Supplementary File 2 Table S1. Drug prediction analysis on 19 ultraviolet-related gene signatures associated with melanoma prognosis Rank Score Type ID Name Description CMap Class Target Mechanism of action 16 99.93 cp BRD-K64310881 MW-STK33-3B Potassium channel activator Potassium channel activator 17 99.93 cp BRD-A10969569 ambelline Plant alkaloid Plant alkaloid 27 99.89 cp BRD-K93331255 lypressin Vasopressin receptor agonist AVPR1A, AVPR1B, AVPR2 Vasopressin receptor agonist 62 99.79 cp BRD-K98763141 niflumic-acid Cyclooxygenase inhibitor CLCNKA, PTGS2, ANO1, CLCN1, CLCNKB, KCNQ1, PLA2G1B, PLA2G4A, PTGS1, UGT1A9 Cyclooxygenase inhibitor 67 99.75 cp BRD-K70577657 H-9 PKA inhibitor PRKACA PKA inhibitor 73 99.68 cp BRD-K59773493 benzohydroxamic-acid Antifungal Antifungal 82 99.68 cp BRD-K67080878 milrinone Phosphodiesterase inhibitor PDE3A, PDE2A, PDE3B, PDE5A Phosphodiesterase inhibitor 88 99.65 cp BRD-A28856712 tetryzoline Adrenergic receptor agonist Adrenergic receptor agonist 89 99.65 cp BRD-K85133207 HDAC1-selective HDAC inhibitor HDAC inhibitor 92 99.61 cp BRD-K85925969 zalcitabine Nucleoside reverse transcriptase inhibitor Nucleoside reverse transcriptase inhibitor 103 99.58 cp BRD-K29458283 chlorambucil DNA inhibitor DNA inhibitor 113 99.51 cp BRD-K18855837 varenicline Acetylcholine receptor agonist CHRNA4, CHRNA3, CHRNA6, CHRNA7, CHRNB2 Acetylcholine receptor agonist 120 99.47 cp BRD-K81783531 VX-222 HCV inhibitor HCV inhibitor 126 99.44 cp BRD-K37080523 isoreserpine Vesicular monoamine transporter inhibitor SLC18A2, SLC18A1, SIAH1 Vesicular monoamine transporter inhibitor 129 99.42 cp BRD-K81528515 nilotinib ABL inhibitor ABL1, KIT, BCR, CYP2B6, CYP2C8, DDR1, DDR2, PDGFRA ABL inhibitor, BCR-ABL kinase inhibitor 133 99.41 cp BRD-K84085265 CG-930 JNK inhibitor MAPK8 JNK inhibitor 140 99.37 cp BRD-A41145729 methoprene-acid Retinoid receptor agonist NCOA2, NR1H3, RXRA, RXRB Retinoid receptor agonist 149 99.33 cp BRD-A52588987 SKF-83566 Dopamine receptor antagonist DRD1, DRD5 Dopamine receptor antagonist 150 99.33 cp BRD-A29082194 gitoxigenin ATPase inhibitor ATP1A1 ATPase inhibitor 151 99.32 cp BRD-K09668667 benzo(a)pyrene Carcinogen Carcinogen 160 99.3 cp BRD-A83237092 fulvestrant Estrogen receptor antagonist ESR1, EPHX2, ESR2, GPER1 Estrogen receptor antagonist 161 99.3 cp BRD-K40887525 ritanserin Serotonin receptor antagonist HTR2A, HTR2C, HTR2B, ADRA1A, ADRA1B, ADRA1D, HTR1A, HTR1B, HTR1D, HTR5A, HTR6, HTR7 Serotonin receptor antagonist 175 99.23 cp BRD-A32349859 methyl-angolensate Apoptosis inhibitor HTR2B Apoptosis inhibitor 179 99.21 cp BRD-K35483542 alitretinoin Retinoid receptor agonist RARG, RARA, RARB, RXRA, RXRG, ABCA1, CYP2C8, CYP3A7, RXRB, VKORC1 Retinoid receptor agonist 182 99.19 cp BRD-K31542390 mycophenolic-acid Dehydrogenase inhibitor IMPDH1, IMPDH2 Dehydrogenase inhibitor, Inositol monophosphatase inhibitor 187 99.15 cp BRD-K43797669 genistein Tyrosine kinase inhibitor CFTR, ESR2, EGFR, ESR1, ESRRA, ESRRB, ESRRG, NCOA1, NCOA2, PPARG, PTK2B, TOP2A, TRPC5 Tyrosine kinase inhibitor 188 99.13 cp BRD-K97509413 coumestrol Estrogen receptor agonist ESR1, ESR2 Estrogen receptor agonist 193 99.12 cp BRD-K92428153 mycophenolate-mofetil Dehydrogenase inhibitor IMPDH1, IMPDH2, HCAR2 Dehydrogenase inhibitor, Hydroxycarboxylic acid receptor agonist, Immunosuppressant, Inosine monophosphate dehydrogenase inhibitor, Inositol monophosphatase inhibitor 196 99.08 cp BRD-K19462402 buflomedil Adrenergic receptor antagonist CACNA1C Adrenergic receptor antagonist, Calcium channel blocker 197 99.08 cp BRD-K80672993 M2-PK-activator -666 PKM -666 198 99.08 cp BRD-K02113016 olaparib PARP inhibitor PARP1, PARP2, PARP3 PARP inhibitor 205 99.01 cp BRD-K61691971 avrainvillamide-analog-1 nucleophosmin inhibitor NPM1 nucleophosmin inhibitor 206 99.01 cp BRD-K13356952 methazolamide Carbonic anhydrase inhibitor CA1, CA2, CA4, CA7, CA12, CA14, INS Carbonic anhydrase inhibitor 207 99.01 cp BRD-K41903098 diphenoxylate Opioid receptor agonist OPRM1, OPRD1 Opioid receptor agonist 209 99.01 cp BRD-A32161980 carbetocin Oxytocin receptor agonist OXTR Oxytocin receptor agonist 220 98.91 cp BRD-K45542189 diethylcarbamazine Lipoxygenase inhibitor ALOX5, PTGS1 Lipoxygenase inhibitor 221 98.91 cp BRD-K47983010 BX-795 IKK inhibitor PDPK1, CDK2, CHEK1, GSK3B, IKBKE, KDR, PDK1, TBK1 IKK inhibitor 225 98.89 cp BRD-A07395371 esmolol Adrenergic receptor antagonist ADRB1 Adrenergic receptor antagonist 226 98.89 cp BRD-K69032158 diprotin-a Dipeptidyl peptidase inhibitor DPP4 Dipeptidyl peptidase inhibitor 229 98.87 cp BRD-K18619710 digoxigenin Steroid ATP1A1 Steroid 236 98.8 cp BRD-K97181089 amiloride Sodium channel blocker SCNN1A, ASIC1, ASIC2, SCNN1B, SCNN1G, AOC1, ASIC3, PKD2, PKD2L1, PLAU, SCNN1D, SLC9A1, TRPC7, TRPV2 Sodium channel blocker 238 98.77 cp BRD-A41301928 bongkrek-acid Mitochondrial ADP, ATP translocase inhibitor SLC25A4 Mitochondrial ADP, ATP translocase inhibitor 243 98.73 cp BRD-K84595254 strophanthidin ATPase inhibitor ATP1A1, ATP1A2, ATP1A3, ATP1A4, ATP1B1, ATP1B2, ATP1B3, ATP1B4, FXYD2 ATPase inhibitor 244 98.73 cp BRD-K15108141 gemcitabine Ribonucleotide reductase inhibitor RRM1, CMPK1, RRM2, TYMS Ribonucleotide reductase inhibitor 247 98.7 cp BRD-K92731339 perindopril ACE inhibitor ACE ACE inhibitor 248 98.7 cp BRD-A63998256 helveticoside ATPase inhibitor ATP1A1 ATPase inhibitor 251 98.68 cp BRD-A89434049 sarmentogenin ATPase inhibitor ATP1A1 ATPase inhibitor 254 98.66 cp BRD-K63828191 raloxifene Estrogen receptor antagonist ESR1, ESR2, ACVRL1, ENG Estrogen receptor antagonist, Selective estrogen receptor modulator (SERM) 258 98.63 cp BRD-A02710418 meptazinol Opioid receptor agonist BCHE Opioid receptor agonist 260 98.63 cp BRD-K75089421 procainamide Sodium channel blocker SCN5A, DNMT1 Sodium channel blocker 266 98.58 cp BRD-A48720949 testosterone androgen receptor agonist AR, CYP19A1, CYP2C19, CYP2C8, CYP3A5 androgen receptor agonist 269 98.56 cp BRD-K56064827 EI-273 PKC inhibitor PRKCA, PRKCG PKC inhibitor 270 98.56 cp BRD-A94756469 digoxin ATPase inhibitor ATP1A1, ABCB1, RORC, SLCO1B3 ATPase inhibitor 271 98.56 cp BRD-A62184259 cycloheximide Protein synthesis inhibitor GSK3B, RPL3 Protein synthesis inhibitor 275 98.54 cp BRD-K72222507 quinapril ACE inhibitor ACE ACE inhibitor 277 98.52 cp BRD-A80502530 cinobufagin ATPase inhibitor ATP1A1, ATP1A2, ATP1A3, ATP1A4, ATP1B1, ATP1B2, ATP1B3, ATP1B4, FXYD2 ATPase inhibitor 278 98.52 cp BRD-K08547377 irinotecan Topoisomerase inhibitor TOP1, CYP3A5, TOP1MT Topoisomerase inhibitor 281 98.48 cp BRD-K14329163 BAY-K8644 Calcium channel activator CACNA1C Calcium channel activator, L-type calcium channel activator 282 98.48 cp BRD-K04546108 JAK3-inhibitor-VI JAK inhibitor JAK3 JAK inhibitor 284 98.45 cp BRD-K33106058 cytarabine Ribonucleotide reductase inhibitor POLB, POLA1 Ribonucleotide reductase inhibitor 285 98.45 cp BRD-K64451768 GANT-58 GLI antagonist DHH, GLI1, IHH GLI antagonist 286 98.45 cp BRD-K91243525 SR-142948 Neurotensin receptor antagonist NTSR1 Neurotensin receptor antagonist 287 98.45 cp BRD-A70514680 articaine Local anesthetic Local anesthetic 293 98.41 cp BRD-K49669041 BX-912 Pyruvate dehydrogenase kinase inhibitor PDPK1, AKT2, CDK2, CHEK1, GSK3B, KDR, PDK1 Pyruvate dehydrogenase kinase inhibitor 296 98.38 cp BRD-K48168960 propylthiouracil Thyroid peroxidase inhibitor TPO, DIO1 Thyroid peroxidase inhibitor 299 98.34 cp BRD-K59256312 gabexate Serine protease inhibitor PRSS1, TPSAB1 Serine protease inhibitor 300 98.34 cp BRD-A45333398 periplocymarin Apoptosis stimulant Apoptosis stimulant 301 98.34 cp BRD-A48237631 mitomycin-c DNA alkylating agent DNA alkylating agent, DNA inhibitor, DNA synthesis inhibitor 302 98.34 cp BRD-A92670106 tocainide Sodium channel blocker SCN5A Sodium channel blocker 306 98.31 cp BRD-K04466929 Merck60 HDAC inhibitor HDAC1, HDAC2 HDAC inhibitor 307 98.31 cp BRD-A52650764 ingenol PKC activator PRKCD, PRKCE PKC activator 311 98.27 cp BRD-K63606607 bufalin ATPase inhibitor ATP1A1 ATPase inhibitor 312 98.27 cp BRD-A68930007 ouabain ATPase inhibitor ATP1A1, ATP1A2, ATP1A3, ATP1A4, ATP1B1, ATP1B2, ATP1B3, ATP1B4, FXYD2 ATPase inhibitor 316 98.16 cp BRD-A41112154 oleanolic-acid G protein-coupled receptor agonist G protein-coupled receptor agonist 319 98.14 cp BRD-K02227374 milnacipran Serotonin reuptake inhibitor SLC6A2, SLC6A4, GRIN1, GRIN2A, GRIN2B, GRIN2C, GRIN2D, GRIN3A, GRIN3B Serotonin reuptake inhibitor 321 98.13 cp BRD-K73196317 urapidil Adrenergic receptor antagonist HTR1A Adrenergic receptor antagonist 323 98.1 cp BRD-K34098590 tienilic-acid Sodium/potassium/chloride transporter inhibitor CYP2C9, SLC12A1, SLC22A12 Sodium/potassium/chloride transporter inhibitor 331 97.97 cp BRD-A15079084 phorbol-12-myristate-13-acetate PKC activator CD4, KCNT2, PRKCA, TRPV4 PKC activator 335 97.92 cp BRD-A34806832 proscillaridin ATPase inhibitor ATP1A1 ATPase inhibitor 339 97.91 cp BRD-K95309561 dienestrol Estrogen receptor agonist ESR1 Estrogen receptor agonist 341 97.89 cp BRD-A36630025 SN-38 Topoisomerase inhibitor TOP1 Topoisomerase inhibitor 342 97.89 cp BRD-A71459254 cymarin ATPase inhibitor ATP1A1 ATPase inhibitor 351 97.82 cp BRD-A64228451 terreic-acid BTK inhibitor BTK BTK inhibitor 353 97.82 cp BRD-K93034159 cladribine Adenosine deaminase inhibitor ADA, PNP, POLA1, POLE, POLE2, POLE3, POLE4, RRM1, RRM2, RRM2B Adenosine deaminase inhibitor, Ribonucleoside reductase inhibitor 358 97.74 cp BRD-A93236127 digitoxin ATPase inhibitor ATP1A1 ATPase inhibitor 363 97.7 cp BRD-K18518344 digitoxigenin ATPase inhibitor ATP1A1 ATPase inhibitor 366 97.67 cp BRD-K14993104 bemegride Chemoreceptor agonist GABRA1 Chemoreceptor agonist 371 97.62 cp BRD-K92049597 triamterene Sodium channel blocker SCNN1A, SCNN1B, SCNN1G, SCNN1D Sodium channel blocker 376 97.56 cp BRD-K83597974 pargyline Monoamine oxidase inhibitor MAOB, MAOA Monoamine oxidase inhibitor 377 97.56 cp BRD-K67445247 flurofamide Urease inhibitor Urease inhibitor 378 97.56 cp BRD-K93658967 aloisine CDK inhibitor CDK2, CDK5, CDK1, CDK5R1, CFTR, PTK2B, ZAP70 CDK inhibitor, CFTR channel agonist, Glycogen synthase kinase inhibitor 381 97.54 cp BRD-K72903603 zidovudine Reverse transcriptase inhibitor TERT Reverse transcriptase inhibitor 382 97.53 cp BRD-A33168282 sotalol Adrenergic receptor antagonist ADRB1, ADRB2, KCNH2 Adrenergic receptor antagonist 383 97.52 cp BRD-K11107424 tiotidine Histamine receptor antagonist HRH2 Histamine receptor antagonist 388 97.47 cp BRD-K54529596 captopril ACE inhibitor ACE, LTA4H, MMP2, MMP9 ACE inhibitor 394 97.42 cp BRD-K54708045 nTZDpa PPAR receptor agonist PPARG PPAR receptor agonist 404 97.36 cp BRD-K68392338 ZK-93426 Benzodiazepine receptor antagonist GABRA1, GABRA2, GABRA3, GABRA5 Benzodiazepine receptor antagonist 409 97.29 cp BRD-K62012036 acitretin Retinoid receptor agonist RARA, RARB, RARG, RBP1, RXRA, RXRB, RXRG, STAT3 Retinoid receptor agonist 410 97.29 cp BRD-K81709173 halcinonide Glucocorticoid receptor agonist NR3C1 Glucocorticoid receptor agonist 413 97.29 cp BRD-K07691486 roscovitine CDK inhibitor CDK2, CDK9, CDK7, CDK1, CDK5 CDK inhibitor 421 97.2 cp BRD-A29260609 acebutolol Adrenergic receptor antagonist ADRB1, ADRB2 Adrenergic receptor antagonist 431 97.06 cp BRD-K87919739 tyrphostin-AG-825 Receptor tyrosine protein kinase inhibitor ERBB2 Receptor tyrosine protein kinase inhibitor 433 97.04 cp BRD-K91145395 prostratin PKC activator PRKCA, PRKCB, PRKCD, PRKCE, PRKCG, PRKCH, PRKCQ PKC activator 435 96.99 cp BRD-K37846922 3,3'-diindolylmethane CHK inhibitor AHR, AR, CYP1A2, GUSB, IDO1 CHK inhibitor, Cytochrome P450 activator, Indoleamine 2,3-dioxygenase inhibitor 439 96.95 cp BRD-K52020312 metronidazole DNA inhibitor CYP2C8, CYP2E1, CYP3A5, CYP3A7 DNA inhibitor, Antiprotozoal 442 96.93 cp BRD-A36707673 hydroxycholesterol LXR agonist ABCA1, NR1H2, NR1H3 LXR agonist 443 96.93 cp BRD-K04853698 LDN-193189 Serine/threonine kinase inhibitor ACVR1, BMPR1A Serine/threonine kinase inhibitor 446 96.88 cp BRD-K88742110 BRD-K88742110 HDAC inhibitor HDAC8, IL1B HDAC inhibitor 447 96.86 cp BRD-A35588707 teniposide Topoisomerase inhibitor TOP2A, CYP3A5 Topoisomerase inhibitor 459 96.72 cp BRD-K28907958 CD-437 Retinoid receptor agonist RARG Retinoid receptor agonist 468 96.65 cp BRD-K32744045 disulfiram Aldehyde dehydrogenase inhibitor ALDH2, ALDH1A2, ALDH5A1, ALDH7A1, CYP2E1, DBH, DNMT1, TRPA1 Aldehyde dehydrogenase inhibitor, TRPV agonist, DNA methyltransferase inhibitor 469 96.65 cp BRD-U82589721 HG-5-113-01 Protein kinase inhibitor ABL1, LTK, STK10 Protein kinase inhibitor 470 96.65 cp BRD-K68558722 deracoxib Cyclooxygenase inhibitor PTGS2 Cyclooxygenase inhibitor 471 96.64 cp BRD-K36258877 AZ-10417808 Caspase inhibitor CASP3 Caspase inhibitor 474 96.62 cp BRD-K69688083 mestinon Cholinesterase inhibitor ACHE, BCHE Cholinesterase inhibitor 477 96.6 cp BRD-A85472596 L-670596 Prostanoid receptor antagonist Prostanoid receptor antagonist 480 96.58 cp BRD-K99749624 linifanib PDGFR receptor inhibitor CSF1R, KDR, PDGFRB, FLT1, FLT3, FLT4, CSF1, KIT, PDGFRA, RET, TEK PDGFR receptor inhibitor, VEGFR inhibitor 483 96.55 cp BRD-K55677650 CO-101244 Ionotropic glutamate receptor antagonist GRIN2B Ionotropic glutamate receptor antagonist 496 96.37 cp BRD-K79425933 benperidol Dopamine receptor antagonist DRD2 Dopamine receptor antagonist 504 96.3 cp BRD-A74904029 EI-231 Casein kinase inhibitor CSNK2A1, CSNK2A2, CSNK2B Casein kinase inhibitor 509 96.28 cp BRD-A85860691 chaetocin Histone lysine methyltransferase inhibitor EHMT2, SUV39H1 Histone lysine methyltransferase inhibitor 516 96.17 cp BRD-A92439610 triamcinolone Glucocorticoid receptor agonist NR3C1, CYP3A5, CYP3A7, SERPINA6 Glucocorticoid receptor agonist 525 96.08 cp BRD-K15933101 ropinirole Dopamine receptor agonist DRD2, DRD3, ADRA2A, ADRA2B, ADRA2C, DRD1, DRD4, DRD5, HTR1A, HTR1B, HTR1D, HTR2A, HTR2B, HTR2C Dopamine receptor agonist 541 95.7 cp BRD-M00539986 formoterol Adrenergic receptor agonist ADRB2, CYP2C19 Adrenergic receptor agonist 543 95.7 cp BRD-A42628519 iopanoic-acid Radiopaque medium Radiopaque medium 557 95.49 cp BRD-K89687904 PKCbeta-inhibitor PKC inhibitor PRKCB PKC inhibitor 561 95.4 cp BRD-K15502390 nevirapine Reverse transcriptase inhibitor CYP2B6, CYP2C19, CYP3A4 Reverse transcriptase inhibitor 567 95.35 cp BRD-K67977190 eprosartan Angiotensin receptor antagonist AGTR1 Angiotensin receptor antagonist 570 95.33 cp BRD-K05977355 fluconazole Sterol demethylase inhibitor CYP3A5, CYP3A7 Sterol demethylase inhibitor 571 95.32 cp BRD-K84663978 trequinsin Phosphodiesterase inhibitor PDE4A, PDE4B, PDE4C, PDE4D, PDE5A, PTGIR Phosphodiesterase inhibitor 572 95.32 cp BRD-K15592317 CP466722 ATM kinase inhibitor ATM ATM kinase inhibitor 576 95.25 cp BRD-K89839824 raltitrexed Thymidylate synthase inhibitor TYMS, FPGS Thymidylate synthase inhibitor 577 95.25 cp BRD-K48427617 U-0124 MEK inhibitor MEK inhibitor 579 95.23 cp BRD-K98490050 amsacrine Topoisomerase inhibitor TOP2A, KCNH2 Topoisomerase inhibitor 581 95.22 cp BRD-A65767837 hydrocortisone Glucocorticoid receptor agonist ANXA1, NOS2, NR3C1, NR3C2 Glucocorticoid receptor agonist 582 95.22 cp BRD-A27554692 altrenogest Progestogen hormone PGR Progestogen hormone 586 95.18 cp BRD-A14208071 oxyphenonium Cholinergic receptor antagonist CHRM1 Cholinergic receptor antagonist 588 95.15 cp BRD-K08252256 diclofenac Cyclooxygenase inhibitor PTGS1, PTGS2, AKR1C3, ALOX5, ASIC1, ASIC3, CYP2C8, KCNQ2, KCNQ3, PLA2G2A, PPARG, SCN4A Cyclooxygenase inhibitor 594 95 cp BRD-K06593056 LE-135 Retinoid receptor agonist RARB Retinoid receptor agonist 595 94.99 cp BRD-K77641333 naphazoline Adrenergic receptor agonist ADRA1A, ADRA2A Adrenergic receptor agonist 599 94.94 cp BRD-K52313696 tacedinaline HDAC inhibitor HDAC1 HDAC inhibitor 600 94.91 cp BRD-K20152659 gamma-homolinolenic-acid Cholesterol inhibitor PTGS1, PTGS2 Cholesterol inhibitor, Platelet aggregation inhibitor, Prostanoid receptor agonist, Prostanoid receptor stimulant 606 94.79 cp BRD-K52735702 cefdinir Bacterial cell wall synthesis inhibitor MPO Bacterial cell wall synthesis inhibitor 608 94.78 cp BRD-K52662033 lidocaine Histamine receptor agonist SCN5A, EGFR, SCN10A, SCN9A Histamine receptor agonist 609 94.77 cp BRD-A87606379 nadolol Adrenergic receptor antagonist ADRB1, ADRB2, ADRB3 Adrenergic receptor antagonist 610 94.76 cp BRD-K46211610 tolazoline Adrenergic receptor antagonist ADRA2A, ADRA2B, ADRA2C, ADRA1A, HRH1, HRH2 Adrenergic receptor antagonist 612 94.75 cp BRD-K85090592 pilocarpine Acetylcholine receptor agonist CHRM3, CHRM1, CHRM2, CHRM4, CHRM5 Acetylcholine receptor agonist 613 94.75 cp BRD-K94353609 fluocinolone Glucocorticoid receptor agonist NR3C1, SERPINA6 Glucocorticoid receptor agonist, Corticosteroid agonist 614 94.75 cp BRD-K59184148 SB-216763 Glycogen synthase kinase inhibitor GSK3B, CCNA2, CDK2, GSK3A Glycogen synthase kinase inhibitor 624 94.58 cp BRD-K37561857 zardaverine Phosphodiesterase inhibitor PDE4D, PDE3A, PDE4A, PDE4B, PDE4C Phosphodiesterase inhibitor 625 94.58 cp BRD-K54094468 remoxipride Dopamine receptor antagonist DRD2, DRD3, DRD4, HTR2A, SIGMAR1 Dopamine receptor antagonist 626 94.57 cp BRD-K13514097 everolimus MTOR inhibitor MTOR, CYP3A5, FKBP1A MTOR inhibitor 627 94.57 cp BRD-K91442916 CAM-9-026 Membrane metalloendopeptidase inhibitor Membrane metalloendopeptidase inhibitor 628 94.57 cp BRD-K63550407 erythromycin NFkB pathway inhibitor CYP3A4, MLNR NFkB pathway inhibitor 629 94.53 cp BRD-K46018455 bezafibrate PPAR receptor agonist PPARA, PPARD, PPARG, HSD11B1, LPL PPAR receptor agonist 638 94.4 cp BRD-A13807286 HA-14-1 BCL inhibitor BCL2 BCL inhibitor 647 94.34 cp BRD-A53952395 prilocaine Local anesthetic SCN5A Local anesthetic 652 94.28 cp BRD-K10466330 AVA Nucleophosmin inhibitor Nucleophosmin inhibitor 658 94.26 cp BRD-K92870997 pterostilbene Cyclooxygenase inhibitor FAAH, PPARA, PTGS1, PTGS2 Cyclooxygenase inhibitor, PPAR receptor agonist 663 94.23 cp BRD-K66412701 pazufloxacin Topoisomerase inhibitor Topoisomerase inhibitor 666 94.18 cp BRD-A44090213 indoprofen Cyclooxygenase inhibitor PTGS1, PTGS2, CXCR1, CXCR2 Cyclooxygenase inhibitor, Prostanoid receptor antagonist 668 94.16 cp BRD-K19894101 MST-312 Telomerase inhibitor TERT Telomerase inhibitor 669 94.15 cp BRD-K44067360 flufenamic-acid Chloride channel blocker AKR1C3, AR, PTGS1, PTGS2, ANO1, GJA1, GJA10, GJA3, GJA4, GJA5, GJA8, GJA9, GJB1, GJB2, GJB3, GJB4, GJB5, GJB6, GJB7, GJC1, GJC2, GJC3, GJD2, GJD3, GJD4, GJE1, PANX1, PANX2, PANX3, PKD2L1, TRPC5, TRPM2, TRPM5 Chloride channel blocker 670 94.13 cp BRD-K70241288 L-692585 Growth hormone releasing peptide ligand agonist GH1, GHSR Growth hormone releasing peptide ligand agonist 671 94.12 cp BRD-K89708791 rifaximin RNA synthesis inhibitor NR1I2, CYP3A4 RNA synthesis inhibitor 673 94.09 cp BRD-K79877282 PF-543 Sphingosine kinase inhibitor SPHK1 Sphingosine kinase inhibitor 677 94.06 cp BRD-A00100033 nifurtimox DNA inhibitor DNA inhibitor 680 94.05 cp BRD-K73982490 BI-78D3 JNK inhibitor MAPK8 JNK inhibitor 689 93.94 cp BRD-K43796186 benzyl-quinazolin-4-yl-amine EGFR inhibitor EGFR EGFR inhibitor 701 93.81 cp BRD-K01663662 diphenidol Acetylcholine receptor agonist CHRM1, CHRM3, CHRM4, CHRM2 Acetylcholine receptor agonist 705 93.75 cp BRD-K08273968 griseofulvin Tubulin inhibitor KRT12 Tubulin inhibitor 711 93.67 cp BRD-K50866992 tropisetron Serotonin receptor antagonist HTR3A, GLRA1, GLRA2, GLRB, HTR4 Serotonin receptor antagonist 713 93.64 cp BRD-K81376179 TCS-359 FLT3 inhibitor FLT3 FLT3 inhibitor 714 93.63 cp BRD-K24681473 YM-155 Survivin inhibitor BIRC5 Survivin inhibitor 716 93.63 cp BRD-K33453211 levocabastine Histamine receptor antagonist HRH1, NTSR2 Histamine receptor antagonist 728 93.43 cp BRD-K39569857 avrainvillamide-analog-3 nucleophosmin inhibitor NPM1 nucleophosmin inhibitor 734 93.36 cp BRD-K41707108 ceramide Phosphoenolpyruvate carboxylase activator Phosphoenolpyruvate carboxylase activator, Serine/threonine protein phosphatase activator 736 93.33 cp BRD-K18742343 H-8 PKA inhibitor PKIA, PRKACA PKA inhibitor 741 93.24 cp BRD-K32696739 noreleagnine Monoamine oxidase inhibitor ADRA2A, ADRA2B, ADRA2C, HTR2A, MAOA, MAOB Monoamine oxidase inhibitor, Serotonin receptor agonist 744 93.16 cp BRD-A13188892 doxazosin Adrenergic receptor antagonist ADRA1D, ADRA1A, ADRA1B, CYP2C19, KCNH2, KCNH6, KCNH7 Adrenergic receptor antagonist 745 93.15 cp BRD-A74907996 equol Estrogen receptor agonist ESR2, ESR1 Estrogen receptor agonist 754 93.07 cp BRD-K44899736 RO-16-6941 Monoamine oxidase inhibitor Monoamine oxidase inhibitor 763 92.97 cp BRD-K08206212 entecavir Reverse transcriptase inhibitor Reverse transcriptase inhibitor, DNA replication inhibitor 767 92.94 cp BRD-K64514229 toltrazuril Antiprotozoal Antiprotozoal 773 92.88 cp BRD-A70731303 avrainvillamide-analog-5 nucleophosmin inhibitor NPM1 nucleophosmin inhibitor 777 92.86 cp BRD-K82731415 olomoucine CDK inhibitor CDK1, CDK2, CDK5, MAPK1 CDK inhibitor 783 92.71 cp BRD-K09497549 kawain Calcium channel modulator MTOR Calcium channel modulator, MTOR inhibitor, Sodium channel blocker 786 92.64 cp BRD-A87719232 naproxen Cyclooxygenase inhibitor PTGS2, PTGS1 Cyclooxygenase inhibitor 790 92.58 cp BRD-K19227686 phenolphthalein Indicator dye Indicator dye 792 92.57 cp BRD-K46469693 SCH-442416 Adenosine receptor antagonist ADORA1, ADORA2A, ADORA2B, ADORA3 Adenosine receptor antagonist 793 92.56 cp BRD-A25687296 emetine Protein synthesis inhibitor RPS2 Protein synthesis inhibitor 801 92.43 cp BRD-K37720887 SB-525334 TGF beta receptor inhibitor TGFBR1 TGF beta receptor inhibitor 806 92.3 cp BRD-A45664787 iloprost Platelet aggregation inhibitor PTGIR, PTGER1, PTGER2, PDE4A, PDE4B, PDE4C, PDE4D, PLAT, PTGDR, PTGER3, PTGER4, PTGFR, TBXA2R Platelet aggregation inhibitor, Prostanoid receptor agonist 809 92.27 cp BRD-K67680372 CI-966 GAT inhibitor SLC6A1 GAT inhibitor 810 92.23 cp BRD-A39230911 chlorphensin Muscle relaxant Muscle relaxant 811 92.23 cp BRD-K28470988 L-690330 Inositol monophosphatase inhibitor IMPA1 Inositol monophosphatase inhibitor 813 92.17 cp BRD-K56745457 azauridine Antiviral Antiviral 814 92.14 cp BRD-K81062487 taurocholic-acid Bile acid CEL, FXR, NR1H4, FABP6, SLCO1C1 Bile acid 820 92.04 cp BRD-K06792661 narciclasine Coflilin signaling pathway activator RHOA Coflilin signaling pathway activator, LIM kinase activator, Rho associated kinase activator 821 92.02 cp BRD-K66874953 pifithrin-alpha TP53 inhibitor TP53 TP53 inhibitor 827 91.91 cp BRD-K63533170 AM-630 Cannabinoid receptor antagonist CNR2, CNR1 Cannabinoid receptor antagonist 836 91.77 cp BRD-K45117373 Y-26763 Potassium channel activator ABCC9, KCNJ8 Potassium channel activator 838 91.72 cp BRD-A82656074 naltrindole Opioid receptor antagonist OPRD1, OPRK1, OPRM1 Opioid receptor antagonist 845 91.51 cp BRD-A59303141 quinethazone Thiazide diuretic CA1, CA2, SLC12A1, SLC12A2, SLC12A3 Thiazide diuretic 849 91.45 cp BRD-A01346607 flumetasone Glucocorticoid receptor agonist NR3C1, PLA2G1B Glucocorticoid receptor agonist 851 91.4 cp BRD-A15010982 HU-211 Glutamate receptor antagonist CNR1, CNR2, GLRA1, GLRA2, GLRA3, GPR55, GRIN1, NFKB1 Glutamate receptor antagonist 854 91.37 cp BRD-K70401845 erlotinib EGFR inhibitor EGFR, NR1I2 EGFR inhibitor 858 91.3 cp BRD-K37516142 idebenone Calcium channel modulator Calcium channel modulator 859 91.3 cp BRD-A22684332 procaterol Adrenergic receptor agonist ADRB2 Adrenergic receptor agonist 864 91.29 cp BRD-A97437073 rosiglitazone Insulin sensitizer PPARG, ACSL4, CYP2C8, FFAR1, INS, TRPC5, TRPM3 Insulin sensitizer, PPAR receptor agonist 870 91.22 cp BRD-K67439147 SIB-1893 Glutamate receptor antagonist GRM5, GRM4 Glutamate receptor antagonist 872 91.19 cp BRD-K83837640 JNJ-26854165 HDAC inhibitor HDAC1, HDAC10, HDAC11, HDAC2, HDAC3, HDAC4, HDAC5, HDAC6, HDAC7, HDAC8, HDAC9, MDM2 HDAC inhibitor 875 91.17 cp BRD-A82371568 clofarabine Ribonucleoside reductase inhibitor RRM1, POLA1, RRM2, SLC22A8 Ribonucleoside reductase inhibitor 877 91.16 cp BRD-K25224017 pirenperone Serotonin receptor antagonist HTR2A, HTR7 Serotonin receptor antagonist 878 91.15 cp BRD-K83023055 GR-135531 Melatonin receptor agonist Melatonin receptor agonist 881 91.07 cp BRD-A31007383 SDZ-WAG-994 Adenosine receptor agonist ADORA1 Adenosine receptor agonist 883 91.03 cp BRD-A13946108 sulindac Cyclooxygenase inhibitor AKR1B1, PTGS1, PTGS2, MAPK3, PPARD, PTGDR2 Cyclooxygenase inhibitor 890 90.88 cp BRD-K64785675 TG100-115 -666 PIK3CG, PIK3CA, PIK3CB, PIK3CD -666 892 90.87 cp BRD-A95445494 maackiain Sodium/glucose cotransporter inhibitor SLC5A2 Sodium/glucose cotransporter inhibitor 908 90.61 cp BRD-A02481876 importazole Importin-beta transport receptor inhibitor KPNB1 Importin-beta transport receptor inhibitor 909 90.61 cp BRD-K11158509 tyrphostin-B44 EGFR inhibitor EGFR inhibitor 912 90.58 cp BRD-K37312348 kenpaullone CDK inhibitor GSK3B, CDK1, CDK5, CCNB1, CDK2, LCK CDK inhibitor, Glycogen synthase kinase inhibitor 913 90.57 cp BRD-A72758037 asiatic-acid Apoptosis stimulant PYGM Apoptosis stimulant 914 90.57 cp BRD-A47494775 dipivefrine Adrenergic receptor agonist ADRA1A, ACHE, ADRA2A, ADRB2, BCHE Adrenergic receptor agonist 915 90.56 cp BRD-K73319509 PF-04217903 c-Met inhibitor MET c-Met inhibitor 918 90.55 cp BRD-K76723084 isotretinoin Retinoid receptor agonist CYP2B6, CYP2C19, CYP2C8, CYP3A5, CYP3A7, NR2C2, PPARD, RARA, RARB, RARG, RORB, RORC Retinoid receptor agonist 921 90.54 cp BRD-K01555864 dibenzoylmethane Antineoplastic Antineoplastic 932 90.31 cp BRD-K26015241 ODQ Guanylyl cyclase inhibitor GUCY1A2, GUCY1A3, GUCY1B3 Guanylyl cyclase inhibitor 935 90.27 cp BRD-K62792802 LY-83583 Guanylyl cyclase inhibitor GUCY1A2 Guanylyl cyclase inhibitor 937 90.24 cp BRD-K62982419 cilomilast Phosphodiesterase inhibitor PDE4A, PDE4B, PDE4D, IL12A, IL12B, IL1B, PDE4C, TNF Phosphodiesterase inhibitor 940 90.14 cp BRD-A04308630 genipin Choleretic agent Choleretic agent 941 90.12 cp BRD-K86727142 embelin HCV inhibitor XIAP HCV inhibitor, XIAP inhibitor 952 89.99 cp BRD-K43880410 pregnenolone glutamate receptor modulator CYP17A1, PGR, SULT2B1 glutamate receptor modulator 953 89.97 cp BRD-A42759514 ornidazole Antiprotozoal Antiprotozoal 954 89.96 cp BRD-K32830106 guanfacine Adrenergic receptor agonist ADRA2A, ADRA2B, ADRA2C, CYP3A5, HCN1, HCN2, HCN3, HCN4 Adrenergic receptor agonist 962 89.84 cp BRD-A07000685 hydrocortisone Glucocorticoid receptor agonist ANXA1, NOS2, NR3C1, NR3C2 Glucocorticoid receptor agonist 972 89.69 cp BRD-K63913457 eicosatrienoic-acid Vasodilator Vasodilator 973 89.68 cp BRD-K91370081 anisomycin DNA synthesis inhibitor NHP2L1, RPL10L, RPL11, RPL13A, RPL15, RPL19, RPL23, RPL23A, RPL26L1, RPL3, RPL37, RPL8, RSL24D1 DNA synthesis inhibitor 974 89.65 cp BRD-K23875128 RHO-kinase-inhibitor-III+AFs-rockout+AF0- Rho associated kinase inhibitor IMPDH2, ROCK1 Rho associated kinase inhibitor 977 89.59 cp BRD-K09859624 methantheline Acetylcholine receptor antagonist CHRM1, HRH2 Acetylcholine receptor antagonist 980 89.55 cp BRD-A15297126 fluocinonide Glucocorticoid receptor agonist NR3C1, SERPINA6, SMO Glucocorticoid receptor agonist 982 89.52 cp BRD-A55393291 testosterone Androgen receptor agonist AR, CYP19A1, CYP2C19, CYP2C8, CYP3A5 Androgen receptor agonist 991 89.42 cp BRD-K15600710 obatoclax BCL inhibitor BCL2, BCL2L1, MCL1 BCL inhibitor 992 89.4 cp BRD-K56334280 amonafide Topoisomerase inhibitor TOP2A, TOP2B Topoisomerase inhibitor 993 89.33 cp BRD-K06388322 pramipexole Dopamine receptor agonist DRD3, DRD2, ADRA2A, ADRA2B, ADRA2C, DRD1, DRD4, DRD5, HTR1A, HTR1B, HTR1D, HTR2A, HTR2B, HTR2C Dopamine receptor agonist 994 89.33 cp BRD-K95609758 BMS-191011 Potassium channel activator KCNMA1 Potassium channel activator 995 89.32 cp BRD-K60923938 veratridine Sodium channel activator SCN1A, SCN3A, SCN8A, SCN9A Sodium channel activator 996 89.29 cp BRD-K43887077 dopamine Dopamine receptor agonist DRD2, DRD1, DRD3, DRD4, DRD5, DBH, HTR1A, HTR7, SLC6A2, SLC6A3, SLC6A4 Dopamine receptor agonist 1001 89.22 cp BRD-K90543092 levonorgestrel Estrogen receptor agonist PGR, AR, CYP2E1, ESR1, SRD5A1 Estrogen receptor agonist, Glucocorticoid receptor antagonist, Progesterone receptor agonist, Progesterone receptor antagonist 1004 89.06 cp BRD-K24201553 SB-269970 Serotonin receptor antagonist HTR7 Serotonin receptor antagonist 1007 89.03 cp BRD-A64933752 CV-1808 Adenosine receptor agonist ADORA2A, ADORA2B Adenosine receptor agonist 1010 89 cp BRD-K11663430 pyroxamide HDAC inhibitor HDAC1 HDAC inhibitor 1011 89 cp BRD-K07507905 BRL-37344 Adrenergic receptor agonist ADRB3, ADRB1, ADRB2 Adrenergic receptor agonist 1013 88.99 cp BRD-K13927029 retinol Retinoid receptor ligand ALDH1A1, ALDH1A2, ALDH1A3, DHRS3, DHRS4, LRAT, NR2C2, RBP1, RBP3, RDH11, RDH12, RDH13, RDH14, RDH5, RDH8, RETSAT, RHO, RLBP1, RXRA, RXRB, RXRG Retinoid receptor ligand 1021 88.86 cp BRD-K66788707 fludarabine DNA synthesis inhibitor ADA, DCK, POLA1, RRM1, RRM2 DNA synthesis inhibitor, DNA repair enzyme inhibitor, Purine antagonist 1023 88.84 cp BRD-A81795050 U-18666A Oxidosqualene cyclase inhibitor Oxidosqualene cyclase inhibitor 1026 88.79 cp BRD-K19360254 ergocornine Dopamine receptor agonist DRD2 Dopamine receptor agonist 1028 88.78 cp BRD-A31521121 methocarbamol Muscle relaxant CA1 Muscle relaxant 1029 88.78 cp BRD-A35108200 dexamethasone Glucocorticoid receptor agonist ANXA1, CYP3A4, CYP3A5, NOS2, NR0B1, NR3C1, NR3C2 Glucocorticoid receptor agonist 1031 88.73 cp BRD-K04833372 GSK-1904529A IGF-1 inhibitor IGF1R, INSR IGF-1 inhibitor, IGF-1R inhibitor, Insulin receptor ligand 1034 88.7 cp BRD-A78391468 prednisolone Glucocorticoid receptor agonist NR3C1, NR3C2, SERPINA6 Glucocorticoid receptor agonist 1035 88.69 cp BRD-K60230970 MG-132 Proteasome inhibitor PSMB1 Proteasome inhibitor 1054 88.46 cp BRD-K72093121 vidarabine Antiviral ADCY5 Antiviral 1055 88.44 cp BRD-K40578143 GR-79236 Adenosine receptor agonist ADORA1, ADORA2A Adenosine receptor agonist 1058 88.4 cp BRD-K69195780 NAN-190 Serotonin receptor agonist HTR1A, ADRA1A, ADRA1B, ADRA1D, HTR1F Serotonin receptor agonist 1059 88.38 cp BRD-K70281171 U-99194 Dopamine receptor antagonist DRD3 Dopamine receptor antagonist 1066 88.27 cp BRD-A10420615 cyclopiazonic-acid ATPase inhibitor ATP2A1 ATPase inhibitor 1074 88.06 cp BRD-K82143716 flucytosine Antifungal DNMT1 Antifungal 1076 88.02 cp BRD-K96527333 dehydroisoandosterone GABA receptor modulator GABA receptor modulator 1078 88.01 cp BRD-A35033682 eriodictyol Cytochrome P450 inhibitor CYP1B1, NFE2L2, XDH Cytochrome P450 inhibitor 1079 87.99 cp BRD-K82381502 acetylcholine Acetylcholine receptor agonist ACHE, CHRM1, CHRM2, CHRM3, CHRM4, CHRM5, CHRNA2 Acetylcholine receptor agonist 1080 87.98 cp BRD-A42346008 metanephrine Epinephrine metabolite Epinephrine metabolite 1083 87.94 cp BRD-A62890442 3-methyl-GABA GABA aminotransferase activator GABA aminotransferase activator 1092 87.87 cp BRD-K20920669 cromoglicic-acid Immunosuppressant KCNMA1, S100P Immunosuppressant 1093 87.81 cp BRD-U44700465 HG-5-88-01 Protein kinase inhibitor ADCK4, EGFR Protein kinase inhibitor 1095 87.8 cp BRD-A97479839 piperidolate Acetylcholine receptor antagonist CHRM1 Acetylcholine receptor antagonist 1096 87.79 cp BRD-A47633927 NPC-15199 ICAM1 antagonist ICAM1, PPARG ICAM1 antagonist 1104 87.69 cp BRD-K78280988 anandamide Cannabinoid receptor agonist CNR1, CNR2, TRPV1, CACNA1G, CACNA1H, CACNA1I, GLRA1, GPR119, GPR18, GPR55, KCNA2, KCND3, KCNK3, KCNK9, TRPM8 Cannabinoid receptor agonist 1108 87.64 cp BRD-A65440446 cimaterol Adrenergic receptor agonist Adrenergic receptor agonist 1109 87.64 cp BRD-K50388907 fenofibrate PPAR receptor agonist PPARA, APOA1, CYP2C19, CYP2C8, MMP25 PPAR receptor agonist 1110 87.62 cp BRD-K15601958 SEW-2871 Lysophospholipid receptor agonist S1PR1 Lysophospholipid receptor agonist 1118 87.54 cp BRD-K15164005 apoptosis-activator-II Carboxylesterase inhibitor BCHE, CES1 Carboxylesterase inhibitor 1119 87.52 cp BRD-K45252063 clofibrate PPAR receptor agonist PPARA, LPL PPAR receptor agonist 1123 87.47 cp BRD-A03216249 mepivacaine Potassium channel blocker SCN10A, SCN9A Potassium channel blocker, Sodium channel blocker 1125 87.46 cp BRD-K86465814 HO-013 PPAR receptor agonist PPARG PPAR receptor agonist 1127 87.42 cp BRD-A34255068 rolipram Phosphodiesterase inhibitor PDE4A, PDE4B, PDE4D, PDE4C, PDE5A Phosphodiesterase inhibitor, Interleukin receptor antagonist 1132 87.39 cp BRD-A55756846 H-7 PKA inhibitor PKIA, PRKACA, PRKAR1A PKA inhibitor 1134 87.37 cp BRD-A62434282 goserelin Gonadotropin releasing factor hormone receptor agonist GNRHR, GNRH1, LHCGR Gonadotropin releasing factor hormone receptor agonist, Luteinizing hormone releasing hormone agonist 1136 87.33 cp BRD-K55420858 mirin MRE11A exonuclease inhibitor MRE11A MRE11A exonuclease inhibitor 1137 87.33 cp BRD-K31987754 oleylethanolamide Cannabinoid receptor agonist GPR119, CNR1, GPR55, KCND3, PPARA Cannabinoid receptor agonist, Potassium channel blocker, Glucose dependent insulinotropic receptor agonist 1142 87.2 cp BRD-K75615183 talipexole Adrenergic receptor agonist DRD2, HTR3A Adrenergic receptor agonist, Dopamine receptor agonist 1146 87.14 cp BRD-K55191674 benzylpenicillin Penicillin binding protein inhibitor Penicillin binding protein inhibitor 1149 87.06 cp BRD-K02581333 protein-tyrosine-phosphatase-inhibitor-IV Tyrosine phosphatase inhibitor PTPN1, PTPN11 Tyrosine phosphatase inhibitor 1155 86.97 cp BRD-K85985071 ellipticine Topoisomerase inhibitor TOP2A, TOP2B Topoisomerase inhibitor 1162 86.84 cp BRD-K84266862 BRL-50481 Phosphodiesterase inhibitor PDE7A, PDE7B Phosphodiesterase inhibitor 1167 86.71 cp BRD-K36324071 NF-449 Purinergic receptor antagonist P2RX1 Purinergic receptor antagonist 1168 86.71 cp BRD-A74667430 etodolac Cyclooxygenase inhibitor PTGS2, PTGS1, RXRA, TRPV1 Cyclooxygenase inhibitor 1170 86.68 cp BRD-K70505054 ranitidine Histamine receptor antagonist HRH2, SLC22A2 Histamine receptor antagonist 1181 86.53 cp BRD-K66206289 lobeline Acetylcholine receptor antagonist SLC18A2, CHRNA10, CHRNA4, CHRNA9, CHRNB2, OPRM1 Acetylcholine receptor antagonist 1185 86.47 cp BRD-A47513740 calyculin Protein phosphatase inhibitor PPP1CA, PPP1CC, PPP2CA Protein phosphatase inhibitor 1193 86.38 cp BRD-K97810537 beclometasone Glucocorticoid receptor agonist NR3C1, CYP3A5, GPR97, SERPINA6 Glucocorticoid receptor agonist, Immunosuppressant 1195 86.35 cp BRD-K80451230 zamifenacin Acetylcholine receptor antagonist CHRM3 Acetylcholine receptor antagonist 1196 86.32 cp BRD-A72066420 mifobate PPAR receptor antagonist PPARG, REN PPAR receptor antagonist 1199 86.31 cp BRD-K67174588 toremifene Estrogen receptor antagonist ESR1, CYP3A5 Estrogen receptor antagonist, Selective estrogen receptor modulator (SERM) 1206 86.23 cp BRD-K14888893 minoxidil KATP activator KCNJ8, ABCC9, KCNJ1, KCNJ10, KCNJ11, PTGS1, REN KATP activator, KIR6 channel (KATP) activator, Vasodilator 1212 86.15 cp BRD-A83855350 naltrexone Opioid receptor antagonist OPRK1, OPRM1, OPRD1, SIGMAR1 Opioid receptor antagonist 1217 86.08 cp BRD-A02367930 ethinyl-estradiol DNA directed DNA polymerase stimulant CYP2C8, ESR1, ESR2, NR1I2 DNA directed DNA polymerase stimulant, Estrogenic component in oral contraceptives, Estrogen receptor agonist 1223 85.96 cp BRD-K38436528 imipramine Norepinephrine reuptake inhibitor SLC6A2, SLC6A4, CHRM2, ADRA1A, ADRA1B, ADRA1D, CHRM1, CHRM3, CHRM4, CHRM5, CYP2C19, DRD1, DRD2, DRD5, HRH1, HTR1A, HTR2A, HTR2C, HTR6, HTR7, KCND2, KCND3, KCNH1, KCNH2, SLC6A3 Norepinephrine reuptake inhibitor, Serotonin reuptake inhibitor 1225 85.94 cp BRD-K01902415 pirinixic-acid PPAR receptor agonist PPARA PPAR receptor agonist 1228 85.93 cp BRD-K89626439 sirolimus MTOR inhibitor MTOR, FKBP1A, CCR5, FGF2 MTOR inhibitor 1229 85.9 cp BRD-K40742111 baeomycesic-acid Lipoxygenase inhibitor Lipoxygenase inhibitor 1230 85.85 cp BRD-K97399794 quercetin Polar auxin transport inhibitor PIK3CG, AKR1B1, ATP5A1, ATP5B, ATP5C1, CYP2C8, EGFR, GAA, HCK, HIBCH, MAOA, PIM1, PTPN1, SCN5A, SIRT1, STK17B, UGT3A1, XDH Polar auxin transport inhibitor 1235 85.8 cp BRD-K36862742 hydroflumethiazide Sodium/potassium/chloride transporter inhibitor SLC12A1, ATP1A1, CA1, CA12, CA2, CA4, CA9, KCNMA1 Sodium/potassium/chloride transporter inhibitor 1247 85.7 cp BRD-K59570838 homoveratrylamine Dopamine analog Dopamine analog 1251 85.63 cp BRD-K63945320 dihydrosamidin Phospholipase inhibitor Phospholipase inhibitor, Nitric oxide production inhibitor, Platelet activating factor receptor antagonist 1256 85.55 cp BRD-K32536677 AGK-2 SIRT inhibitor SIRT2 SIRT inhibitor 1262 85.49 cp BRD-K26801045 pipamperone Dopamine receptor antagonist DRD2, HTR2A, HRH1, HTR1A, HTR1B, HTR1D Dopamine receptor antagonist 1265 85.44 cp BRD-A00267231 hemado Adenosine receptor agonist ADORA3, ADORA1, ADORA2A, ADORA2B Adenosine receptor agonist 1267 85.39 cp BRD-K59637651 NSC-119889 Protein synthesis inhibitor Protein synthesis inhibitor 1269 85.37 cp BRD-A87479750 tenidap Cyclooxygenase inhibitor ALOX5, KCNJ4, PTGS1 Cyclooxygenase inhibitor 1270 85.37 cp BRD-A50684349 fenoldopam Dopamine receptor agonist DRD1, ADRA1A, ADRA1B, ADRA1D, ADRA2A, ADRA2B, ADRA2C, DRD4, DRD5 Dopamine receptor agonist 1272 85.34 cp BRD-A25775766 securinine GABA receptor antagonist GABRA1 GABA receptor antagonist, TP53 activator 1287 85.06 cp BRD-K76205745 losartan Angiotensin receptor antagonist AGTR1 Angiotensin receptor antagonist 1294 84.85 cp BRD-K02867583 minaprine Serotonin reuptake inhibitor HTR2B, SLC6A4, ACHE, CHRM1, DRD1, DRD2, HTR2A, HTR2C, MAOA Serotonin reuptake inhibitor 1300 84.73 cp BRD-A62809825 thapsigargin ATPase inhibitor ATP2A1 ATPase inhibitor 1306 84.64 cp BRD-K92760278 riboflavin Vitamin B Vitamin B 1308 84.62 cp BRD-K41445866 alfaxalone Chloride channel agonist HSD11B1 Chloride channel agonist, GABA receptor agonist 1312 84.58 cp BRD-K19416115 sitagliptin Dipeptidyl peptidase inhibitor DPP4, CYP2C8, FASLG, HMGCR, SLC22A8 Dipeptidyl peptidase inhibitor 1319 84.29 cp BRD-K16406336 methylene-blue Guanylyl cyclase inhibitor ACHE, MAPT Guanylyl cyclase inhibitor, Monoamine oxidase inhibitor, Nitric oxide production inhibitor, Tau aggregation inhibitor 1324 84.25 cp BRD-K73999723 telmisartan Angiotensin receptor antagonist AGTR1, PPARG, CYP2C19, CYP2J2, PPARA Angiotensin receptor antagonist 1326 84.2 cp BRD-A09472452 flecainide Sodium channel blocker SCN5A, KCNA5, KCNA7, SCN4A Sodium channel blocker 1332 84.15 cp BRD-K95885906 quercetagetin PIM inhibitor PIM1 PIM inhibitor 1333 84.14 cp BRD-U86922168 QL-XII-47 BTK inhibitor BMX, BTK BTK inhibitor, Cytoplasmic tyrosine protein kinase BMX inhibitor 1335 84.11 cp BRD-K20655524 mefexamide Psychoactive drug Psychoactive drug 1339 84.08 cp BRD-A99449986 MT-21 Caspase activator CYCS, SLC25A4 Caspase activator 1341 84.04 cp BRD-K66896231 BRD-K66896231 Acetylcholinesterase inhibitor ACHE Acetylcholinesterase inhibitor 1342 84.04 cp BRD-K61737877 VEGF-receptor-2-kinase-inhibitor-IV VEGFR inhibitor KDR VEGFR inhibitor 1343 84.03 cp BRD-A22844106 tenoxicam Cyclooxygenase inhibitor PTGS2, PTGS1 Cyclooxygenase inhibitor 1346 83.94 cp BRD-K82147103 lofepramine Norepinephrine reuptake inhibitor SLC6A2, SLC6A4 Norepinephrine reuptake inhibitor, Serotonin reuptake inhibitor 1347 83.94 cp BRD-A84389091 L-655708 GABA receptor inverse agonist GABRA5, GABRA1, GABRA2, GABRA3, GABRG2 GABA receptor inverse agonist 1357 83.82 cp BRD-K87696786 LY-456236 Glutamate receptor antagonist GRM1 Glutamate receptor antagonist 1362 83.66 cp BRD-A24228527 ofloxacin Bacterial DNA gyrase inhibitor TOP2A Bacterial DNA gyrase inhibitor 1366 83.61 cp BRD-K74733595 APHA-compound-8 HDAC inhibitor HDAC8 HDAC inhibitor 1370 83.49 cp BRD-A79981887 midodrine Adrenergic receptor agonist ADRA1A, ADRA1B, ADRA1D Adrenergic receptor agonist 1371 83.49 cp BRD-A50764878 MDL-73005EF Serotonin receptor antagonist HTR1A Serotonin receptor antagonist 1377 83.43 cp BRD-K16195444 oxymetazoline Adrenergic receptor agonist ADRA1A, ADRA2A, ADRA1B, ADRA1D, ADRA2B, ADRA2C, CYP2C19, HTR1B, HTR1D, HTR2C Adrenergic receptor agonist 1380 83.39 cp BRD-K18895904 olanzapine Dopamine receptor antagonist DRD2, HTR2A, HTR2C, DRD1, DRD3, DRD4, HRH1, HTR1A, HTR1B, HTR1D, HTR1E, HTR6, HTR7, ADRA1A, ADRA1B, ADRA2A, ADRA2B, ADRA2C, ADRB1, ADRB2, ADRB3, CHRM1, CHRM2, CHRM3, CHRM4, CHRM5, CYP2C8, DRD5, GABRA1, GABRA2, GABRA3, GABRA4, GABRA5, GABRA6, GABRB1, GABRB2, GABRB3, GABRD, GABRE, GABRG1, GABRG2, GABRG3, GABRP, GABRQ, HRH2, HRH4, HTR1F, HTR2B, HTR3A, HTR5A Dopamine receptor antagonist, Serotonin receptor antagonist 1384 83.31 cp BRD-K04196797 oxcarbazepine Sodium channel blocker CYP2C19, CYP3A4, CYP3A5, SCN1A, SCN3A, SCN5A Sodium channel blocker 1391 83.2 cp BRD-A53131506 epitestosterone Inactive testosterone analog AKR1C1, AKR1C2, AR Inactive testosterone analog 1394 83.08 cp BRD-K32977963 eugenol Androgen receptor antagonist AR, MAOA Androgen receptor antagonist 1397 83.04 cp BRD-A80383043 BRD-A80383043 Glutamate receptor agonist GRM1, GRM2 Glutamate receptor agonist, Glutamate receptor antagonist 1398 83.04 cp BRD-K37798499 etoposide Topoisomerase inhibitor TOP2A, CYP2E1, CYP3A5, TOP2B Topoisomerase inhibitor 1402 82.93 cp BRD-K71512533 SNS-314 Aurora kinase inhibitor AURKA, AURKB, AURKC Aurora kinase inhibitor 1408 82.76 cp BRD-K55930204 phenytoin Hydantoin antiepileptic ABCB1, CYP2B6, CYP2C19, CYP3A4, SCN1A, SCN2A, SCN5A Hydantoin antiepileptic 1413 82.69 cp BRD-A29437505 RWJ-21757 TLR agonist TLR7 TLR agonist 1414 82.68 cp BRD-K32795028 1-benzylimidazole Thromboxane synthase inhibitor CYP11B1, QPCT Thromboxane synthase inhibitor 1418 82.62 cp BRD-A04706586 bucladesine Adenosine receptor agonist PRKACA Adenosine receptor agonist, cAMP stimulant 1419 82.61 cp BRD-K76674262 homoharringtonine Protein synthesis inhibitor RPL3 Protein synthesis inhibitor 1422 82.59 cp BRD-A26384407 chlortalidone Carbonic anhydrase inhibitor CA7, CA1, CA12, CA14, CA4, SLC12A1 Carbonic anhydrase inhibitor 1424 82.57 cp BRD-A91866971 SQ-29548 Thromboxane receptor antagonist Thromboxane receptor antagonist 1435 82.25 cp BRD-A15034104 bergenin Interleukin inhibitor PTPN1 Interleukin inhibitor 1437 82.19 cp BRD-K03109492 NSC-663284 CDC inhibitor CDC25A, CDC25B, CDC25C CDC inhibitor 1439 82.17 cp BRD-K50324045 avrainvillamide-analog-6 nucleophosmin inhibitor NPM1 nucleophosmin inhibitor 1440 82.17 cp BRD-K95237249 probenecid Uricosuric blocker SLC22A6, ABCC1, PANX1, SLC22A11, SLC22A8, SLCO1C1, TRPV2 Uricosuric blocker 1448 82.07 cp BRD-K67844266 MLN-4924 Nedd activating enzyme inhibitor NAE1, UBA3 Nedd activating enzyme inhibitor 1454 81.95 cp BRD-K61217870 n-(3-acetamidophenyl)-3-chlorobenzamide Glutamate receptor antagonist GRM5 Glutamate receptor antagonist 1458 81.75 cp BRD-K02526760 QS-11 ARFGAP inhibitor ARFGAP1 ARFGAP inhibitor 1460 81.73 cp BRD-A38747044 KU-14R Imidazoline receptor ligand Imidazoline receptor ligand, Putative I3 antagonist 1465 81.66 cp BRD-A35912562 pregnenolone Glutamate receptor modulator CYP17A1, PGR, SULT2B1 Glutamate receptor modulator, Acetylcholine release enhancer, Dopamine release enhancer, GABA receptor negative allosteric modulator 1468 81.62 cp BRD-K08556791 ethoprop Acetylcholinesterase inhibitor ACHE Acetylcholinesterase inhibitor 1469 81.57 cp BRD-K35458079 edaravone Nootropic agent BCL2 Nootropic agent 1470 81.57 cp BRD-K36927236 glibenclamide Sulfonylurea KCNJ11, ABCC8, CFTR, KCNJ5, KCNJ8, ABCA1, ABCB11, ABCC9, CPT1A, KCNJ1, SLCO2B1, TRPA1 Sulfonylurea 1471 81.56 cp BRD-K19525698 ozagrel Thromboxane synthase inhibitor TBXAS1 Thromboxane synthase inhibitor 1476 81.53 cp BRD-A06352508 SB-218078 CHK inhibitor CHEK1 CHK inhibitor 1477 81.52 cp BRD-A46186775 hydrocortisone Glucocorticoid receptor agonist ANXA1, NOS2, NR3C1, NR3C2 Glucocorticoid receptor agonist 1483 81.48 cp BRD-A51714012 venlafaxine Adrenergic inhibitor SLC6A2, SLC6A4, CYP2C19, SLC6A3 Adrenergic inhibitor, Norepinephrine reuptake inhibitor, Serotonin reuptake inhibitor 1484 81.45 cp BRD-A20131130 2',5'-dideoxyadenosine Adenylyl cyclase inhibitor Adenylyl cyclase inhibitor 1486 81.4 cp BRD-K02953697 naringin Cytochrome P450 inhibitor SLCO1A2 Cytochrome P450 inhibitor 1487 81.37 cp BRD-A50157456 terbutaline Adrenergic receptor agonist ADRB2 Adrenergic receptor agonist 1493 81.25 cp BRD-K68341547 W-9 Calmodulin antagonist CALM2 Calmodulin antagonist 1494 81.2 cp BRD-A52282606 lacidipine Calcium channel blocker CACNA1C Calcium channel blocker 1495 81.2 cp BRD-K80348542 cephaeline Protein synthesis inhibitor RPS2 Protein synthesis inhibitor 1502 81.11 cp BRD-A02176148 tubaic-acid Mitochondrial complex I inhibitor MT-ND1 Mitochondrial complex I inhibitor, NADH-ubiquinone oxidoreductase (Complex I) inhibitor 1505 81.05 cp BRD-K48869804 icilin TRPV agonist TRPA1, TRPM8 TRPV agonist 1506 81.03 cp BRD-K25394294 oxaprozin Cyclooxygenase inhibitor PTGS1, PTGS2 Cyclooxygenase inhibitor 1514 80.93 cp BRD-U97083655 teicoplanin Bacterial cell wall synthesis inhibitor Bacterial cell wall synthesis inhibitor 1515 80.93 cp BRD-K61097567 SB-218795 Tachykinin antagonist TACR3 Tachykinin antagonist 1517 80.9 cp BRD-K38197229 bumetanide Solute carrier family member inhibitor SLC12A1, SLC12A2, CFTR, GPR35, SLC12A4, SLC12A5 Solute carrier family member inhibitor 1518 80.89 cp BRD-K50398167 meclofenamic-acid Cyclooxygenase inhibitor PTGS1, PTGS2, ALOX5, CNR1, KCNQ2, KCNQ3 Cyclooxygenase inhibitor, Prostanoid receptor antagonist 1521 80.79 cp BRD-A23683907 NAS-181 Serotonin receptor antagonist HTR1B Serotonin receptor antagonist 1523 80.77 cp BRD-A62035778 scopolamine Acetylcholine receptor antagonist CHRM2, CHRM1, CHRM3, CHRM4, CHRM5, SI Acetylcholine receptor antagonist 1525 80.7 cp BRD-K10843433 phenylbutazone Cyclooxygenase inhibitor PTGS2, PTGS1, PTGIS Cyclooxygenase inhibitor, Prostanoid receptor antagonist 1533 80.54 cp BRD-K82865713 prostaglandin-b2 cAMP inhibitor cAMP inhibitor 1536 80.51 cp BRD-K60160658 tiagabine GABA uptake inhibitor SLC6A1, CYP2C19 GABA uptake inhibitor 1548 80.3 cp BRD-A41941932 vitexin Antioxidant Antioxidant 1549 80.3 cp BRD-K19554809 MK-212 Serotonin receptor agonist HTR2A, HTR2B, HTR2C Serotonin receptor agonist 1563 80.02 cp BRD-K32247306 primidone GABA receptor antagonist GABRA1, CHRNA4, CHRNA7, GABRA2, GABRA3, GABRA4, GABRA5, GABRA6, GABRB1, GABRB2, GABRB3, GABRD, GABRE, GABRG1, GABRG2, GABRG3, GABRP, GABRQ, GRIA2, GRIK2 GABA receptor antagonist 1573 79.62 cp BRD-K77925998 quipazine Serotonin receptor agonist HTR2A, HTR3A, HTR3B, HTR1A, HTR1D, HTR2B, HTR2C, HTR6, SLC6A4 Serotonin receptor agonist 1574 79.55 cp BRD-K83988098 alvespimycin HSP inhibitor HSP90AA1 HSP inhibitor 1575 79.54 cp BRD-K78373679 RO-3306 CDK inhibitor CDK1 CDK inhibitor 1576 79.5 cp BRD-K50720187 flupirtine Glutamate receptor antagonist KCNQ2, ADRA2A, KCNQ1, KCNQ3 Glutamate receptor antagonist 1580 79.48 cp BRD-A23290232 westcort Glucocorticoid receptor agonist Glucocorticoid receptor agonist 1582 79.4 cp BRD-K52512893 SC-19220 Prostanoid receptor antagonist PTGER1 Prostanoid receptor antagonist 1584 79.38 cp BRD-K92817986 BJM-CSC-19 MEK inhibitor MEK inhibitor 1585 79.33 cp BRD-K78959463 FPL-64176 Calcium channel activator CACNA1C, CACNA1S Calcium channel activator 1595 79.18 cp BRD-K99411983 lumicolchicine Colchicine isomer, non-binder of microtubules Colchicine isomer, non-binder of microtubules 1601 79.07 cp BRD-K39983086 loteprednol Glucocorticoid receptor agonist NR3C1 Glucocorticoid receptor agonist, Phospholipase inhibitor 1602 79.06 cp BRD-A97701745 pindolol Adrenergic receptor antagonist ADRB1, ADRB2, HTR1A, HTR1B, HTR2A, HTR2B Adrenergic receptor antagonist, Serotonin receptor antagonist 1606 78.91 cp BRD-K50836978 purvalanol-a CDK inhibitor CDK1, CDK2, CDK4, CDK5, CCND1, CCNE1, CSNK1G3, RPS6KA1, SRC CDK inhibitor, DYRK inhibitor 1608 78.86 cp BRD-A22143024 estropipate Estrogen receptor agonist ESR1, ESR2 Estrogen receptor agonist 1609 78.85 cp BRD-K95901403 XL-147 PI3K inhibitor PIK3CA, PIK3CD, PIK3CG PI3K inhibitor 1613 78.8 cp BRD-K83322645 L-693403 Sigma receptor agonist DRD2, SIGMAR1 Sigma receptor agonist, Sigma receptor antagonist 1615 78.75 cp BRD-K17349619 HLI-373 MDM inhibitor MDM2 MDM inhibitor 1619 78.7 cp BRD-M41783010 acamprosate Glutamate receptor antagonist GABRA1, GABRA2, GABRA3, GABRA4, GABRA5, GABRA6, GABRB1, GABRB2, GABRB3, GABRD, GABRE, GABRG1, GABRG2, GABRG3, GABRP, GABRQ, GRIN1, GRIN2A, GRIN2B, GRIN2C, GRIN2D, GRIN3A, GRIN3B, GRM5 Glutamate receptor antagonist 1620 78.68 cp BRD-K54771420 glycocholic-acid Cholesterol inhibitor FABP6 Cholesterol inhibitor 1621 78.68 cp BRD-K40901640 cinanserin Serotonin receptor antagonist HTR2A Serotonin receptor antagonist 1622 78.67 cp BRD-K29582115 ziprasidone Dopamine receptor antagonist DRD2, HTR2A, HTR1A, HTR1D, HRH1, HTR1B, HTR1E, HTR2C, HTR7, ADRA1A, ADRA1B, ADRA2A, ADRA2B, ADRA2C, CHRM1, CHRM2, CHRM3, CHRM4, CHRM5, DRD1, DRD3, DRD4, DRD5, HTR3A, HTR6, SLC6A4 Dopamine receptor antagonist, Serotonin receptor antagonist 1635 78.32 cp BRD-K77947974 fluspirilene Dopamine receptor antagonist DRD2, HTR2A, CACNG1, HRH1, HTR1A, HTR1D, HTR1E Dopamine receptor antagonist 1637 78.28 cp BRD-K42142750 retrorsine Antimitotic Antimitotic, Cytotoxic agent, Mutagenic 1642 78.24 cp BRD-K86204871 terconazole Sterol demethylase inhibitor Sterol demethylase inhibitor 1643 78.23 cp BRD-K50214219 CS-1657 PARP inhibitor PARP1 PARP inhibitor 1650 78.07 cp BRD-K48300629 zonisamide Sodium channel blocker CA1, CA12, CA7, SCN1A, CA10, CA11, CA13, CA14, CA2, CA3, CA4, CA5A, CA5B, CA6, CA8, CA9, CACNA1G, CACNA1H, CACNA1I, MAOA, MAOB, SCN11A, SCN1B, SCN2A, SCN2B, SCN3A, SCN3B, SCN4A, SCN4B, SCN5A, SCN9A Sodium channel blocker, T-type calcium channel blocker 1657 77.92 cp BRD-A17453586 MDL-72832 Serotonin receptor agonist HTR1A Serotonin receptor agonist 1671 77.68 cp BRD-A48430263 pioglitazone Insulin sensitizer PPARG, INS, TRPM3 Insulin sensitizer, PPAR receptor agonist 1672 77.67 cp BRD-K03981224 ethisterone Progestogen hormone TYR Progestogen hormone 1676 77.64 cp BRD-A20697603 thiostrepton FOXM1 inhibitor FOXM1 FOXM1 inhibitor, Protein synthesis inhibitor 1683 77.5 cp BRD-K32821942 azathioprine Dehydrogenase inhibitor HPRT1, IMPDH1, PPAT Dehydrogenase inhibitor 1684 77.49 cp BRD-K62200014 anagrelide Phosphodiesterase inhibitor PDE3A Phosphodiesterase inhibitor 1685 77.47 cp BRD-K41170226 deoxycholic-acid G protein-coupled receptor agonist GPBAR1, EFTUD1, FPR1 G protein-coupled receptor agonist, Biliverdin reductase A activator, Unidentified pharmacological activity 1687 77.42 cp BRD-K74913225 brinzolamide Carbonic anhydrase inhibitor CA2, CA1, CA7, CA12, CA14, CA4, CA5A, CYP2B6, CYP2C8 Carbonic anhydrase inhibitor 1689 77.41 cp BRD-K56115039 BU-226 Imidazoline receptor ligand Imidazoline receptor ligand 1694 77.36 cp BRD-A39646320 HC-toxin HDAC inhibitor HDAC1 HDAC inhibitor 1697 77.34 cp BRD-K47150025 KI-8751 VEGFR inhibitor KDR VEGFR inhibitor, KIT inhibitor, PDGFR receptor inhibitor 1698 77.32 cp BRD-A31800922 procyclidine Acetylcholine receptor antagonist CHRM1, CHRM2, CHRM3, CHRM4 Acetylcholine receptor antagonist 1699 77.31 cp BRD-K82577285 dipropyl-dopamine Dopamine receptor agonist Dopamine receptor agonist 1703 77.2 cp BRD-K51476772 ST-638 Tyrosine kinase inhibitor Tyrosine kinase inhibitor 1705 77.15 cp BRD-K81847782 scandenin Plant compound with antimicrobial activity Plant compound with antimicrobial activity 1708 77.15 cp BRD-K29313308 HDAC3-selective HDAC inhibitor HDAC3 HDAC inhibitor 1710 77.11 cp BRD-K11373525 ZD-7155 Angiotensin receptor antagonist AGTR1 Angiotensin receptor antagonist 1720 77.04 cp BRD-K13571841 pepstatin Aspartic protease inhibitor CTSB, CTSD, CTSL, REN Aspartic protease inhibitor 1729 76.86 cp BRD-K03600606 catechin Beta secretase inhibitor BACE1, CA1, CA12, CA14, CA2, CA4, CA6, CA9, FASN, PTGS1, SCN5A Beta secretase inhibitor, Fatty acid synthase inhibitor, LDL antioxidant 1732 76.84 cp BRD-K96134740 kitasamycin Protein synthesis inhibitor Protein synthesis inhibitor 1733 76.82 cp BRD-K88358234 xaliproden Serotonin receptor agonist HTR1A Serotonin receptor agonist 1736 76.79 cp BRD-A96799240 4-hydroxyretinoic-acid Retinoid receptor binder Retinoid receptor binder 1745 76.57 cp BRD-K88551539 CAY-10585 HIF modulator HIF1A HIF modulator 1746 76.56 cp BRD-K70976396 cefoxitin Bacterial cell wall synthesis inhibitor Bacterial cell wall synthesis inhibitor 1749 76.5 cp BRD-K28453807 nitrocaramiphen Cholinergic receptor antagonist Cholinergic receptor antagonist 1751 76.49 cp BRD-K33204703 AG-370 PDGFR receptor inhibitor PDGFRB PDGFR receptor inhibitor 1753 76.4 cp BRD-K16551401 PNU-22394 Serotonin receptor agonist MAOA, MAOB Serotonin receptor agonist 1754 76.38 cp BRD-K32584078 BML-257 AKT inhibitor AKT1 AKT inhibitor, HCV inhibitor 1759 76.28 cp BRD-A58157837 butabindide Tripeptidyl peptidase inhibitor TPP2 Tripeptidyl peptidase inhibitor 1764 76.21 cp BRD-A93255169 thalidomide TNF production inhibitor TNF, CRBN, CYP1A2, CYP2B6, CYP2C19, CYP3A5, FGFR2, NFKB1, ORM1, ORM2, PTGS2 TNF production inhibitor 1766 76.08 cp BRD-K20197062 SA-94315 Caspase inhibitor CASP3 Caspase inhibitor 1773 75.95 cp BRD-K46384212 o-3M3FBS phospholipase activator phospholipase activator 1776 75.87 cp BRD-K16277217 piperacetazine Dopamine receptor antagonist Dopamine receptor antagonist 1777 75.87 cp BRD-A07440155 labetalol Adrenergic receptor antagonist ADRB1, ADRB2, ADRA1A, ADRA1D, ADRA1B Adrenergic receptor antagonist 1782 75.72 cp BRD-A91555231 norepinephrine Adrenergic receptor agonist ADRA1A, ADRA1B, ADRA1D, ADRA2A, ADRA2B, ADRA2C, ADRB1, ADRB3, ADRB2, DRD1, DRD5, PAH, SLC18A1, SLC18A2 Adrenergic receptor agonist 1784 75.71 cp BRD-A85587465 bemesetron Serotonin receptor antagonist HTR3A, HTR3B Serotonin receptor antagonist 1789 75.58 cp BRD-K30570479 VU-0400195-3 Glutamate receptor modulator GRM4 Glutamate receptor modulator 1791 75.55 cp BRD-A11990600 lorazepam Benzodiazepine receptor agonist GABRA1, GABRA2, GABRA3, GABRA5, GABRA4, GABRA6, GABRB1, GABRB2, GABRB3, GABRD, GABRE, GABRG1, GABRG2, GABRG3, GABRP, GABRQ, TSPO Benzodiazepine receptor agonist 1792 75.55 cp BRD-K68873215 phosphodiesterase-V-inhibitor-II Phosphodiesterase inhibitor PDE5A Phosphodiesterase inhibitor 1794 75.48 cp BRD-K28115081 apafant Platelet activating factor receptor antagonist PTAFR Platelet activating factor receptor antagonist 1795 75.48 cp BRD-K06221026 DUP-697 Cyclooxygenase inhibitor PTGS2 Cyclooxygenase inhibitor 1799 75.43 cp BRD-A54029483 IRL-2500 Endothelin receptor antagonist EDNRB Endothelin receptor antagonist 1800 75.42 cp BRD-A80213327 NSC-23766 Ras GTPase inhibitor Ras GTPase inhibitor 1801 75.41 cp BRD-A60294240 tribenoside Anti-inflammatory Anti-inflammatory, Capillary stabilizing agent 1805 75.35 cp BRD-K14791739 fluticasone Glucocorticoid receptor agonist NR3C1, CYP3A5, CYP3A7, NR3C2, PGR, PLA2G4A Glucocorticoid receptor agonist 1807 75.31 cp BRD-K00234327 RU-24969 Serotonin receptor agonist HTR1A, HTR1B, HTR6, HTR1D, HTR2A, HTR2B, HTR2C, HTR5A Serotonin receptor agonist 1812 75.22 cp BRD-K78599730 manumycin-a Farnesyltransferase inhibitor FNTA, IKBKB Farnesyltransferase inhibitor, NFkB pathway inhibitor 1813 75.21 cp BRD-K68867920 quetiapine Dopamine receptor antagonist DRD2, HTR1A, HTR2A, DRD1, HRH1, HTR1D, HTR1E, ADRA1A, ADRA1B, ADRA1D, ADRA2A, ADRA2B, ADRA2C, CHRM1, CHRM2, CHRM3, CHRM4, CHRM5, DRD3, DRD4, DRD5, HTR1B, HTR1F, HTR2C, HTR3A, HTR6, HTR7, SLC6A2 Dopamine receptor antagonist, Serotonin receptor antagonist 1820 75.11 cp BRD-K35629949 SR-27897 CCK receptor antagonist CCKAR CCK receptor antagonist 1822 75.07 cp BRD-A54880345 etomidate GABA receptor modulator GABRA1, ADRA2B, GABRA2, GABRA3, GABRA4, GABRA5, GABRA6, GABRB1, GABRB2, GABRB3, GABRD, GABRE, GABRG1, GABRG2, GABRG3, GABRP, GABRQ GABA receptor modulator 1823 75.05 cp BRD-A10355991 norketamine Glutamate receptor antagonist CYP2B6, CYP2C19, CYP3A5, GRIN1 Glutamate receptor antagonist 1825 75.04 cp BRD-K71926323 marbofloxacin Bacterial DNA gyrase inhibitor Bacterial DNA gyrase inhibitor 1826 75.03 cp BRD-K28849549 mesalazine Cyclooxygenase inhibitor PTGS1, PPARG, PTGS2, ALOX5, CHUK, CTNNB1, IKBKB, MPO, NAT1 Cyclooxygenase inhibitor, Lipoxygenase inhibitor, Prostanoid receptor antagonist 1827 75.01 cp BRD-A75935363 atracurium Acetylcholine receptor antagonist CHRNA2 Acetylcholine receptor antagonist 1829 74.96 cp BRD-K68143200 SA-792541 CDC inhibitor CASP3, CDC25A, CDC25B CDC inhibitor 1831 74.91 cp BRD-K37206356 rhamnetin HDAC inhibitor ALOX5, MAPK8 HDAC inhibitor 1846 74.69 cp BRD-K59037100 oxybenzone Lipase inhibitor LIPE Lipase inhibitor 1849 74.65 cp BRD-K26818574 BIX-01294 Histone lysine methyltransferase inhibitor EHMT1, EHMT2 Histone lysine methyltransferase inhibitor, DNA methyltransferase inhibitor 1851 74.62 cp BRD-K21520694 sulfacetamide PABA antagonist PABA antagonist 1858 74.5 cp BRD-K34608650 BRD-K34608650 Cannabinoid receptor agonist CNR2 Cannabinoid receptor agonist 1859 74.47 cp BRD-A15415227 GW-1929 PPAR receptor agonist INS, PPARG PPAR receptor agonist, Insulin sensitizer 1863 74.42 cp BRD-K07888107 depudecin HDAC inhibitor HDAC1, HDAC2 HDAC inhibitor 1865 74.37 cp BRD-K14696368 9-methyl-5H-6-thia-4,5-diaza-chrysene-6,6-dioxide NFkB pathway inhibitor RELA NFkB pathway inhibitor 1866 74.37 cp BRD-A20239487 atenolol Adrenergic receptor antagonist ADRB1, ADRB2 Adrenergic receptor antagonist 1868 74.3 cp BRD-K55424922 anpirtoline Serotonin receptor agonist HTR1B, HTR3A Serotonin receptor agonist 1869 74.28 cp BRD-K31611373 fluprostenol Prostanoid receptor agonist PTGER3, PTGFR, TBXA2R Prostanoid receptor agonist 1871 74.25 cp BRD-K67013324 luzindole Melatonin receptor antagonist MTNR1B, MTNR1A Melatonin receptor antagonist 1875 74.19 cp BRD-A59985574 topotecan Topoisomerase inhibitor TOP1, TOP1MT Topoisomerase inhibitor 1880 74.1 cp BRD-A55416093 colforsin Adenylyl cyclase activator ADCY2, ADCY5, GNAS Adenylyl cyclase activator, Adenylate cyclase stimulant 1894 73.88 cp BRD-A41250306 cyclopenthiazide Thiazide diuretic Thiazide diuretic 1903 73.73 cp BRD-K17075857 chloroxine Opioid receptor antagonist OPRK1 Opioid receptor antagonist 1911 73.54 cp BRD-K57718010 pentylenetetrazol GABA receptor antagonist GABA receptor antagonist 1913 73.47 cp BRD-A11605036 thiocolchicoside GABA receptor antagonist GABRA1, GABRB2, GABRG2, GLRA1, GLRB GABA receptor antagonist 1914 73.44 cp BRD-K39987650 bisacodyl Laxative Laxative 1917 73.42 cp BRD-K35687265 ON-01910 PLK inhibitor CDK1, FLT1, FYN, MCL1, PDGFRA, PLK1, PLK2, SRC PLK inhibitor 1918 73.39 cp BRD-A71203467 l-stepholidine Dopamine receptor antagonist DRD2, DRD1 Dopamine receptor antagonist 1920 73.35 cp BRD-A72988804 tiaprofenic-acid Cyclooxygenase inhibitor PTGS2, PTGS1 Cyclooxygenase inhibitor 1927 73.21 cp BRD-K04414442 SB-222200 Tachykinin antagonist TACR3 Tachykinin antagonist 1929 73.19 cp BRD-K99174507 cardiogenol-c Cardiomyogenesis inducer Cardiomyogenesis inducer 1931 73.18 cp BRD-K28360340 TW-37 BCL inhibitor BCL2, BCL2L1, MCL1 BCL inhibitor 1932 73.13 cp BRD-K09255212 clioquinol Chelating agent OPRK1 Chelating agent 1935 73.1 cp BRD-K73589401 corticosterone mineralocorticoid receptor agonist HSD11B1, NR3C2, NCOA1 mineralocorticoid receptor agonist 1938 73 cp BRD-K82562631 tolmetin Cyclooxygenase inhibitor PTGS2, PTGS1 Cyclooxygenase inhibitor 1940 72.93 cp BRD-K06467078 corynanthine Adrenergic receptor antagonist Adrenergic receptor antagonist 1942 72.91 cp BRD-A45499626 UBP-302 Glutamate receptor antagonist GRIK1 Glutamate receptor antagonist 1944 72.87 cp BRD-K50660797 epicatechin Bacterial DNA gyrase inhibitor FASN, APP, BACE1, SLC5A1 Bacterial DNA gyrase inhibitor, Cyclooxygenase inhibitor, DNA polymerase inhibitor 1947 72.84 cp BRD-K85383046 IAA-94 Chloride channel blocker Chloride channel blocker 1949 72.82 cp BRD-A83937277 mephenytoin Hydantoin antiepileptic SCN5A, CYP2C19 Hydantoin antiepileptic 1952 72.75 cp BRD-A19053259 pseudopelletierine Anthelmintic Anthelmintic 1964 72.51 cp BRD-K00317371 RITA MDM inhibitor MDM2, TXNRD1, TXNRD2 MDM inhibitor 1967 72.39 cp BRD-K18250272 propoxycaine Local anesthetic Local anesthetic 1971 72.35 cp BRD-K90333595 phentolamine Adrenergic receptor antagonist ADRA1A, ADRA2A, ADRA1B, ADRA1D, ADRA2B, ADRA2C Adrenergic receptor antagonist 1976 72.21 cp BRD-A53077924 tianeptine Selective serotonin reuptake enhancer (SSRE) SLC6A4 Selective serotonin reuptake enhancer (SSRE) 1978 72.2 cp BRD-A36267905 buphenine Adrenergic receptor agonist ADRB2 Adrenergic receptor agonist 1979 72.18 cp BRD-K02607075 tubocurarine Acetylcholine receptor antagonist CHRNA2, HTR3A, ACHE, HTR3B, KCNN1, KCNN2, KCNN3, ZACN Acetylcholine receptor antagonist 1984 72.13 cp BRD-K54790157 trioxsalen DNA synthesis inhibitor DNA synthesis inhibitor 1990 72.03 cp BRD-K74195153 irsogladine Phosphodiesterase inhibitor PDE4A Phosphodiesterase inhibitor 1992 72.01 cp BRD-A95696066 nisoxetine Norepinephrine reuptake inhibitor SLC6A2, SLC6A3, SLC6A4 Norepinephrine reuptake inhibitor 1996 71.92 cp BRD-K13566078 BMS-345541 IKK inhibitor IKBKB, CHUK IKK inhibitor 1997 71.91 cp BRD-K09631521 thiotepa Cytochrome P450 inhibitor CYP2B6 Cytochrome P450 inhibitor 2000 71.8 cp BRD-K66792149 quinoclamine Algicide Algicide 2004 71.73 cp BRD-K80725821 RS-16566 Serotonin receptor antagonist Serotonin receptor antagonist 2013 71.46 cp BRD-A04553218 chlorphenamine Histamine receptor antagonist HRH1, SLC6A2, SLC6A3, SLC6A4 Histamine receptor antagonist 2020 71.36 cp BRD-A37817666 picrotoxin GABA receptor antagonist GABRA1, GLRA2, GLRA3, GABRR1, GLRA1, GLRB, HTR3A, HTR3B GABA receptor antagonist 2021 71.33 cp BRD-K04430056 7-nitroindazole nitric oxide synthase inhibitor NOS1, NOS2, NOS3 nitric oxide synthase inhibitor 2025 71.24 cp BRD-A99571536 dubinidine Anti-epileptic Anti-epileptic 2033 70.94 cp BRD-K70330367 amantadine Glutamate receptor antagonist DRD2, GRIN1, GRIN2A, GRIN2B, GRIN2C, GRIN2D, GRIN3A Glutamate receptor antagonist 2035 70.91 cp BRD-K49519144 LY-2140023 Glutamate receptor agonist GRM3, GRM2 Glutamate receptor agonist 2038 70.89 cp BRD-K67043667 altretamine DNA synthesis inhibitor DNA synthesis inhibitor 2039 70.88 cp BRD-K48692744 NU-1025 PARP inhibitor PARP1 PARP inhibitor, DNA dependent protein kinase inhibitor 2041 70.83 cp BRD-K47278471 diphenhydramine Histamine receptor antagonist HRH1 Histamine receptor antagonist 2053 70.59 cp BRD-K15891719 tenofovir Reverse transcriptase inhibitor Reverse transcriptase inhibitor, Cytochrome P450 inhibitor, DNA polymerase inhibitor, HIV integrase inhibitor 2055 70.59 cp BRD-K66876909 linezolid Bacterial 50S ribosomal subunit inhibitor MAOA Bacterial 50S ribosomal subunit inhibitor 2057 70.54 cp BRD-K99595596 salsolinol Monoamine oxidase inhibitor DRD2 Monoamine oxidase inhibitor, Tyrosine hydroxylase inhibitor 2058 70.52 cp BRD-A61793559 metolazone Carbonic anhydrase inhibitor SLC12A3, CA2, CA7 Carbonic anhydrase inhibitor 2061 70.47 cp BRD-A97739905 ketoprofen Cyclooxygenase inhibitor PTGS2, PTGS1, CXCR1, SLC5A8 Cyclooxygenase inhibitor 2062 70.45 cp BRD-K14765469 vesamicol Acetylcholinesterase inhibitor SLC18A3 Acetylcholinesterase inhibitor 2063 70.45 cp BRD-K67860401 AR-A014418 Glycogen synthase kinase inhibitor GSK3B Glycogen synthase kinase inhibitor 2067 70.38 cp BRD-K88429204 pyrimethamine Dihydrofolate reductase inhibitor DHFR, DHFRP1, HEXA, SLC47A1, STAT3 Dihydrofolate reductase inhibitor 2070 70.35 cp BRD-A85234536 N6-cyclopentyladenosine Adenosine receptor agonist ADORA1, ADORA2A, ADORA2B, ADORA3, SLC29A1 Adenosine receptor agonist 2073 70.3 cp BRD-A78360835 cercosporin Photoactivated toxin Photoactivated toxin 2074 70.29 cp BRD-K97799481 theophylline Adenosine receptor antagonist ADORA1, ADORA2A, ADORA2B, ADORA3, CHIA, CYP2E1, CYP3A4, HDAC2, PDE3A, PDE4A, PDE4B, PDE5A Adenosine receptor antagonist 2075 70.24 cp BRD-K98521173 desoxycortone Mineralocorticoid receptor agonist NR3C1, NR3C2 Mineralocorticoid receptor agonist 2081 70.16 cp BRD-A39747742 estradiol-valerate Estrogen receptor agonist ESR1 Estrogen receptor agonist 2086 70.09 cp BRD-K76133116 benzydamine Membrane integrity inhibitor PRSS1, PRSS2 Membrane integrity inhibitor, Prostanoid receptor antagonist, Prostanoid receptor inhibitor 2091 70.01 cp BRD-K05906022 limonin HIV protease inhibitor HIV protease inhibitor 2092 70.01 cp BRD-K23913458 coumarin Vitamin K antagonist CA1, CA12, CA14, CA2, CA4, CA6, CA9, CYP2A6 Vitamin K antagonist 2094 70 cp BRD-A99833829 bethanechol Acetylcholine receptor agonist CHRM2, CHRM1, CHRM3, CHRM4 Acetylcholine receptor agonist 2098 69.9 cp BRD-A56892734 esomeprazole ATPase inhibitor ATP4A, CYP2C19, CYP3A4 ATPase inhibitor 2103 69.83 cp BRD-K21283037 riluzole Glutamate inhibitor KCND3, KCNK10, KCNK2, KCNK4, KCNN4, SCN5A, SLC7A11 Glutamate inhibitor 2104 69.8 cp BRD-A70449690 forskolin Adenylyl cyclase activator ADCY2, ADCY5, GNAS Adenylyl cyclase activator 2105 69.8 cp BRD-K30020243 aliskiren Antihypertensive REN Antihypertensive, Peptidase inhibitor, Protease inhibitor, Renin inhibitor 2107 69.79 cp BRD-A84134924 pancuronium Acetylcholine receptor antagonist CHRM2, CHRM3, CHRNA1, CHRNA2 Acetylcholine receptor antagonist 2108 69.79 cp BRD-K53857191 risperidone Dopamine receptor antagonist DRD2, HTR2A, ADRA1A, ADRA1B, DRD3, HRH1, HTR1A, HTR1D, HTR2C, ADRA1D, ADRA2A, ADRA2B, ADRA2C, CYP3A5, DRD1, DRD4, HTR1B, HTR1E, HTR1F, HTR6, HTR7 Dopamine receptor antagonist, Serotonin receptor antagonist 2109 69.73 cp BRD-K67298865 SB-431542 TGF beta receptor inhibitor TGFBR1, ACVR1C, ACVR1B TGF beta receptor inhibitor 2119 69.46 cp BRD-K06208435 YS-035 Calcium channel blocker Calcium channel blocker 2120 69.46 cp BRD-K36377456 marmesin Angiogenesis inhibitor Angiogenesis inhibitor 2122 69.43 cp BRD-K24576554 AT-9283 JAK inhibitor AURKA, AURKB, ABL1, BCR, FLT3, JAK2, JAK3, RPS6KA6, STK17A JAK inhibitor, Aurora kinase inhibitor, ABL inhibitor, BCR-ABL kinase inhibitor, FLT3 inhibitor, Mitotic inhibitor, Protein kinase inhibitor 2126 69.4 cp BRD-K97354755 SU-6656 SRC inhibitor LYN, AURKB, AURKC, BRSK2, CALM1, CAMK2D, LCK, RET, SRC, YES1 SRC inhibitor 2135 69.22 cp BRD-K89162000 tandutinib FLT3 inhibitor FLT3, KIT, PDGFRA, PDGFRB, CSF1R, PDGFD FLT3 inhibitor, KIT inhibitor, PDGFR receptor inhibitor 2137 69.2 cp BRD-K17868609 BRL-54443 Serotonin receptor agonist HTR1E, HTR1F Serotonin receptor agonist 2140 69.11 cp BRD-K36153907 KU-C103885 Cystic fibrosis transmembrane conductance regulator inhibitor Cystic fibrosis transmembrane conductance regulator inhibitor 2142 69.08 cp BRD-K26657438 imiquimod TLR agonist TLR7, TLR8 TLR agonist, Interferon inducer 2146 69 cp BRD-K34995470 SU-1498 VEGFR inhibitor ERBB2, KDR VEGFR inhibitor 2149 68.95 cp BRD-K07888196 tyrphostin-AG-538 IGF-1 inhibitor EGFR IGF-1 inhibitor 2150 68.94 cp BRD-A87848830 bimatoprost Prostanoid receptor agonist PTGFR, AKR1C3, PTGER1, PTGER3 Prostanoid receptor agonist 2154 68.9 cp BRD-A29731977 17-hydroxyprogesterone-caproate progesterone receptor agonist CYP1A2, CYP2B6, CYP3A5, PGR progesterone receptor agonist 2156 68.9 cp BRD-K80396088 gliquidone Sulfonylurea ABCC8, KCNJ10, KCNJ11, KCNJ8 Sulfonylurea 2157 68.88 cp BRD-A73605923 mocimycin Protein synthesis inhibitor Protein synthesis inhibitor 2163 68.76 cp BRD-K77677632 SB-200646 Serotonin receptor antagonist HTR2B, HTR2C Serotonin receptor antagonist 2164 68.76 cp BRD-K08132273 tyrphostin EGFR inhibitor ERBB2 EGFR inhibitor 2168 68.71 cp BRD-K14880289 GW-501516 PPAR receptor agonist PPARD, INS, PPARA PPAR receptor agonist, Insulin sensitizer 2171 68.64 cp BRD-A61858259 CAY-10415 Insulin sensitizer INS Insulin sensitizer 2174 68.58 cp BRD-K62736196 guanabenz -666 ADRA2A, ADRA2B, ADRA2C -666 2182 68.47 cp BRD-K32107296 temozolomide DNA alkylating agent TOP2A DNA alkylating agent 2184 68.46 cp BRD-K74112339 acetohydroxamic-acid Urease inhibitor Urease inhibitor 2185 68.46 cp BRD-K11433652 aspirin Cyclooxygenase inhibitor PTGS1, PTGS2, TP53, AKR1C1, ASIC3, EDNRA, HSPA5, IKBKB, NFKB1, NFKB2, NFKBIA, PRKAA1, PRKAA2, PRKAB1, PRKAB2, PRKAG1, PRKAG2, PRKAG3, RPS6KA3 Cyclooxygenase inhibitor 2197 68.28 cp BRD-K03440695 boldine Acetylcholine receptor antagonist CHRNA4, CHRNB2, DRD1, DRD2 Acetylcholine receptor antagonist, Dopamine receptor antagonist 2199 68.23 cp BRD-K05926469 lenalidomide Antineoplastic CRBN, TNF, CDH5, PTGS2, TNFSF11 Antineoplastic 2201 68.21 cp BRD-K92492521 LY-255283 Leukotriene receptor antagonist LTB4R, LTB4R2 Leukotriene receptor antagonist 2211 68.01 cp BRD-K23204545 busulfan DNA inhibitor DNA inhibitor 2212 68 cp BRD-A50311610 meclozine CAR agonist NR1I3, HRH1 CAR agonist 2214 67.96 cp BRD-K46937689 phenazone Cyclooxygenase inhibitor PTGS1, PTGS2 Cyclooxygenase inhibitor 2218 67.89 cp BRD-A56012032 thiorphan Membrane metalloendopeptidase inhibitor MME Membrane metalloendopeptidase inhibitor 2220 67.83 cp BRD-K32164935 tolazamide ATP channel blocker KCNJ1, KCNJ10 ATP channel blocker 2223 67.81 cp BRD-K34437622 BRD-K34437622 Thymidylate synthase inhibitor TYMS Thymidylate synthase inhibitor 2228 67.66 cp BRD-K70301876 escitalopram Selective serotonin reuptake inhibitor (SSRI) SLC6A4, ADRA1A, CHRM1, CYP2C19, HRH1, SLC6A2, SLC6A3 Selective serotonin reuptake inhibitor (SSRI) 2229 67.66 cp BRD-K00656370 6-aminochrysene Transferase inhibitor Transferase inhibitor 2232 67.55 cp BRD-A75402480 desoxycorticosterone Mineralocorticoid receptor agonist Mineralocorticoid receptor agonist 2233 67.51 cp BRD-K53972329 ruxolitinib JAK inhibitor JAK1, JAK2, TYK2, JAK3 JAK inhibitor 2235 67.43 cp BRD-K55991774 BAS-09104376 HIV integrase inhibitor HIV integrase inhibitor 2238 67.37 cp BRD-A76279427 myriocin Serine palmitoyltransferase inhibitor AKT1, SPTLC1, SPTLC2, SPTLC3 Serine palmitoyltransferase inhibitor 2243 67.3 cp BRD-A09056319 alfuzosin Adrenergic receptor antagonist ADRA1A, ADRA1D, ADRA1B, KCNH2 Adrenergic receptor antagonist 2246 67.25 cp BRD-K80725632 lavendustin-c EGFR inhibitor CAMK2A, EGFR, SRC EGFR inhibitor 2247 67.25 cp BRD-A34751532 homosalate HSP inducer HSP inducer 2253 67.12 cp BRD-A37492983 iocetamic-acid Radiopaque medium Radiopaque medium 2256 67.05 cp BRD-K57222227 indometacin Cyclooxygenase inhibitor PTGS1, PTGS2, PPARG, PTGDR2, GLO1, PLA2G2A, PPARA, PTGR2, SLC46A1 Cyclooxygenase inhibitor 2257 67.01 cp BRD-K67277431 picotamide Thromboxane receptor antagonist TBXA2R, TBXAS1 Thromboxane receptor antagonist, Thromboxane synthase inhibitor 2261 66.98 cp BRD-A57457122 VU-0400071-3 Glutamate receptor modulator GRM4 Glutamate receptor modulator 2269 66.84 cp BRD-K14550461 doxercalciferol Vitamin D receptor agonist VDR Vitamin D receptor agonist 2271 66.79 cp BRD-K06878038 deferiprone Chelating agent CYP4F2 Chelating agent 2272 66.79 cp BRD-K11163873 phenanthridone PARP inhibitor PARP1 PARP inhibitor 2275 66.74 cp BRD-K93332168 isocarboxazid Monoamine oxidase inhibitor MAOA, MAOB Monoamine oxidase inhibitor 2278 66.74 cp BRD-K47323024 methapyrilene Histamine receptor antagonist Histamine receptor antagonist 2281 66.7 cp BRD-K12762134 XAV-939 Tankyrase inhibitor TNKS, TNKS2 Tankyrase inhibitor 2287 66.5 cp BRD-K65786282 CGP-7930 GABA receptor modulator GABBR1 GABA receptor modulator, GABA receptor positive allosteric modulator 2295 66.32 cp BRD-K39670393 amthamine Histamine receptor agonist HRH2 Histamine receptor agonist 2307 66.05 cp BRD-K32412559 morphothebaine Adrenergic receptor antagonist Adrenergic receptor antagonist 2310 66 cp BRD-K69840642 ISOX HDAC inhibitor HDAC6 HDAC inhibitor 2313 65.88 cp BRD-K89046952 ciclacillin Bacterial cell wall synthesis inhibitor Bacterial cell wall synthesis inhibitor 2316 65.83 cp BRD-K68402494 ML-9 Myosin light chain kinase inhibitor MLCK, TRPC6, PKA, PKC Myosin light chain kinase inhibitor 2319 65.78 cp BRD-A51393488 noscapine Bradykinin receptor antagonist BDKRB2, SIGMAR1 Bradykinin receptor antagonist, Tubulin inhibitor 2321 65.75 cp BRD-A47706533 L-BSO Glutathione transferase inhibitor GCLM Glutathione transferase inhibitor 2323 65.66 cp BRD-A36318220 necrostatin-1 RIPK inhibitor IDO1, KRR1, RIPK1 RIPK inhibitor 2325 65.6 cp BRD-K67578145 GDC-0879 RAF inhibitor BRAF RAF inhibitor 2330 65.55 cp BRD-K28143534 cyproheptadine Histamine receptor antagonist HRH1, ADRA1A, ADRA1B, ADRA1D, CHRM1, CHRM2, CHRM3, HTR2A, HTR2B, HTR2C, HTR6, HTR7 Histamine receptor antagonist 2331 65.54 cp BRD-A09094913 strychnine Acetylcholine receptor antagonist GLRA1, CHRM1, CHRM2, CHRM3, CHRM4, CHRM5, CHRNA10, CHRNA9, GLRA2, GLRA3, GLRB Acetylcholine receptor antagonist 2332 65.5 cp BRD-K53913732 SB-408124 Orexin receptor antagonist HCRTR1, HCRTR2 Orexin receptor antagonist 2334 65.47 cp BRD-K97056771 HY-11007 BCR-ABL kinase inhibitor ABL1, BCR BCR-ABL kinase inhibitor 2336 65.41 cp BRD-A00993607 alprenolol Adrenergic receptor antagonist ADRB1, ADRB2, HTR1A Adrenergic receptor antagonist 2337 65.4 cp BRD-A39969961 eplerenone Cytochrome P450 inhibitor NR3C2, CYP3A5 Cytochrome P450 inhibitor 2339 65.37 cp BRD-K99291625 SB-203580 p38 MAPK inhibitor MAPK14, MAPK1, MAPK11, AKT1, ALOX5, CHEK1, CYP2D6, CYP3A4, GAK, GSK3B, LCK, MAPK10, MAPK12, MAPK8, MAPK9, PRKCA, RAF1, RIPK2, ROCK1, RPS6KB1, SGK1, SRC, TNF p38 MAPK inhibitor 2341 65.3 cp BRD-K88679075 methandriol Androgenic steroid Androgenic steroid 2346 65.24 cp BRD-K63784565 BRD-K63784565 Topoisomerase inhibitor TOP1 Topoisomerase inhibitor 2347 65.23 cp BRD-K57033106 tripelennamine Histamine receptor antagonist HRH1 Histamine receptor antagonist 2349 65.22 cp BRD-K10177585 PSB-11 Adenosine receptor antagonist ADORA3, ADORA1, ADORA2A Adenosine receptor antagonist 2350 65.21 cp BRD-K34415467 trimethobenzamide Histamine receptor antagonist DRD2 Histamine receptor antagonist 2361 64.96 cp BRD-K17743125 belinostat HDAC inhibitor HDAC1, HDAC2, HDAC3, HDAC4, HDAC5, HDAC6, HDAC7, HDAC8, HDAC9 HDAC inhibitor 2369 64.69 cp BRD-A59215453 lobelanidine Acetylcholine receptor antagonist SLC18A2, CHRNA10, CHRNA4, CHRNA9, CHRNB2, OPRM1 Acetylcholine receptor antagonist, Dopamine receptor modulator, Opioid receptor antagonist, Vesicular monoamine transporter ligand 2372 64.63 cp BRD-K00675675 CL-82198 Metalloproteinase inhibitor MMP13 Metalloproteinase inhibitor 2373 64.62 cp BRD-K76587808 fraxetin Antioxidant Antioxidant 2375 64.59 cp BRD-A51382177 fosinopril ACE inhibitor ACE, ABCG2 ACE inhibitor 2381 64.4 cp BRD-K12260308 xanthoxyline Antifungal Antifungal 2383 64.31 cp BRD-K25875056 SC-9 Protein tyrosine kinase activator Protein tyrosine kinase activator 2394 64.19 cp BRD-K34776109 glimepiride Insulin secretagogue ABCC8, KCNJ11, KCNJ1 Insulin secretagogue 2397 64.17 cp BRD-K33211335 dextromethorphan Glutamate receptor antagonist SIGMAR1, CHRNA2, CHRNA3, CHRNA4, CHRNA7, CHRNB2, CHRNB4, CYBA, CYBB, CYP3A5, GRIN1, GRIN3A, NCF1, NCF2, NCF4, OPRD1, OPRK1, OPRM1, PGRMC1, RAC1, RAC2, SLC6A2, SLC6A4 Glutamate receptor antagonist, Sigma receptor agonist 2400 64.14 cp BRD-A17448384 beclometasone Glucocorticoid receptor agonist NR3C1, CYP3A5, GPR97, SERPINA6 Glucocorticoid receptor agonist 2402 64.11 cp BRD-A42423104 benproperine Antitussive Antitussive 2404 64.08 cp BRD-K41260949 valproic-acid HDAC inhibitor ABAT, HDAC1, SCN1A, SCN3A, ACADSB, ALDH5A1, HDAC2, HDAC9, OGDH, SCN10A, SCN11A, SCN1B, SCN2A, SCN2B, SCN3B, SCN4A, SCN4B, SCN5A, SCN7A, SCN8A, SCN9A HDAC inhibitor 2406 64.02 cp BRD-K15409150 penfluridol T-type calcium channel blocker CACNA1G, DRD1, DRD2 T-type calcium channel blocker 2408 63.96 cp BRD-M72442222 vicriviroc CC chemokine receptor antagonist CCR5 CC chemokine receptor antagonist 2409 63.96 cp BRD-K06712146 YM-90709 IL5 inhibitor CSF2RB, IL5RA IL5 inhibitor 2414 63.82 cp BRD-K52172416 anastrozole Aromatase inhibitor CYP19A1 Aromatase inhibitor 2415 63.79 cp BRD-K58299615 RO-90-7501 Beta amyloid inhibitor APP Beta amyloid inhibitor 2420 63.75 cp BRD-K33818169 GW-3965 LXR agonist NR1H2, NR1H3, ABCA1 LXR agonist, ABC transporter expression enhancer 2422 63.71 cp BRD-K46424862 hymecromone Monoamine oxidase inhibitor MAOA Monoamine oxidase inhibitor 2423 63.66 cp BRD-K67847053 guanabenz Adrenergic receptor agonist ADRA2A, ADRA2B, ADRA2C Adrenergic receptor agonist 2424 63.65 cp BRD-K86191271 cytosporone-b NUR77 receptor agonist NR4A1 NUR77 receptor agonist 2427 63.56 cp BRD-K94887716 TFMPP Serotonin receptor agonist Serotonin receptor agonist, Serotonin receptor antagonist 2432 63.49 cp BRD-K72816382 cinalukast Leukotriene receptor antagonist CYSLTR1 Leukotriene receptor antagonist 2441 63.33 cp BRD-K78294846 osthol Calcium channel blocker Calcium channel blocker 2442 63.33 cp BRD-K96354014 nifedipine Calcium channel blocker CACNA1C, CACNA1D, CACNA1S, CACNA2D1, CACNA1F, CACNA1H, CACNB2, CALM1, CYP3A5, GLRA1, GLRA3, GLRB, KCNA1, KCNA5, NR1I2, TRPM3 Calcium channel blocker 2443 63.3 cp BRD-K40782193 QX-222 Sodium channel blocker Sodium channel blocker 2449 63.16 cp BRD-K00673382 famotidine Histamine receptor antagonist HRH2 Histamine receptor antagonist 2455 63.09 cp BRD-K02123250 JNJ-38877605 Tyrosine kinase inhibitor MET Tyrosine kinase inhibitor 2460 63 cp BRD-A64479082 quinidine Sodium channel blocker SCN5A, ABCB1, CYP2D6, KCNA5, KCNA7, KCNH1, KCNH2, KCNH5, KCNK1, KCNK6, SLC29A4 Sodium channel blocker 2463 62.98 cp BRD-K67017579 cilostazol Phosphodiesterase inhibitor PDE3A, CYP2C19, CYP3A5, PDE3B Phosphodiesterase inhibitor 2464 62.96 cp BRD-A27887842 prednisolone Glucocorticoid receptor agonist NR3C1, NR3C2, SERPINA6 Glucocorticoid receptor agonist 2467 62.95 cp BRD-K18135438 chenodeoxycholic-acid 11-beta-HSD1 inhibitor HSD11B1, NR1H4 11-beta-HSD1 inhibitor, FXR agonist 2470 62.91 cp BRD-K36627727 tamibarotene Retinoid receptor agonist RARA, RARB Retinoid receptor agonist 2472 62.88 cp BRD-A16332958 modafinil Adrenergic receptor agonist ADRA1B, CYP1A2, CYP2B6, CYP2C19, CYP3A4, CYP3A5, SLC6A3 Adrenergic receptor agonist 2488 62.69 cp BRD-A41555725 chlortetracycline Protein synthesis inhibitor Protein synthesis inhibitor 2489 62.68 cp BRD-K92015269 GBR-12783 Dopamine uptake inhibitor Dopamine uptake inhibitor 2491 62.66 cp BRD-K85603128 resorcinol Phosphodiesterase inhibitor CA12, CA14, CA2, PTGS1 Phosphodiesterase inhibitor 2498 62.58 cp BRD-K32710582 EI-247 IGF-1 inhibitor INSR IGF-1 inhibitor 2500 62.54 cp BRD-K51066026 aminoindazole Ionophore Ionophore 2501 62.53 cp BRD-K94270326 ecopipam Dopamine receptor antagonist DRD1, DRD5, DRD2 Dopamine receptor antagonist 2502 62.53 cp BRD-A66563878 medetomidine Adrenergic receptor agonist ADRA2A, ADRA2B, ADRA2C, ADRA1A, ADRA1B, ADRA1D Adrenergic receptor agonist 2505 62.47 cp BRD-K06426971 ryuvidine Histone lysine methyltransferase inhibitor CDK4, CDK2 Histone lysine methyltransferase inhibitor 2509 62.4 cp BRD-K97118047 4,5,6,7-tetrabromobenzotriazole Casein kinase inhibitor CSNK2A1, AKT1, CHEK1, CSNK2A2, CSNK2B, GSK3B, LCK, MAP2K1, MAPK1, MAPK11, MAPK12, MAPK14, MAPK8, PRKCA, ROCK1, RPS6KB1, SGK1 Casein kinase inhibitor 2512 62.36 cp BRD-A89175223 bisoprolol Adrenergic receptor antagonist ADRB1, ADRB2 Adrenergic receptor antagonist 2522 62.22 cp BRD-A31204924 mitotane Antineoplastic CYP11B1, CYP11A1, CYP3A4, ESR1, FDX1 Antineoplastic 2535 61.96 cp BRD-K22193694 dioxybenzone Topical sunscreen agent Topical sunscreen agent 2536 61.95 cp BRD-K00486786 RO-08-2750 NGF binding inhibitor NGFR, NGF NGF binding inhibitor 2545 61.79 cp BRD-K10860596 granisetron Serotonin receptor antagonist HTR3A, CYP3A5 Serotonin receptor antagonist 2546 61.78 cp BRD-A74980173 gatifloxacin Bacterial DNA gyrase inhibitor Bacterial DNA gyrase inhibitor 2551 61.73 cp BRD-A33447119 oxfendazole Anthelmintic Anthelmintic 2558 61.63 cp BRD-K18194590 mephentermine Adrenergic receptor agonist ADRA1A, ADRA1B, ADRA1D, ADRA2A, ADRA2B, ADRA2C, ADRB1, ADRB2, ADRB3 Adrenergic receptor agonist 2561 61.62 cp BRD-K22031190 diflunisal Prostanoid receptor antagonist PTGS2, PTGS1 Prostanoid receptor antagonist 2562 61.54 cp BRD-A20126139 medrysone Glucocorticoid receptor agonist NR3C1 Glucocorticoid receptor agonist 2565 61.49 cp BRD-K32755366 reserpic-acid Norepinephrine transporter inhibitor Norepinephrine transporter inhibitor 2569 61.45 cp BRD-K39915878 loxapine Dopamine receptor antagonist DRD2, DRD3, DRD4, DRD1, HRH1, HTR2A, HTR2C, HTR6, ADRA1A, ADRA1B, ADRA2A, ADRA2B, ADRA2C, ADRB1, CHRM1, CHRM2, CHRM3, CHRM4, CHRM5, DRD5, HRH2, HRH4, HTR1A, HTR1B, HTR1D, HTR1E, HTR3A, HTR5A, HTR7, SLC6A2, SLC6A3, SLC6A4 Dopamine receptor antagonist, Dopamine receptor ligand, Serotonin receptor antagonist 2570 61.4 cp BRD-K18574842 nafcillin Bacterial cell wall synthesis inhibitor CYP3A4 Bacterial cell wall synthesis inhibitor 2581 61.19 cp BRD-K34820100 tebuthiuron Photosynthesis inhibitor Photosynthesis inhibitor 2594 60.96 cp BRD-A39172021 ampiroxicam Cyclooxygenase inhibitor PTGS1, PTGS2 Cyclooxygenase inhibitor 2596 60.95 cp BRD-K94379058 BML-190 Cannabinoid receptor inverse agonist CNR2 Cannabinoid receptor inverse agonist 2597 60.92 cp BRD-K00603606 ticlopidine Purinergic receptor antagonist P2RY12, CYP2B6, CYP2C19 Purinergic receptor antagonist 2598 60.89 cp BRD-K37130656 rivaroxaban Coagulation inhibitor F10, CYP2J2, CYP3A5 Coagulation inhibitor 2603 60.76 cp BRD-K99616396 motesanib KIT inhibitor FLT1, FLT4, KDR, KIT, PDGFRA, RET KIT inhibitor, PDGFR receptor inhibitor, VEGFR inhibitor 2606 60.75 cp BRD-K10016611 pyridine-2-aldoxime Acetylcholinesterase inhibitor ACHE, BCHE Acetylcholinesterase inhibitor 2610 60.66 cp BRD-K76617868 fasudil Rho associated kinase inhibitor ROCK1, ROCK2, PKIA, PRKACA Rho associated kinase inhibitor 2611 60.63 cp BRD-A65145453 ATPA Glutamate receptor agonist GRIK1, GRIA2 Glutamate receptor agonist 2612 60.61 cp BRD-K63915849 AS-604850 PI3K inhibitor PIK3CG, PIK3CA PI3K inhibitor 2618 60.5 cp BRD-A56987319 SQ-22536 Adenylyl cyclase inhibitor ADCY1, ADCY5 Adenylyl cyclase inhibitor 2620 60.44 cp BRD-A90799790 isradipine Calcium channel blocker CACNA1C, CACNA1D, CACNA2D1, CACNA1F, CACNA1H, CACNA1S, CACNA2D2, CACNB2 Calcium channel blocker 2623 60.42 cp BRD-A88254928 salbutamol Adrenergic receptor agonist ADRB2, ADRB1 Adrenergic receptor agonist 2625 60.39 cp BRD-K83636919 entacapone Catechol O methyltransferase inhibitor COMT Catechol O methyltransferase inhibitor 2626 60.39 cp BRD-K09186807 KIN001-244 Phosphoinositide dependent kinase inhibitor PDPK1 Phosphoinositide dependent kinase inhibitor 2627 60.38 cp BRD-K07220430 cinnarizine Calcium channel blocker HRH1, CACNA1C, CACNA1D, CACNA1F, CACNA1G, CACNA1H, CACNA1I, CACNA1S, CHRM1, CHRM2, CHRM3, CHRM4, CHRM5, DRD1, DRD2, DRD5 Calcium channel blocker 2636 60.23 cp BRD-A65282128 cefazolin Bacterial cell wall synthesis inhibitor PON1, SLC22A8 Bacterial cell wall synthesis inhibitor 2643 60.02 cp BRD-K47631482 bromhexine Mucolytic agent Mucolytic agent 2648 59.9 cp BRD-K97061094 azacyclonol Histamine receptor antagonist HRH1 Histamine receptor antagonist 2650 59.75 cp BRD-K93280214 gabazine GABA receptor antagonist GABRA1, GABRA2, GABRA3, GABRA4, GABRA5, GABRA6, GABRG2 GABA receptor antagonist 2662 59.5 cp BRD-A43974575 tranylcypromine Monoamine oxidase inhibitor MAOA, MAOB, KDM1A, CYP2A6 Monoamine oxidase inhibitor 2663 59.49 cp BRD-A18497530 5-iodotubercidin Adenosine kinase inhibitor MAPK3, ADK, CSNK1G2, GSG2, LRRK2 Adenosine kinase inhibitor 2664 59.46 cp BRD-A49046702 SKF-89976A GABA uptake inhibitor SLC6A1 GABA uptake inhibitor 2667 59.41 cp BRD-K94070024 depomedrol Glucocorticoid receptor agonist Glucocorticoid receptor agonist 2671 59.34 cp BRD-M45964048 verteporfin Photosensitizing agent Photosensitizing agent 2674 59.27 cp BRD-K14965640 ibuprofen Cyclooxygenase inhibitor PTGS2, PTGS1, ASIC1, BCL2, CFTR, CYP2C8, FABP2, PLAT, PPARG, SLC5A8, THBD Cyclooxygenase inhibitor 2675 59.25 cp BRD-K93080877 Ala-Ala-Phe-CMK Tripeptidyl peptidase inhibitor TPP2 Tripeptidyl peptidase inhibitor 2678 59.19 cp BRD-K32645441 dipropyl-5ct Serotonin receptor agonist HTR1B, HTR1D, HTR1F, HTR7 Serotonin receptor agonist 2681 59.14 cp BRD-K69763916 LY-341495 Glutamate receptor antagonist GRM2, GRM3 Glutamate receptor antagonist 2682 59.11 cp BRD-K76534306 enrofloxacin Bacterial DNA gyrase inhibitor Bacterial DNA gyrase inhibitor 2684 59.1 cp BRD-A80574334 oxalomalic-acid Isocitrate dehydrogenase inhibitor ACO1, IDH1 Isocitrate dehydrogenase inhibitor 2688 59 cp BRD-K86301799 dipyridamole Phosphodiesterase inhibitor ADA, PDE5A, PDE10A, PDE4A, PDE7B, PDE8A, PDE8B, SLC29A1 Phosphodiesterase inhibitor 2689 59 cp BRD-K81128206 edrophonium Acetylcholinesterase inhibitor ACHE, BCHE Acetylcholinesterase inhibitor 2692 58.96 cp BRD-K41996876 tyrphostin-1 EGFR inhibitor EGFR EGFR inhibitor 2695 58.87 cp BRD-K95992530 Cyclo-+AFs-Arg-Gly-Asp-D-Phe-Val+AF0- integrin antagonist ITGAV, ITGB3 integrin antagonist 2698 58.83 cp BRD-K81209159 herniarin Acetylcholinesterase inhibitor ACHE, CA1, CA12, CA14, CA4, CA6, CA9 Acetylcholinesterase inhibitor 2700 58.73 cp BRD-K89210380 biotin Vitamin B ACACA, ACACB, HLCS, MCCC1, MCCC2, PC, PCCA, PCCB, SLC5A6 Vitamin B 2704 58.7 cp BRD-K30649484 mafenide Carbonic anhydrase inhibitor CA6, CA12, CA14, CA2, CA4, CA9 Carbonic anhydrase inhibitor 2705 58.69 cp BRD-K14693417 cinchonine P-glycoprotein inhibitor CYP2D6 P-glycoprotein inhibitor 2712 58.52 cp BRD-A72441487 stiripentol GABA uptake inhibitor ABAT, SCN1A, SCN3A GABA uptake inhibitor 2715 58.48 cp BRD-A21858158 praziquantel Anthelmintic Anthelmintic 2716 58.47 cp BRD-A42167015 carteolol Adrenergic receptor antagonist ADRB1, ADRB2 Adrenergic receptor antagonist 2717 58.46 cp BRD-K39733634 L-161982 Prostanoid receptor antagonist PTGER4 Prostanoid receptor antagonist, Angiotensin receptor antagonist 2725 58.33 cp BRD-K12002134 megestrol progesterone receptor agonist PGR progesterone receptor agonist 2732 58.13 cp BRD-K73991644 isoquercetin Aldose reductase inhibitor AKR1B1, ACE Aldose reductase inhibitor 2735 58.09 cp BRD-K29582677 flunarizine Calcium channel blocker CACNA1G, CACNA1H, CACNA1I, CALM1, CYP2J2, HRH1 Calcium channel blocker 2741 58.04 cp BRD-K53318339 vinpocetine Phosphodiesterase inhibitor PDE1A, PDE1C, SCN10A Phosphodiesterase inhibitor, Sodium channel blocker 2746 57.92 cp BRD-K28936863 ketotifen Histamine receptor agonist HRH1, PDE4A, PDE4B, PDE4C, PDE4D, PDE7A, PDE7B, PDE8A, PDE8B, PGD Histamine receptor agonist, Histamine receptor ligand, Leukotriene receptor antagonist, Phosphodiesterase inhibitor 2754 57.82 cp BRD-K68756823 FR-180204 -666 MAPK1, MAPK3 -666 2779 57.25 cp BRD-K62363391 dapsone Bacterial antifolate DHFR Bacterial antifolate 2780 57.23 cp BRD-K76274772 MAPP-D-erythro Ceramidase inhibitor Ceramidase inhibitor 2782 57.2 cp BRD-K92723993 imatinib BCR-ABL kinase inhibitor ABL1, KIT, PDGFRA, BCR, CSF1R, PDGFRB, ABCG2, CYP2C19, CYP2C8, CYP3A5, DDR1, NTRK1, RET BCR-ABL kinase inhibitor, KIT inhibitor, PDGFR receptor inhibitor 2785 57.16 cp BRD-K07881437 danusertib Aurora kinase inhibitor AURKA, AURKB, AURKC, FGFR1, NTRK1, RET, BCR, SLK Aurora kinase inhibitor, Growth factor receptor inhibitor 2787 57.05 cp BRD-A38898897 GW-311616 Leukocyte elastase inhibitor ELANE Leukocyte elastase inhibitor 2793 56.94 cp BRD-A16934955 nalbuphine Opioid receptor agonist OPRD1, OPRK1, OPRM1 Opioid receptor agonist, Opioid receptor antagonist 2794 56.94 cp BRD-K64610608 EMF-bca1-57 caspase inhibitor CASP3 caspase inhibitor 2795 56.93 cp BRD-K51751936 alfadolone GABA receptor agonist GABA receptor agonist 2801 56.87 cp BRD-K15262564 mupirocin Isoleucyl-tRNA synthetase inhibitor Isoleucyl-tRNA synthetase inhibitor 2802 56.85 cp BRD-K05658747 raltegravir HIV integrase inhibitor HIV integrase inhibitor 2807 56.74 cp BRD-K79116891 proxymetacaine Sodium channel blocker SCN10A, SCN5A, SCN9A Sodium channel blocker 2809 56.72 cp BRD-A08187463 racecadotril Enkephalinase inhibitor MME Enkephalinase inhibitor 2810 56.7 cp BRD-K80738081 resveratrol Cytochrome P450 inhibitor PTGS1, PTGS2, SIRT1, APOA1, BACE1, CSNK2A1, MAOA, NQO2, SCN5A, TXNRD1, TXNRD2, XDH Cytochrome P450 inhibitor, SIRT activator 2817 56.59 cp BRD-K94919853 10H-phenothiazin-10-yl)(p-tolyl)methanone Butyrylcholinesterase inhibitor BCHE Butyrylcholinesterase inhibitor 2821 56.53 cp BRD-K72264770 QW-BI-011 Histone lysine methyltransferase inhibitor EHMT2 Histone lysine methyltransferase inhibitor 2824 56.48 cp BRD-K37792168 denbufylline Phosphodiesterase inhibitor PDE4A, PDE4B, PDE4D Phosphodiesterase inhibitor 2831 56.38 cp BRD-K79437791 acetyl-farnesyl-cysteine Inhibitor of methylation of endogenous isoprenylated proteins PPARG Inhibitor of methylation of endogenous isoprenylated proteins 2832 56.38 cp BRD-K49671696 ketanserin Serotonin receptor antagonist HTR2A, HTR2C, ADRA1A, ADRA1B, ADRA1D, DRD1, DRD5, HTR1A, HTR1B, HTR1D, HTR2B, HTR5A, HTR7, SLC18A1, SLC18A2 Serotonin receptor antagonist 2843 56.23 cp BRD-K57926513 tyrphostin-AG-1295 PDGFR receptor inhibitor FLT3, KDR, PDGFRA, PDGFRB PDGFR receptor inhibitor 2844 56.23 cp BRD-K73589491 nizatidine Histamine receptor antagonist HRH2 Histamine receptor antagonist 2847 56.14 cp BRD-K08109516 L-701324 Glutamate receptor antagonist GRIN1, GRIN2A, GRIN2B, GRIN2C, GRIN2D Glutamate receptor antagonist 2852 55.98 cp BRD-K93460210 lamotrigine Serotonin receptor antagonist SCN1A, SCN2A, SCN3A Serotonin receptor antagonist, Sodium channel blocker 2856 55.92 cp BRD-A59174698 ritodrine Adrenergic receptor agonist ADRB2 Adrenergic receptor agonist 2865 55.81 cp BRD-K93880783 stavudine DNA directed DNA polymerase inhibitor DNA directed DNA polymerase inhibitor, Reverse transcriptase inhibitor 2870 55.69 cp BRD-A40639672 ketorolac Cyclooxygenase inhibitor PTGS1, PTGS2 Cyclooxygenase inhibitor 2873 55.61 cp BRD-K76775527 nimesulide Cyclooxygenase inhibitor PTGS2, LTF, PLA2G2E, PTGS1 Cyclooxygenase inhibitor 2874 55.59 cp BRD-K14643723 4-(2-Amino-ethyl)-benzenesulfonamide carbonic anhydrase inhibitor CA2, CA1, CA9, CA12, CA14, CA4 carbonic anhydrase inhibitor 2883 55.25 cp BRD-A12560204 nitrendipine Calcium channel blocker CACNA1C, CACNA1D, CACNA2D1, CACNA1H, CACNA1S, CACNA2D2, CACNB2, CACNG1, KCNN4 Calcium channel blocker 2887 55.16 cp BRD-K30097969 pitavastatin HMGCR inhibitor HMGCR, APOA1, CYP2C8 HMGCR inhibitor 2888 55.16 cp BRD-A09925278 etilefrine Adrenergic receptor agonist ADRA1A, ADRB1 Adrenergic receptor agonist 2890 55.09 cp BRD-K28029915 dolasetron Serotonin receptor antagonist HTR3A Serotonin receptor antagonist 2897 54.97 cp BRD-A79314293 cephalosporanic-acid Bacterial cell wall synthesis inhibitor Bacterial cell wall synthesis inhibitor 2898 54.94 cp BRD-K24132293 piperlongumine Glutathione transferase inhibitor Glutathione transferase inhibitor 2909 54.77 cp BRD-K11696279 BU-239 Imidazoline receptor agonist Imidazoline receptor agonist, Imidazoline receptor ligand 2911 54.75 cp BRD-K23623876 decafluorobutane Contrast agent GRM5 Contrast agent 2920 54.67 cp BRD-A10715913 sulpiride Dopamine receptor antagonist DRD2, CA7, DRD3, CA1, CA12 Dopamine receptor antagonist 2921 54.66 cp BRD-A29734509 disopyramide Sodium channel blocker SCN5A, CHRM1, CHRM2, CHRM3, KCND2, KCND3, KCNH2 Sodium channel blocker 2934 54.55 cp BRD-A69512159 carbidopa Aromatic L-amino acid decarboxylase inhibitor DDC Aromatic L-amino acid decarboxylase inhibitor 2937 54.51 cp BRD-K72676686 fluvoxamine Selective serotonin reuptake inhibitor (SSRI) SLC6A4, CYP2C19 Selective serotonin reuptake inhibitor (SSRI) 2943 54.44 cp BRD-K18757346 U-46619 Thromboxane receptor agonist PTGDR, PTGDR2, PTGER1, PTGER2, PTGER3, PTGER4, PTGFR, PTGIR, TBXA2R Thromboxane receptor agonist 2948 54.33 cp BRD-A20589515 dihydroxyphenylglycine Glutamate receptor agonist GRM1 Glutamate receptor agonist 2949 54.32 cp BRD-A79237180 ascorbic-acid Antioxidant AKR1B1 Antioxidant 2954 54.25 cp BRD-K32526544 DCEBIO Potassium channel activator KCNN2, KCNN3, KCNN4 Potassium channel activator 2961 54.18 cp BRD-A71657825 2-(biphenyl-4-ylsulfonamido)pentanedioic-acid Matrix metalloprotease inhibitor MMP13, MMP8, MMP9 Matrix metalloprotease inhibitor 2964 54.11 cp BRD-K28075147 biochanin-a Estrogen receptor agonist Estrogen receptor agonist 2966 54.07 cp BRD-A68281735 REV-5901 Leukotriene receptor antagonist ALOX5 Leukotriene receptor antagonist, Lipoxygenase inhibitor 2973 53.93 cp BRD-K31283835 tofacitinib JAK inhibitor JAK3, JAK1, JAK2, CYP2C19, TYK2 JAK inhibitor 2983 53.74 cp BRD-K96720755 relcovaptan Vasopressin receptor antagonist AVPR1A, AVPR1B, AVPR2, OXTR Vasopressin receptor antagonist 2994 53.52 cp BRD-A78377521 monastrol Kinesin-like spindle protein inhibitor KIF11 Kinesin-like spindle protein inhibitor 2998 53.43 cp BRD-K18678457 ZD-7288 HCN channel blocker HCN1, HCN2, HCN3, HCN4 HCN channel blocker 2999 53.41 cp BRD-K59331372 SB-366791 TRPV antagonist TRPV1 TRPV antagonist 3011 53.08 cp BRD-A50928468 norgestrel Progesterone receptor agonist CYP2E1, PGR Progesterone receptor agonist 3016 53.03 cp BRD-K40965114 cyanopindolol Adrenergic receptor antagonist HTR1D Adrenergic receptor antagonist 3019 52.98 cp BRD-K15834839 lobendazole Anthelmintic Anthelmintic 3023 52.93 cp BRD-K20986251 lithocholic-acid FXR antagonist NR1I2, VDR, GPBAR1, MDM2, MDM4, NR1H4, PTPN1 FXR antagonist, MDM inhibitor, PXR ligand, Tyrosine phosphatase inhibitor, Vitamin D receptor agonist, Vitamin D receptor ligand 3034 52.7 cp BRD-K64614248 salicin Anti-inflammatory Anti-inflammatory 3037 52.67 cp BRD-K42679050 Y-27152 Potassium channel activator ABCC9, KCNJ8 Potassium channel activator 3042 52.56 cp BRD-A56245458 reichstein Androgen receptor antagonist AR Androgen receptor antagonist 3049 52.44 cp BRD-K43236057 piceid ICAM1 inhibitor GAA, XDH ICAM1 inhibitor 3061 52.21 cp BRD-K47539947 tetradecylthioacetic-acid Lipid peroxidase inhibitor Lipid peroxidase inhibitor 3062 52.18 cp BRD-K23335153 AMN-082 Glutamate receptor modulator GRM7 Glutamate receptor modulator, Glutamate receptor positive allosteric modulator 3067 52.04 cp BRD-K06080977 eicosatetraynoic-acid Cyclooxygenase inhibitor ALOX12, PPARA, PPARG, PTGS1 Cyclooxygenase inhibitor, Lipoxygenase inhibitor 3071 51.99 cp BRD-A96897502 U-74389F Lipid peroxidase inhibitor Lipid peroxidase inhibitor 3072 51.97 cp BRD-K96740444 itopride Dopamine receptor antagonist DRD2, ACHE, CHRM3 Dopamine receptor antagonist 3078 51.88 cp BRD-K44094599 tacrolimus Calcineurin inhibitor FKBP1A, CYP3A5, CYP3A7 Calcineurin inhibitor 3083 51.8 cp BRD-M40783228 mesna Antioxidant Antioxidant 3084 51.79 cp BRD-K92301463 16,16-dimethylprostaglandin-e2 Prostanoid receptor agonist HPGD Prostanoid receptor agonist 3089 51.7 cp BRD-K67352070 TC-2559 Acetylcholine receptor agonist CHRNA4 Acetylcholine receptor agonist 3097 51.62 cp BRD-K12513978 fenbufen Cyclooxygenase inhibitor PTGS1, PTGS2 Cyclooxygenase inhibitor 3103 51.52 cp BRD-A24543851 nornicotine Acetylcholine receptor agonist Acetylcholine receptor agonist 3107 51.47 cp BRD-K80325895 eicosadienoic-acid -666 -666 3109 51.45 cp BRD-A41450521 tosufloxacin Bacterial DNA gyrase inhibitor Bacterial DNA gyrase inhibitor 3111 51.38 cp BRD-K08115555 tyrphostin-AG-1288 TNF production inhibitor COMT TNF production inhibitor 3112 51.34 cp BRD-K77771411 moxonidine Imidazoline receptor agonist NISCH, ADRA2A, ADRA2B, ADRA2C Imidazoline receptor agonist 3113 51.32 cp BRD-K68437527 EMF-bca1-60 caspase inhibitor caspase inhibitor 3114 51.29 cp BRD-K75699339 rizatriptan Serotonin receptor agonist HTR1D, HTR1B, HTR1F, HTR1A, HTR1E Serotonin receptor agonist 3118 51.19 cp BRD-K77998258 ganglioside SRC activator SRC activator 3120 51.19 cp BRD-K88789588 letrozole Aromatase inhibitor CYP19A1 Aromatase inhibitor 3121 51.13 cp BRD-K09778810 FGIN-1-27 Inositol monophosphatase inhibitor TSPO Inositol monophosphatase inhibitor 3125 51.07 cp BRD-K56596464 QX-314 Sodium channel blocker MAPK14, TGFBR1 Sodium channel blocker 3127 51.04 cp BRD-A80793822 pemoline Dopamine receptor agonist Dopamine receptor agonist 3130 51.02 cp BRD-K87932577 CDK1-5-inhibitor CDK inhibitor CDK1, CDK5, GSK3B CDK inhibitor, Glycogen synthase kinase inhibitor 3135 50.93 cp BRD-M47937986 cefatrizine Bacterial cell wall synthesis inhibitor Bacterial cell wall synthesis inhibitor 3136 50.93 cp BRD-K94144010 cotinine Nicotine metabolite Nicotine metabolite 3142 50.78 cp BRD-K16478699 PLX-4720 RAF inhibitor BRAF, KDR RAF inhibitor 3144 50.75 cp BRD-K09635134 l-erythro-MAPP negative control for D-erythro-MAPP negative control for D-erythro-MAPP 3154 50.55 cp BRD-K13810148 givinostat HDAC inhibitor HDAC2, HDAC1, HDAC3, HDAC4, HDAC5, HDAC6, HDAC7, HDAC8, HDAC9, IL1B, IL1R2, IL6R, TNF HDAC inhibitor 3155 50.55 cp BRD-K88871508 lisuride Dopamine receptor agonist DRD2, HTR2B, HTR2C, ADRA2A, ADRA2B, ADRA2C, DRD1, DRD3, DRD4, DRD5, HTR1A, HTR1B, HTR1D, HTR2A, ADRA1A, HRH1, HTR6 Dopamine receptor agonist 3164 50.33 cp BRD-A14574269 UB-165 Acetylcholine receptor agonist CHRNA3, CHRNA4, CHRNB2 Acetylcholine receptor agonist 3169 50.22 cp BRD-K11801786 trimidox Ribonucleotide reductase inhibitor RRM1 Ribonucleotide reductase inhibitor 3172 50.18 cp BRD-K59633790 VU-0420363-1 SARS coronavirus 3C-like protease inhibitor SARS coronavirus 3C-like protease inhibitor 3173 50.15 cp BRD-K67261995 adipiodone Contrast agent ALB Contrast agent 3175 50.12 cp BRD-K82846253 repaglinide Insulin secretagogue ABCC8, CYP2C8, CYP3A5, INS, KCNJ11, PPARG Insulin secretagogue 3177 50.08 cp BRD-K76908866 CP-724714 EGFR inhibitor ERBB2 EGFR inhibitor, Receptor tyrosine protein kinase inhibitor, Tyrosine kinase inhibitor 3188 49.93 cp BRD-K04993501 cefixime Bacterial cell wall synthesis inhibitor Bacterial cell wall synthesis inhibitor 3193 49.83 cp BRD-A11007541 BCI-hydrochloride Protein phosphatase inhibitor DUSP1, DUSP6 Protein phosphatase inhibitor 3194 49.81 cp BRD-K17294426 clebopride Dopamine receptor antagonist DRD2, ACHE Dopamine receptor antagonist 3196 49.73 cp BRD-A24191444 ifenprodil Adrenergic receptor antagonist GRIN1, GRIN2B Adrenergic receptor antagonist, Glutamate receptor antagonist 3197 49.73 cp BRD-A33711280 metixene Acetylcholine receptor antagonist CHRM5, CHRM1, CHRM2, CHRM3, CHRM4 Acetylcholine receptor antagonist 3199 49.72 cp BRD-K01253243 SB-590885 RAF inhibitor BRAF RAF inhibitor 3202 49.57 cp BRD-A19736161 ondansetron Serotonin receptor antagonist HTR3A, CYP2D6, CYP3A5, HTR1A, HTR1B, HTR3B, HTR4, OPRM1 Serotonin receptor antagonist 3204 49.55 cp BRD-K76698671 HNHA HDAC inhibitor HDAC1 HDAC inhibitor 3207 49.51 cp BRD-K91699951 benzonatate Local anesthetic SCN5A Local anesthetic 3210 49.47 cp BRD-K34441861 moexipril ACE inhibitor ACE, ACE2 ACE inhibitor 3211 49.44 cp BRD-U94846492 quinine Hemozoin biocrystallization inhibitor KCNN4, ABCB1, CYP2D6, GP9, KCNB2, SLC29A4 Hemozoin biocrystallization inhibitor 3213 49.38 cp BRD-K15086322 JNJ-10191584 Histamine receptor antagonist HRH4 Histamine receptor antagonist 3214 49.37 cp BRD-K88611939 aniracetam Glutamate receptor agonist DRD2, GRIA1, GRIA2, GRIA3, HTR2A, GRIA4 Glutamate receptor agonist 3224 49.18 cp BRD-K64835161 BRD-K64835161 -666 CLK1, CLK4, DYRK1B -666 3225 49.18 cp BRD-K12219985 glipizide Sulfonylurea ABCC8, KCNJ10, KCNJ11, PPARG Sulfonylurea 3226 49.17 cp BRD-K61993165 niacin NAD precursor with lipid lowering effects HCAR2, HCAR3, ACHE, DGAT2, HCAR1, NNMT, PTGDR, QPRT NAD precursor with lipid lowering effects, Vitamin B 3235 49.03 cp BRD-K68620903 dydrogesterone Progesterone receptor agonist PGR Progesterone receptor agonist 3236 48.96 cp BRD-K54987996 CAY-10578 Casein kinase inhibitor Casein kinase inhibitor 3239 48.94 cp BRD-K52751261 TAK-715 p38 MAPK inhibitor MAPK14, TNF p38 MAPK inhibitor 3243 48.92 cp BRD-K52219182 BRD-K52219182 Phosphodiesterase inhibitor Phosphodiesterase inhibitor 3245 48.9 cp BRD-A68589262 troxipide Glucosamine synthetase stimulant Glucosamine synthetase stimulant 3248 48.79 cp BRD-K67100011 pivmecillinam Bacterial cell wall synthesis inhibitor Bacterial cell wall synthesis inhibitor 3251 48.67 cp BRD-K74763371 bosentan Endothelin receptor antagonist EDNRB, EDNRA, ABCB1, CYP2C19, CYP3A4 Endothelin receptor antagonist 3255 48.61 cp BRD-K50128260 sildenafil Phosphodiesterase inhibitor PDE5A, PDE6G, PDE6H, SLCO1B1, SLCO1B3 Phosphodiesterase inhibitor 3256 48.59 cp BRD-K93095519 SJ-172550 MDM inhibitor MDM4 MDM inhibitor 3259 48.58 cp BRD-A23072235 pheniramine Histamine receptor antagonist HRH1 Histamine receptor antagonist 3260 48.57 cp BRD-A84702196 penicillin Bacterial cell wall synthesis inhibitor Bacterial cell wall synthesis inhibitor 3264 48.51 cp BRD-K34092021 arvanil TRPV agonist CNR1, TRPV1 TRPV agonist 3276 48.32 cp BRD-K82983861 GW-0742 PPAR receptor agonist INS, PPARD PPAR receptor agonist, Insulin sensitizer 3283 48.19 cp BRD-K75181824 acetyl-geranygeranyl-cysteine Inhibitor of methyl esterification of geranylgeranylated proteins Inhibitor of methyl esterification of geranylgeranylated proteins 3289 48.06 cp BRD-K08640512 RS-100329 Adrenergic receptor antagonist ADRA1A, ADRA1D Adrenergic receptor antagonist 3291 48.02 cp BRD-A15493168 tetracycline Bacterial 30S ribosomal subunit inhibitor PRNP Bacterial 30S ribosomal subunit inhibitor 3293 47.97 cp BRD-K24656285 farnesol FXR agonist MAOB, MVK, NR1H4 FXR agonist, Monoamine oxidase inhibitor, NFkB pathway activator, PPAR receptor agonist 3303 47.76 cp BRD-K81225797 SCH-58261 Adenosine receptor antagonist ADORA2A, ADORA1, ADORA2B, ADORA3 Adenosine receptor antagonist 3307 47.68 cp BRD-A94669766 naringenin Aromatase inhibitor CYP19A1, ESR2, CYP1B1, GLO1, HSD17B1 Aromatase inhibitor, TRPV antagonist 3310 47.63 cp BRD-K12932420 YM-976 Phosphodiesterase inhibitor PDE4A, PDE4B, PDE4C, PDE4D, TNF Phosphodiesterase inhibitor 3311 47.59 cp BRD-A82096673 KU-C103428N CDC inhibitor NFE2 CDC inhibitor, Rho associated kinase inhibitor 3313 47.53 cp BRD-K41564320 purvalanol-b Tyrosine kinase inhibitor CDK2, CDK4, MAPK1, MAPK3, CDK5, SRPK2 Tyrosine kinase inhibitor 3314 47.53 cp BRD-A55369275 CGP-54626 GABA receptor antagonist GABBR1, GABBR2, KCTD12, KCTD16, KCTD8 GABA receptor antagonist 3319 47.5 cp BRD-K66019333 oxantel Anthelmintic Anthelmintic 3321 47.48 cp BRD-A01787639 naftopidil Adrenergic receptor antagonist ADRA1A, ADRA1D Adrenergic receptor antagonist 3327 47.38 cp BRD-K11742128 triprolidine Histamine receptor antagonist HRH1 Histamine receptor antagonist 3330 47.34 cp BRD-K62206109 VUF-5681 Histamine receptor antagonist HRH3 Histamine receptor antagonist 3332 47.28 cp BRD-K57011718 UK-356618 Metalloproteinase inhibitor MMP3, MMP13, MMP14, MMP2, MMP9 Metalloproteinase inhibitor 3338 47.2 cp BRD-K61269089 daphnetin Protein kinase inhibitor Protein kinase inhibitor 3339 47.14 cp BRD-A46179541 doxapram Potassium channel blocker KCNK3, KCNK9 Potassium channel blocker 3341 47.09 cp BRD-K10098805 rhapontin Apoptosis stimulant Apoptosis stimulant 3349 46.97 cp BRD-A16478930 amcinonide Glucocorticoid receptor agonist NR3C1, ANXA1 Glucocorticoid receptor agonist 3352 46.92 cp BRD-A11135865 nor-binaltorphimine Opioid receptor antagonist Opioid receptor antagonist 3354 46.86 cp BRD-K30743633 TCPOBOP CAR agonist NR1I3 CAR agonist 3360 46.79 cp BRD-K85030058 benactyzine Acetylcholine receptor antagonist Acetylcholine receptor antagonist 3368 46.7 cp BRD-K25310650 ormetoprim Bacterial antifolate Bacterial antifolate 3372 46.6 cp BRD-K50417881 eticlopride Dopamine receptor antagonist DRD2, DRD3, DRD4 Dopamine receptor antagonist 3377 46.51 cp BRD-K41868777 W-5 Calmodulin antagonist Calmodulin antagonist 3380 46.48 cp BRD-K24994810 androstenol GABA receptor modulator NR1I3 GABA receptor modulator 3381 46.47 cp BRD-K06147391 telenzepine Acetylcholine receptor antagonist CHRM1 Acetylcholine receptor antagonist 3387 46.39 cp BRD-K74765201 tomelukast Leukotriene receptor antagonist CYSLTR1 Leukotriene receptor antagonist 3403 46.18 cp BRD-A00758722 noretynodrel Progestogen hormone PGR Progestogen hormone 3406 46.08 cp BRD-A92537424 danazol Estrogen receptor antagonist ESR1, GNRHR, AR, CCL2, CYP2C8, GNRHR2, PGR, TNF Estrogen receptor antagonist, Progesterone receptor agonist 3413 45.96 cp BRD-A57382968 piroxicam Cyclooxygenase inhibitor PTGS2, PTGS1 Cyclooxygenase inhibitor 3420 45.84 cp BRD-K15196155 IBC-293 Hydroxycarboxylic acid receptor agonist HCAR3 Hydroxycarboxylic acid receptor agonist 3422 45.75 cp BRD-K54142781 cirazoline Adrenergic receptor agonist ADRA1A Adrenergic receptor agonist 3428 45.64 cp BRD-K37447567 hydrocotarnine Opioid receptor antagonist Opioid receptor antagonist 3429 45.63 cp BRD-K36616567 doxepin Histamine receptor antagonist HRH1, HRH2, SLC6A2, SLC6A4, ADRA1A, ADRA1B, ADRA1D, ADRA2A, ADRA2B, ADRA2C, CHRM1, CHRM2, CHRM3, CHRM4, CHRM5, CYP2C19, DRD2, HRH4, HTR1A, HTR2A, HTR2B, HTR2C, HTR6, KCNH2, SLC6A3 Histamine receptor antagonist 3430 45.61 cp BRD-A78295502 hydroquinine Antiarrhythmic Antiarrhythmic 3431 45.6 cp BRD-K02637541 celecoxib Cyclooxygenase inhibitor PTGS2, CA12, CASP3, CYP2C19, PDPK1 Cyclooxygenase inhibitor 3432 45.6 cp BRD-A79672927 tropicamide Acetylcholine receptor antagonist CHRM3, CHRM4, CHRM1, CHRM2 Acetylcholine receptor antagonist 3438 45.51 cp BRD-A10523515 GSK-429286A Rho associated kinase inhibitor ROCK1 Rho associated kinase inhibitor 3440 45.49 cp BRD-A71765365 mepireserpate Catecholamine depleting sympatholytic SLC18A2, SLC18A1 Catecholamine depleting sympatholytic 3442 45.44 cp BRD-K08554278 bisbenzimide DNA binding agent BCL2L1, TOP1 DNA binding agent 3445 45.4 cp BRD-K43245338 MDL-28170 Calpain inhibitor CAPN1, CTSB, CTSL Calpain inhibitor 3457 45.2 cp BRD-K19111024 clofibric-acid PPAR receptor agonist PPARA PPAR receptor agonist 3459 45.15 cp BRD-K72783841 tyrphostin-AG-555 EGFR inhibitor CDK2, EGFR EGFR inhibitor 3460 45.15 cp BRD-K50495309 SRC-kinase-inhibitor-I SRC inhibitor CSK, LCK, RIPK2 SRC inhibitor 3466 45.05 cp BRD-K27351809 nomegestrol Progesterone receptor agonist PGR Progesterone receptor agonist 3467 44.99 cp BRD-K38055836 etamivan Respiratory stimulant Respiratory stimulant 3468 44.97 cp BRD-K80315159 DPPE Histamine receptor antagonist ABCB1, HRH1 Histamine receptor antagonist 3470 44.89 cp BRD-A44551378 LFM-A12 EGFR inhibitor EGFR EGFR inhibitor 3471 44.8 cp BRD-K65146499 nabumetone Cyclooxygenase inhibitor PTGS2, AKR1C3, CYP2B6, CYP2C19, CYP2E1, PTGS1 Cyclooxygenase inhibitor 3472 44.78 cp BRD-K82746043 navitoclax BCL inhibitor BCL2, BCL2L1, BCL2L2 BCL inhibitor 3473 44.77 cp BRD-K50891186 GR-103691 Dopamine receptor antagonist Dopamine receptor antagonist 3478 44.72 cp BRD-K76810206 nicergoline Adrenergic receptor antagonist ADRA1A Adrenergic receptor antagonist 3480 44.66 cp BRD-K76805682 SB-415286 Glycogen synthase kinase inhibitor GSK3B, GSK3A, RPS6KB1 Glycogen synthase kinase inhibitor 3481 44.62 cp BRD-K49404994 levetiracetam Calcium channel blocker SV2A, CACNA1B, SCN1A Calcium channel blocker 3486 44.47 cp BRD-K83144676 olmesartan Angiotensin antagonist AGTR1 Angiotensin antagonist 3487 44.42 cp BRD-K68132782 terbinafine Fungal squalene epoxidase inhibitor CYP2C19, CYP2C8, SQLE Fungal squalene epoxidase inhibitor 3488 44.41 cp BRD-K95763993 trapidil PDGFR receptor inhibitor PDGFRA PDGFR receptor inhibitor 3490 44.32 cp BRD-K07117950 imperatorin CDK inhibitor ACHE, HTR7 CDK inhibitor 3493 44.31 cp BRD-K42095107 daidzein Estrogen receptor agonist ESRRA, ESRRB, ESRRG, TRPC5 Estrogen receptor agonist 3502 44.22 cp BRD-K97158071 droperidol Dopamine receptor antagonist DRD2, ADRA1A Dopamine receptor antagonist 3504 44.2 cp BRD-K49111258 prazosin Adrenergic receptor antagonist ADRA1A, ADRA1B, ADRA1D, ADRA2A, ADRA2B, ADRA2C, CDK1, KCNH2, KCNH6, KCNH7 Adrenergic receptor antagonist 3507 44.15 cp BRD-K26548821 quinpirole Dopamine receptor agonist DRD2, DRD3, DRD4, DRD1, HTR1A, HTR2A, HTR2B, HTR2C Dopamine receptor agonist 3511 44.04 cp BRD-K45401373 betulinic-acid Apoptosis stimulant CASP3, CASP8, GPBAR1, TOP1 Apoptosis stimulant, Caspase activator, Diacylglycerol O acyltransferase inhibitor, HIV integrase inhibitor, NFkB pathway activator, NFkB pathway inhibitor, SARS coronavirus 3C-like protease inhibitor, Topoisomerase inhibitor 3517 43.92 cp BRD-K33864865 LY-225910 CCK receptor antagonist CCKBR CCK receptor antagonist 3524 43.79 cp BRD-A17819071 gedunin HSP inhibitor HSP90AA1 HSP inhibitor 3527 43.76 cp BRD-K09635314 M-3M3FBS phospholipase activator PLCB2, PLCB3, PLCD1, PLCG1, PLCG2 phospholipase activator 3532 43.65 cp BRD-K13926615 vardenafil Phosphodiesterase inhibitor PDE5A, CYP2C19, CYP2C8, CYP3A5, PDE6G, PDE6H Phosphodiesterase inhibitor 3533 43.65 cp BRD-K00610438 altanserin Serotonin receptor antagonist HTR2A, HTR2C Serotonin receptor antagonist 3544 43.42 cp BRD-K70778732 trazodone Adrenergic receptor antagonist HTR2A, HTR2C, SLC6A4, ADRA1A, ADRA2A, HRH1, HTR1A, HTR2B Adrenergic receptor antagonist, Serotonin receptor antagonist, Serotonin reuptake inhibitor 3546 43.36 cp BRD-K57569181 pentoxifylline Phosphodiesterase inhibitor TNF, ACHE, ADORA1, ADORA2A, ADRA2B, CHIA, NT5E, PDE4A, PDE4B, PDE5A Phosphodiesterase inhibitor 3560 42.95 cp BRD-A46393198 tetramisole Immunostimulant Immunostimulant 3563 42.93 cp BRD-K64800655 PHA-793887 CDK inhibitor CDK1, CDK2, CDK4, CDK5, CCND1, CCNE1, CDK7, CDK9 CDK inhibitor 3564 42.93 cp BRD-K39462424 dexchlorpheniramine Histamine receptor antagonist Histamine receptor antagonist 3565 42.93 cp BRD-A00520476 otenzepad Acetylcholine receptor antagonist Acetylcholine receptor antagonist 3568 42.89 cp BRD-K20313525 rosmarinic-acid GABA transaminase inhibitor MCL1, TYR GABA transaminase inhibitor 3571 42.84 cp BRD-U68942961 JW-7-24-1 LCK Inhibitor LCK LCK Inhibitor 3576 42.69 cp BRD-K31792052 pifithrin Interleukin receptor antagonist Interleukin receptor antagonist 3579 42.61 cp BRD-K03384561 roquinimex Angiogenesis inhibitor Angiogenesis inhibitor, TNF production inhibitor 3580 42.61 cp BRD-K54665485 R-59022 Diacylglycerol kinase inhibitor DGKA Diacylglycerol kinase inhibitor, Protein kinase inhibitor 3583 42.57 cp BRD-K66944906 fraxidin Carbonic anhydrase inhibitor CA1 Carbonic anhydrase inhibitor 3585 42.56 cp BRD-A35338386 NECA Adenosine receptor agonist ADORA1, ADORA2A, ADORA2B, ADORA3, HSP90B1 Adenosine receptor agonist 3586 42.49 cp BRD-A34817987 itraconazole Cytochrome P450 inhibitor CYP3A5, CYP3A7, CYP51A1, KDR Cytochrome P450 inhibitor 3587 42.48 cp BRD-K08619574 thioproperazine Dopamine receptor antagonist ADRA1A, ADRA1B, DRD1, DRD2, HTR1A, HTR2A Dopamine receptor antagonist 3590 42.42 cp BRD-K40758068 efavirenz HIV protease inhibitor CYP2B6, CYP2C19, CYP2C8, CYP3A4, CYP3A5 HIV protease inhibitor 3593 42.39 cp BRD-K84639753 safinamide Dopamine uptake inhibitor MAOB, SLC6A3 Dopamine uptake inhibitor, Glutamate inhibitor, Monoamine oxidase inhibitor 3594 42.39 cp BRD-A44133049 azasetron Serotonin receptor antagonist HTR3A, HTR3B Serotonin receptor antagonist 3611 42.08 cp BRD-K16508793 diazepam Benzodiazepine receptor agonist GABRA1, GABRA2, GABRA3, GABRA5, ADRA1A, CYP2C19, GABRA4, GABRA6, GABRB1, GABRB2, GABRB3, GABRD, GABRE, GABRG1, GABRG2, GABRG3, GABRP, GABRQ, GABRR1, GABRR2, GABRR3, TSPO Benzodiazepine receptor agonist 3614 42.01 cp BRD-K59456551 methotrexate Dihydrofolate reductase inhibitor DHFR, AOX1, FOLR1, TYMS Dihydrofolate reductase inhibitor 3620 41.95 cp BRD-K75532464 FTI-276 Farnesyltransferase inhibitor FNTA, FNTB Farnesyltransferase inhibitor 3624 41.93 cp BRD-K76568384 PHTPP Estrogen receptor antagonist ESR2 Estrogen receptor antagonist 3627 41.91 cp BRD-K41567364 SB-334867 Orexin receptor antagonist HCRTR1, HCRTR2 Orexin receptor antagonist 3630 41.78 cp BRD-K08287586 butylparaben DNA synthesis inhibitor DNA synthesis inhibitor 3633 41.72 cp BRD-A55946879 BW-B70C Lipoxygenase inhibitor ALOX5 Lipoxygenase inhibitor 3636 41.67 cp BRD-A48257147 PHCCC Glutamate receptor agonist GRM1, GRM4 Glutamate receptor agonist 3639 41.63 cp BRD-A36217750 sulfinpyrazone Uricosuric blocker ABCC1, ABCC2, FPR1, SLC22A12 Uricosuric blocker 3644 41.53 cp BRD-A09495397 bicuculline GABA receptor antagonist GABRA1, GABRA2, GABRA3, GABRA4, GABRA5, GABRA6, KCNN1 GABA receptor antagonist 3645 41.53 cp BRD-K30197592 5-methoxytryptamine Serotonin receptor agonist HTR2A, HTR6, HTR1B, HTR1D, HTR1E, HTR1F, HTR2C, HTR4, HTR7, TRPM8 Serotonin receptor agonist 3659 41.25 cp BRD-K52620403 STO-609 Calmodulin antagonist CAMKK1, CAMKK2 Calmodulin antagonist 3664 41.19 cp BRD-A09161221 nomilin HSP inhibitor HSP inhibitor 3668 41.1 cp BRD-K60770992 pergolide Dopamine receptor agonist DRD1, DRD2, ADRA2A, ADRA2B, ADRA2C, DRD3, DRD4, DRD5, HTR1A, HTR1B, HTR1D, HTR2A, HTR2B, HTR2C, ADRA1A, ADRA1B, ADRA1D, KCNA5 Dopamine receptor agonist 3671 41.03 cp BRD-K74402642 NSC-632839 Ubiquitin specific protease inhibitor USP2, USP7, SENP2, USP1 Ubiquitin specific protease inhibitor 3679 40.87 cp BRD-A39052811 mosapride Serotonin receptor agonist HTR4, HTR3A Serotonin receptor agonist 3685 40.81 cp BRD-K29668683 BD-1063 Sigma receptor antagonist SIGMAR1 Sigma receptor antagonist 3689 40.73 cp BRD-A85025557 NCS-382 GABA receptor antagonist GABBR1, GABBR2, SLC52A2 GABA receptor antagonist 3691 40.71 cp BRD-A83695761 chromanol Potassium channel blocker Potassium channel blocker 3693 40.7 cp BRD-A96255180 ribavirin Antiviral IMPDH1, ADK, ENPP1, IMPDH2, NT5C2 Antiviral 3695 40.7 cp BRD-K92991072 PAC-1 Caspase activator CASP3 Caspase activator 3696 40.69 cp BRD-K27499107 carbacyclin IP receptor activator PPARD, PTGDR, PTGER1, PTGER2, PTGER3, PTGER4, PTGFR, PTGIR, TBXA2R IP receptor activator, PPAR receptor agonist 3697 40.68 cp BRD-K55748775 SCH-28080 ATPase inhibitor ATP4A ATPase inhibitor 3699 40.66 cp BRD-K87048468 RS-102221 Serotonin receptor antagonist HTR2C, HTR2A, HTR2B Serotonin receptor antagonist 3703 40.6 cp BRD-K38615104 A-443644 AKT inhibitor AKT1, AKT2, AKT3, CDC42BPB, GSK3B, PHKG1, PKIA, PRKACA AKT inhibitor 3704 40.6 cp BRD-K90733503 cefalexin Bacterial cell wall synthesis inhibitor Bacterial cell wall synthesis inhibitor 3707 40.55 cp BRD-K94512704 spiramide Dopamine receptor antagonist DRD2, HTR1A, HTR2A, HTR2B, HTR2C Dopamine receptor antagonist, Serotonin receptor antagonist 3712 40.46 cp BRD-K54314721 zolmitriptan Serotonin receptor agonist HTR1B, HTR1D, HTR1A, HTR1F, HTR1E Serotonin receptor agonist 3715 40.43 cp BRD-A98431941 ephedrine Adrenergic receptor agonist ACHE, ADRA1A, ADRB2, SLC18A2, SLC6A2 Adrenergic receptor agonist 3720 40.37 cp BRD-K68095457 palmitoylethanolamide Cannabinoid receptor agonist CNR2, GPR119, GPR55 Cannabinoid receptor agonist 3725 40.34 cp BRD-K91315211 betahistine Histamine receptor agonist HRH3, HRH1 Histamine receptor agonist, Histamine receptor antagonist 3727 40.27 cp BRD-K37618799 MRS-1220 Adenosine receptor antagonist ADORA2B, ADORA3 Adenosine receptor antagonist 3729 40.24 cp BRD-K21733600 rofecoxib Cyclooxygenase inhibitor PTGS2, CYP3A4, ELN Cyclooxygenase inhibitor 3730 40.24 cp BRD-A78322124 dobutamine Adrenergic receptor agonist ADRB1, ADRB2, ADRA1A Adrenergic receptor agonist 3734 40.19 cp BRD-K93645900 tadalafil Phosphodiesterase inhibitor PDE5A, PDE11A Phosphodiesterase inhibitor 3735 40.19 cp BRD-K97752965 nicorandil Nitric oxide donor ABCC9, KCNJ11, KCNJ8 Nitric oxide donor, Potassium channel activator 3737 40.16 cp BRD-K25906698 immepip Histamine receptor agonist HRH3, HRH4 Histamine receptor agonist 3741 40.06 cp BRD-A91452556 estradiol-cypionate Estrogen receptor agonist ESR1 Estrogen receptor agonist 3742 40.05 cp BRD-A75478957 PD-166793 Metalloproteinase inhibitor MMP13, MMP2, MMP3 Metalloproteinase inhibitor, Collagenase inhibitor 3745 40.04 cp BRD-K63792901 arecaidine Acetylcholine receptor agonist CHRM1, CHRM2, CHRM3, CHRM4 Acetylcholine receptor agonist 3748 39.98 cp BRD-A52193669 withaferin-a IKK inhibitor ACHE, BCHE, IKBKB IKK inhibitor 3752 39.9 cp BRD-K66782112 BRD-K66782112 Histamine receptor antagonist HRH2 Histamine receptor antagonist 3753 39.88 cp BRD-K33572481 taurodeoxycholic-acid Bile acid Bile acid 3757 39.8 cp BRD-A21723284 naltriben Opioid receptor antagonist OPRD1, OPRK1, OPRM1 Opioid receptor antagonist 3759 39.77 cp BRD-K89402695 L-655240 Thromboxane receptor antagonist PTGES Thromboxane receptor antagonist 3761 39.7 cp BRD-K79124250 ioxaglic-acid Radiopaque medium Radiopaque medium 3765 39.57 cp BRD-K50859149 sulfafurazole Bacterial antifolate Bacterial antifolate 3767 39.56 cp BRD-K68407802 KIN001-055 EGFR inhibitor EGFR, JAK3 EGFR inhibitor, JAK inhibitor, Leukotriene inhibitor, Mediator release inhibitor 3768 39.55 cp BRD-K51918615 iodophenpropit Histamine receptor antagonist HRH3, HRH4, GRIN2B Histamine receptor antagonist 3775 39.39 cp BRD-A78942461 ICI-118551 Adrenergic receptor antagonist Adrenergic receptor antagonist 3783 39.26 cp BRD-K05901394 terguride Dopamine receptor agonist DRD2, HTR2A, HTR2B, ADRA1A, ADRA2A, ADRA2B, ADRA2C, DRD3, DRD4, HTR1A, HTR1B, HTR1D, HTR2C, PRL Dopamine receptor agonist, Serotonin receptor antagonist 3787 39.17 cp BRD-A06784547 MRS-1334 Adenosine receptor antagonist Adenosine receptor antagonist 3794 39.08 cp BRD-A39290993 cyproterone Androgen receptor antagonist AR, ADORA1, ESR1 Androgen receptor antagonist, Progesterone receptor agonist, Testosterone receptor antagonist 3797 39.03 cp BRD-K53220666 trimetozine Sedative Sedative 3803 38.9 cp BRD-K47943470 tyrphostin-51 EGFR inhibitor EGFR inhibitor 3808 38.85 cp BRD-K73838513 cinacalcet Calcium channel activator CASR Calcium channel activator 3814 38.8 cp BRD-K23566484 nilutamide Androgen receptor antagonist AR, CYP2C19 Androgen receptor antagonist 3816 38.78 cp BRD-A41833852 naloxone Opioid receptor antagonist OPRM1, OPRK1, OPRD1, CREB1, ESR1, TLR4 Opioid receptor antagonist 3823 38.64 cp BRD-K19309090 SR-95639A Acetylcholine receptor agonist CHRM1 Acetylcholine receptor agonist 3826 38.58 cp BRD-K73397362 purmorphamine Smoothened receptor agonist SMO, DHH, IHH, PTCH1 Smoothened receptor agonist 3840 38.42 cp BRD-K39944607 ochratoxin-a Phenylalanyl tRNA synthetase inhibitor SLC22A6 Phenylalanyl tRNA synthetase inhibitor 3841 38.42 cp BRD-A94793051 gestrinone Progesterone receptor antagonist PGR, AR, ESR1 Progesterone receptor antagonist 3852 38.11 cp BRD-K61192372 capecitabine DNA synthesis inhibitor TYMS, DPYD DNA synthesis inhibitor, Thymidylate synthase inhibitor 3853 38.1 cp BRD-K23192422 lestaurtinib FLT3 inhibitor FLT3, NTRK1, JAK2, NTRK2, NTRK3 FLT3 inhibitor, Growth factor receptor inhibitor, JAK inhibitor 3854 38.1 cp BRD-K54233340 dorsomorphin AMPK inhibitor ACVR1, BMPR1A, BMPR1B, EPHA2, FKBP1A, FLT1, FLT3, KDR, LCK, MKNK1, PRKAA1, RPS6KA1, SRC AMPK inhibitor 3861 38 cp BRD-K44779798 miglitol Glucosidase inhibitor GAA, MGAM, GANAB, GANC, SLC5A4 Glucosidase inhibitor 3862 37.98 cp BRD-K88849294 lobaric-acid Tyrosine phosphatase inhibitor PTPN1 Tyrosine phosphatase inhibitor 3863 37.94 cp BRD-K34533029 tyrphostin-AG-494 EGFR inhibitor EGFR EGFR inhibitor 3865 37.91 cp BRD-A77118605 BML-ST330 Phospholipase inhibitor Phospholipase inhibitor 3866 37.88 cp BRD-K98157055 SIB-1757 Glutamate receptor antagonist GRM5 Glutamate receptor antagonist 3873 37.78 cp BRD-K02715688 hydrastine Tyrosine hydroxylase inhibitor Tyrosine hydroxylase inhibitor 3877 37.73 cp BRD-K77695569 tiabendazole Angiogenesis inhibitor Angiogenesis inhibitor 3879 37.72 cp BRD-K55044200 amoxicillin Penicillin binding protein inhibitor SLC15A1 Penicillin binding protein inhibitor 3889 37.52 cp BRD-K45033733 famciclovir DNA polymerase inhibitor DNA polymerase inhibitor 3897 37.37 cp BRD-K60184833 tyrphostin-46 Tyrosine kinase inhibitor EGFR Tyrosine kinase inhibitor 3898 37.36 cp BRD-K78485176 olmesartan Angiotensin receptor antagonist AGTR1 Angiotensin receptor antagonist 3901 37.29 cp BRD-K10065684 dantron Laxative Laxative 3902 37.28 cp BRD-K11636097 JNJ-7706621 CDK inhibitor CDK1, CDK2, AURKA, AURKB CDK inhibitor 3906 37.21 cp BRD-K09436313 prostaglandin Prostanoid receptor antagonist AKR1C3, PTGDR, PTGDR2, PTGER1, PTGER2, PTGER4, PTGFR Prostanoid receptor antagonist 3911 37.14 cp BRD-K96778649 tyrphostin-47 EGFR inhibitor EGFR EGFR inhibitor 3914 37.08 cp BRD-K80778372 RO-19-4605 GABA benzodiazepine site receptor inverse agonist GABRA1, GABRA2, GABRA3, GABRA5 GABA benzodiazepine site receptor inverse agonist 3915 37.07 cp BRD-K88868628 iodoacetic-acid Cysteine peptidase inhibitor Cysteine peptidase inhibitor 3918 37.03 cp BRD-K46317332 proadifen Nitric oxide synthase inhibitor NOS1 Nitric oxide synthase inhibitor 3920 36.97 cp BRD-K64402243 ivachtin Caspase inhibitor CASP3 Caspase inhibitor 3923 36.91 cp BRD-K75641298 metoclopramide Dopamine receptor antagonist DRD2, HTR3A, HTR4, CHRM1, HTR3B Dopamine receptor antagonist, Serotonin receptor antagonist 3926 36.87 cp BRD-K45479396 BP-554 Serotonin receptor agonist HTR1A Serotonin receptor agonist 3929 36.86 cp BRD-K27184429 levocetirizine Histamine receptor antagonist HRH1, CXCL8 Histamine receptor antagonist 3930 36.86 cp BRD-K13642330 cosmosiin Cytochrome P450 inhibitor Cytochrome P450 inhibitor 3933 36.82 cp BRD-K79092138 nitrofural Bacterial DNA inhibitor Bacterial DNA inhibitor 3936 36.79 cp BRD-K10467831 tibolone Androgen receptor agonist AR, ESR1, PGR, STS Androgen receptor agonist, Estrogen receptor agonist, Progesterone receptor agonist 3939 36.72 cp BRD-A97104540 fenoterol Adrenergic receptor agonist ADRB2, ADRB1, ADRB3 Adrenergic receptor agonist 3950 36.49 cp BRD-K15842202 eudesmic-acid -666 -666 3953 36.45 cp BRD-K44084986 Y-27632 Rho associated kinase inhibitor ROCK1, ROCK2, LRRK2, PKIA, PKN2, PRKACA, PRKCE Rho associated kinase inhibitor 3957 36.38 cp BRD-K33312228 halometasone Glucocorticoid receptor agonist NR3C1 Glucocorticoid receptor agonist 3968 36.28 cp BRD-K75958195 pizotifen Serotonin receptor antagonist HTR2A, HTR1A, HTR2C Serotonin receptor antagonist 3971 36.21 cp BRD-K10961822 latanoprost Prostanoid receptor agonist PTGFR Prostanoid receptor agonist 3972 36.2 cp BRD-K29733039 deforolimus MTOR inhibitor MTOR MTOR inhibitor 3973 36.19 cp BRD-K52394958 GR-159897 Tachykinin antagonist TACR2, TAC1 Tachykinin antagonist 3974 36.17 cp BRD-K11717138 benzbromarone Chloride channel blocker ABCC1, SLC22A12 Chloride channel blocker 3978 36.1 cp BRD-K17378184 prestwick-559 Dopamine receptor agonist DRD3, ADRA1A, ADRA1D, ADRA2A, DRD1, DRD2, DRD4, HTR1A, HTR2B Dopamine receptor agonist 3990 35.95 cp BRD-A68039575 liquiritigenin Aromatase inhibitor CYP19A1 Aromatase inhibitor 3996 35.8 cp BRD-A93477898 PETCM Caspase activator CASP3 Caspase activator 3997 35.78 cp BRD-K25905511 buddleoflavonoloside Acetylcholinesterase inhibitor Acetylcholinesterase inhibitor 3999 35.76 cp BRD-A87125127 3-matida Glutamate receptor antagonist GRM1 Glutamate receptor antagonist 4000 35.74 cp BRD-A41995253 brucine Glycine receptor antagonist CHRM1, CHRM2, CHRM3, CHRM4, CHRM5 Glycine receptor antagonist 4004 35.66 cp BRD-K62858456 lomerizine Calcium channel blocker ABCB1, CACNA1B, SCN5A Calcium channel blocker 4006 35.64 cp BRD-A55913614 primaquine Antimalarial KRT7, NQO2 Antimalarial, DNA inhibitor 4008 35.62 cp BRD-A98378129 talniflumate Cyclooxygenase inhibitor CLCA1 Cyclooxygenase inhibitor 4024 35.39 cp BRD-A04668240 CGP-52432 GABA receptor antagonist GABBR1, GABBR2 GABA receptor antagonist 4025 35.38 cp BRD-K38323065 phenacetin Cyclooxygenase inhibitor PTGS1 Cyclooxygenase inhibitor 4027 35.37 cp BRD-K35498378 alrestatin Aldose reductase inhibitor AKR1B1 Aldose reductase inhibitor 4032 35.29 cp BRD-A18043272 phensuximide Succinimide antiepileptic Succinimide antiepileptic 4033 35.25 cp BRD-A27489425 rolitetracycline Bacterial 30S ribosomal subunit inhibitor Bacterial 30S ribosomal subunit inhibitor 4035 35.19 cp BRD-K23383398 T-0901317 LXR agonist NR1H3, NR1H2, ABCA1, NCOA1, NCOA2, NR1I2, RORA, RORC, RXRB LXR agonist, ABC transporter expression enhancer, ROR inverse agonist 4048 34.88 cp BRD-K55591206 epigallocatechin Nitric oxide synthase inhibitor FASN, APP, BACE1, CYP19A1, DYRK1A, ELANE, ENOX2, EP300, IDO1, KAT2B, KDR, MMP14, MMP2, PPARA, PREP, SLC5A1 Nitric oxide synthase inhibitor, Bacterial DNA gyrase inhibitor 4049 34.87 cp BRD-U66370498 androstanol CAR antagonist NR1I3 CAR antagonist 4060 34.54 cp BRD-A65597028 RX-821002 Adrenergic receptor antagonist ADRA2A, ADRA2B, ADRA2C, ADRA1A, ADRA1B, ADRA1D Adrenergic receptor antagonist 4062 34.53 cp BRD-K11540476 EMF-BCA1-64 Caspase inhibitor CASP3 Caspase inhibitor 4065 34.51 cp BRD-A44008656 doxylamine Histamine receptor antagonist HRH1, CHRM1 Histamine receptor antagonist 4066 34.49 cp BRD-A30815329 felodipine Calcium channel blocker CACNA1C, CACNA1D, CACNA1H, CACNA1S, CACNA2D1, CACNA2D2, CACNB2, CALM1, CFTR, NR3C2, PDE1A, PDE1B, TNNC1, TNNC2 Calcium channel blocker 4084 34.21 cp BRD-A49370193 RO-60-0175 Serotonin receptor agonist HTR2C, HTR2A, HTR2B Serotonin receptor agonist 4085 34.19 cp BRD-K15519488 CS-110266 Dopamine receptor agonist SLC6A3 Dopamine receptor agonist 4092 34.03 cp BRD-A01320529 salmeterol Adrenergic receptor agonist ADRB2 Adrenergic receptor agonist 4099 33.76 cp BRD-K16444452 ibudilast Leukotriene receptor antagonist PDE4A, PDE4B, PDE4C, MIF, PDE10A, PDE3A, PDE4D, TLR4, CYSLTR1, IL1B, IL6, PDE11A, PDE5A Leukotriene receptor antagonist, Phosphodiesterase inhibitor 4105 33.63 cp BRD-A69917777 aminopentamide Acetylcholine receptor antagonist Acetylcholine receptor antagonist 4114 33.48 cp BRD-K86434416 selegiline Monoamine oxidase inhibitor MAOB, MAOA, CYP2B6, CYP2C19 Monoamine oxidase inhibitor 4115 33.42 cp BRD-K81272440 dantrolene Calcium channel blocker RYR1, RYR3 Calcium channel blocker 4119 33.31 cp BRD-K18316707 O-1918 Cannabinoid receptor antagonist Cannabinoid receptor antagonist 4123 33.23 cp BRD-K50387473 XMD-892 MAP kinase inhibitor MAPK7, DCLK2, LRRK2, PLK4, TNK1 MAP kinase inhibitor 4126 33.11 cp BRD-K96037667 norethindrone Progesterone receptor agonist PGR Progesterone receptor agonist, Progestogen hormone 4129 33.04 cp BRD-K39111395 BCL2-inhibitor BCL inhibitor BCL2 BCL inhibitor 4132 32.99 cp BRD-K22096725 ALW-II-49-7 Ephrin inhibitor DDR1, EPHA2, EPHA4, EPHA7, EPHB2, EPHB4, EPHB6 Ephrin inhibitor 4143 32.82 cp BRD-A36074203 remacemide Glutamate receptor antagonist GRIN1 Glutamate receptor antagonist 4149 32.69 cp BRD-K14767410 SC-560 Cyclooxygenase inhibitor PTGS1 Cyclooxygenase inhibitor 4150 32.68 cp BRD-K89152108 liothyronine Thyroid hormone stimulant THRA, THRB Thyroid hormone stimulant 4152 32.65 cp BRD-K09397065 SR-57227A Serotonin receptor agonist HTR3A Serotonin receptor agonist 4162 32.41 cp BRD-K93176058 AC-55649 Retinoid receptor agonist RARB, RARA Retinoid receptor agonist 4174 32.23 cp BRD-K29530284 amlexanox Histamine receptor modulator FGF1, IL3, S100A12, S100A13 Histamine receptor modulator 4179 32.11 cp BRD-K04877770 FTase-inhibitor-B581 Farnesyltransferase inhibitor Farnesyltransferase inhibitor 4186 32.09 cp BRD-A35623999 CGP-37157 L-type calcium channel blocker SLC8A1 L-type calcium channel blocker, Mitochondrial Na+/CY- exchanger antagonist, Sodium/calcium exchange inhibitor 4194 31.94 cp BRD-A67981824 cefotaxime Bacterial cell wall synthesis inhibitor Bacterial cell wall synthesis inhibitor 4199 31.88 cp BRD-K26160755 RS-45041-190 Imidazoline receptor agonist Imidazoline receptor agonist 4200 31.77 cp BRD-K04146668 GW-441756 Growth factor receptor inhibitor LRRK2, NTRK1 Growth factor receptor inhibitor 4201 31.75 cp BRD-K45861246 azaperone Dopamine receptor antagonist DRD2, DRD3 Dopamine receptor antagonist 4204 31.71 cp BRD-K05977823 tenovins SIRT inhibitor SIRT1, SIRT2 SIRT inhibitor, TP53 activator 4212 31.62 cp BRD-K73978287 hydrocortisone Glucocorticoid receptor agonist ANXA1, NOS2, NR3C1, NR3C2 Glucocorticoid receptor agonist, Immunosuppressant, Corticosteroid agonist 4219 31.48 cp BRD-K44353683 nateglinide Insulin secretagogue ABCC8, KCNJ11, CYP3A4, INS, KCNJ10, PPARG Insulin secretagogue 4220 31.48 cp BRD-K72895815 SSR-69071 Leukocyte elastase inhibitor ELANE Leukocyte elastase inhibitor 4222 31.48 cp BRD-A37776212 ICI-204448 Opioid receptor agonist OPRK1 Opioid receptor agonist 4223 31.45 cp BRD-K05434375 HA-1004 Calcium channel blocker Calcium channel blocker 4226 31.41 cp BRD-K45446451 JZL-184 Monoacylglucerol lipase inhibitor MGLL Monoacylglucerol lipase inhibitor 4227 31.39 cp BRD-K44876623 zolpidem Benzodiazepine receptor agonist GABRA1, GABRA2, GABRA3 Benzodiazepine receptor agonist 4233 31.25 cp BRD-A96107863 nisoldipine Calcium channel blocker CACNA1C, CACNA1D, CACNA1S, CACNA2D1, CACNB2, CYP3A5 Calcium channel blocker 4235 31.23 cp BRD-K55034111 pefloxacin Bacterial DNA gyrase inhibitor TOP2A Bacterial DNA gyrase inhibitor 4236 31.23 cp BRD-K06014311 DH-97 Melatonin receptor antagonist MTNR1B Melatonin receptor antagonist 4237 31.21 cp BRD-K04046242 equilin Estrogen receptor agonist HSD17B1 Estrogen receptor agonist 4240 31.2 cp BRD-K47207162 zimelidine Serotonin reuptake inhibitor SLC6A4, MAOA, MAOB Serotonin reuptake inhibitor 4245 31.11 cp BRD-K68191783 ALW-II-38-3 Ephrin inhibitor DDR1, EPHA2, EPHA4, EPHB2, EPHB4, EPHB6 Ephrin inhibitor 4248 31.09 cp BRD-K28307902 flutamide Androgen receptor antagonist AR, AHR, CYP2C19 Androgen receptor antagonist 4252 31.01 cp BRD-K24526313 levcromakalim Potassium channel activator KCNJ8, ABCC9, KCNJ5 Potassium channel activator 4255 30.99 cp BRD-K17008822 BD-1008 Sigma receptor antagonist Sigma receptor antagonist 4266 30.64 cp BRD-K95402279 geranylgeraniol Farnesyltransferase inhibitor Farnesyltransferase inhibitor 4269 30.57 cp BRD-K08703257 3-amino-benzamide PARP inhibitor PARP1 PARP inhibitor 4271 30.54 cp BRD-A67438293 treprostinil Prostacyclin analog PTGIR, CYP2C8, P2RY12, PPARD, PTGDR, PTGER1, PTGER2, PTGER3, PTGER4 Prostacyclin analog 4277 30.46 cp BRD-K40530731 hyoscyamine Acetylcholine receptor antagonist CHRM1, CHRM2, CHRM3, CHRM4 Acetylcholine receptor antagonist 4282 30.42 cp BRD-K64755930 etazolate Phosphodiesterase inhibitor GABRB3, PDE4A Phosphodiesterase inhibitor 4285 30.4 cp BRD-K89732114 trifluoperazine Dopamine receptor antagonist DRD2, ABCG2, ADRA1A, CALM1, CALY, CAMK2A, DRD4, HRH1, HTR2A, HTR2C, S100A4, SCN4A, SCN9A, TNNC1 Dopamine receptor antagonist 4295 30.26 cp BRD-K18036262 L-168049 Glucagon receptor antagonist GCGR Glucagon receptor antagonist 4301 30.17 cp BRD-A95939040 sertaconazole Sterol demethylase inhibitor Sterol demethylase inhibitor 4309 30.09 cp BRD-K17705806 JTC-801 Opioid receptor antagonist OPRL1 Opioid receptor antagonist 4322 29.85 cp BRD-K89375097 pirenzepine Acetylcholine receptor antagonist CHRM1, CHRM2, CHRM3, CHRM4, CHRM5 Acetylcholine receptor antagonist 4326 29.78 cp BRD-K06854232 AM-580 Retinoid receptor agonist RARA Retinoid receptor agonist 4333 29.7 cp BRD-A14395271 mesoridazine Dopamine receptor antagonist DRD2, HTR2A Dopamine receptor antagonist 4345 29.44 cp BRD-K07762753 aminopurvalanol-a Tyrosine kinase inhibitor CDK1, CDK2, CDK5, CDK6 Tyrosine kinase inhibitor, CDK inhibitor 4346 29.39 cp BRD-K18779551 bifemelane Acetylcholine release stimulant SLC6A2 Acetylcholine release stimulant, Adrenergic transmitter uptake inhibitor, Reducing agent 4352 29.29 cp BRD-K51677086 erythromycin NFkB pathway inhibitor CYP3A4, MLNR NFkB pathway inhibitor 4355 29.21 cp BRD-K40656405 L-165041 PPAR receptor agonist PPARD PPAR receptor agonist 4360 29.14 cp BRD-A35511923 L-803087 Somatostatin receptor agonist SSTR4 Somatostatin receptor agonist 4364 29.09 cp BRD-K87990216 piretanide Glucocorticoid receptor agonist SLC12A1, SLC12A2 Glucocorticoid receptor agonist 4365 29.08 cp BRD-K90864987 cobalt(II)-chloride HSP inducer HIF1A HSP inducer 4375 28.86 cp BRD-K71266197 PSB-06126 NTPDase inhibitor ENTPD3 NTPDase inhibitor 4378 28.82 cp BRD-K62959606 sphingosine Ceramidase inhibitor GLTP, PVR, TRPM3 Ceramidase inhibitor 4382 28.75 cp BRD-K13261168 LY-16350 Dopamine receptor agonist DRD2, DRD3 Dopamine receptor agonist 4383 28.75 cp BRD-A25576662 streptozotocin DNA alkylating agent SLC2A2 DNA alkylating agent 4389 28.61 cp BRD-A29426959 carbinoxamine Histamine receptor antagonist HRH1 Histamine receptor antagonist, L-type calcium channel blocker 4390 28.6 cp BRD-A65615053 zacopride Serotonin receptor antagonist HTR3A, HTR4, HTR3B, HTR5A Serotonin receptor antagonist 4391 28.6 cp BRD-K51662849 ilomastat Matrix metalloprotease inhibitor ACAN, ADAM28, MMP1, MMP12, MMP13, MMP14, MMP2, MMP3, MMP8, MMP9 Matrix metalloprotease inhibitor 4393 28.59 cp BRD-A01145011 zebularine DNA methyltransferase inhibitor CDA, DNMT1 DNA methyltransferase inhibitor 4394 28.57 cp BRD-K79602928 metformin Insulin sensitizer ACACB, INS, PRKAB1 Insulin sensitizer 4410 28.31 cp BRD-A06726973 dibutyrylcyclic-gmp cGMP analog cGMP analog 4412 28.24 cp BRD-A73741725 exemestane Aromatase inhibitor CYP19A1 Aromatase inhibitor 4413 28.12 cp BRD-A51182606 chloramphenicol Protein synthesis inhibitor CD55, CYP2C19 Protein synthesis inhibitor, Bacterial 50S ribosomal subunit inhibitor 4415 28.08 cp BRD-K54416256 methimazole Antithyroid TPO Antithyroid 4421 28.01 cp BRD-K59597909 phenothiazine Dopamine receptor antagonist Dopamine receptor antagonist 4424 27.98 cp BRD-K47717570 NBQX Glutamate receptor antagonist GRIA1, GRIA2, GRIA3, GRIA4, GRIK1, GRIN1, GRIN2A, GRIN2B Glutamate receptor antagonist 4429 27.93 cp BRD-K33860217 CP-94253 Serotonin receptor agonist HTR1B Serotonin receptor agonist 4435 27.78 cp BRD-A66199457 asiaticoside Antineoplastic Antineoplastic 4441 27.71 cp BRD-K31633810 DAU-5884 Acetylcholine receptor antagonist CHRM1, CHRM3 Acetylcholine receptor antagonist 4459 27.44 cp BRD-K98426715 tubacin HDAC inhibitor HDAC6 HDAC inhibitor 4464 27.4 cp BRD-K89274813 DMP-543 Acetylcholine release stimulant Acetylcholine release stimulant 4466 27.39 cp BRD-K64245000 GW-4064 FXR agonist NR1H4 FXR agonist 4470 27.33 cp BRD-K45988865 tetramethylsilane Internal standard for NMR spectroscopy Internal standard for NMR spectroscopy 4471 27.33 cp BRD-K00662280 CL-218872 GABA receptor agonist GABRA1, GABRA2, GABRA3, GABRA5, GABRB2, GABRG2 GABA receptor agonist 4482 27.13 cp BRD-A01593789 chlormadinone 5-alpha reductase inhibitor PGR 5-alpha reductase inhibitor, Progesterone receptor agonist 4484 27.11 cp BRD-K51941867 LM-1685 Cyclooxygenase inhibitor PTGS2 Cyclooxygenase inhibitor 4485 27.08 cp BRD-K79145749 dibenzepin Norepinephrine reuptake inhibitor Norepinephrine reuptake inhibitor 4487 27.04 cp BRD-A73368467 fexofenadine Histamine receptor antagonist HRH1 Histamine receptor antagonist 4493 26.9 cp BRD-K65639003 icariin Phosphodiesterase inhibitor NMUR2, PDE5A, SORD Phosphodiesterase inhibitor 4497 26.8 cp BRD-A43940795 tetrahydropalmatine Serotonin release inhibitor Serotonin release inhibitor 4507 26.67 cp BRD-A45889380 mepacrine Cytokine production inhibitor TP53, AKT1, MTOR, NFKB1, PLA2G1B, PLA2G2A, PLA2G2D, PLA2G4A, PLA2G6, PLCL1 Cytokine production inhibitor, NFkB pathway inhibitor, TP53 activator 4510 26.57 cp BRD-K63979671 etifenin Compound used in hepatobiliary scans of the liver Compound used in hepatobiliary scans of the liver 4515 26.45 cp BRD-K01779529 fluoropyruvate Pyruvate dehydrogenase kinase inhibitor Pyruvate dehydrogenase kinase inhibitor 4517 26.38 cp BRD-K32318651 acyclovir DNA polymerase inhibitor PNP DNA polymerase inhibitor 4519 26.32 cp BRD-A88282067 delcorine Antiarrhythmic Antiarrhythmic, Ganglionic blocker 4524 26.19 cp BRD-K81521265 dicyclohexylurea Epoxide hydolase inhibitor EPHX2 Epoxide hydolase inhibitor 4531 26.1 cp BRD-K51671335 sulpiride Dopamine receptor antagonist DRD2, CA7, DRD3, CA1, CA12 Dopamine receptor antagonist 4533 26.02 cp BRD-K10136726 tosyllysyl-chloromethyl-ketone Chymotrypsin inhibitor Chymotrypsin inhibitor 4537 25.99 cp BRD-K26863634 BIX-01338 Histone lysine methyltransferase inhibitor Histone lysine methyltransferase inhibitor 4539 25.92 cp BRD-K64857848 XMD-885 Leucine rich repeat kinase inhibitor LRRK2, MAPK7 Leucine rich repeat kinase inhibitor, MAP kinase inhibitor 4547 25.87 cp BRD-K28428262 brivanib FGFR inhibitor FGFR1, KDR, FLT1, CYP3A4, FGFR2, FGFR3, FLT4, KCNH2 FGFR inhibitor, VEGFR inhibitor 4554 25.77 cp BRD-K53523901 arctigenin MEK inhibitor ADIPOR1, AHR, CHUK, MAP2K1 MEK inhibitor 4555 25.75 cp BRD-K54759182 dosulepin Norepinephrine reuptake inhibitor SLC6A2, SLC6A4, CHRM1, CHRM2, CHRM3, CHRM4, CHRM5, CYP2C19, HRH1 Norepinephrine reuptake inhibitor, Tricyclic antidepressant, Serotonin reuptake inhibitor 4559 25.65 cp BRD-A64977602 mirtazapine Adrenergic receptor antagonist ADRA2A, HTR2A, HTR2C, ADRA2C, HTR3A, ADRA1A, ADRA1B, ADRA1D, ADRA2B, ADRB1, ADRB2, DRD1, DRD2, DRD3, DRD5, HRH1, HRH3, HTR2B, HTR7, OPRK1, SLC6A2, SLC6A3, SLC6A4 Adrenergic receptor antagonist, Serotonin receptor antagonist 4563 25.57 cp BRD-K12516989 zaprinast Phosphodiesterase inhibitor PDE5A, GPR35, PDE1A, PDE4D, PDE9A Phosphodiesterase inhibitor 4566 25.51 cp BRD-K43068349 AMG-9810 TRPV antagonist TRPV1 TRPV antagonist 4569 25.47 cp BRD-K01095011 finasteride 5-alpha reductase inhibitor SRD5A2, SRD5A1, AKR1D1, AR 5-alpha reductase inhibitor 4571 25.41 cp BRD-A75517195 thiazolopyrimidine CDC inhibitor CDC inhibitor 4573 25.39 cp BRD-A01643550 prednisolone Glucocorticoid receptor agonist NR3C1, NR3C2, SERPINA6 Glucocorticoid receptor agonist 4576 25.33 cp BRD-K90027355 spironolactone Mineralocorticoid receptor antagonist NR3C2, AR, CACNA1A, CACNA1B, CACNA1C, CACNA1D, CACNA1F, CACNA1G, CACNA1H, CACNA1I, CACNA1S, CACNA2D1, CACNA2D2, CACNA2D3, CACNB1, CACNB2, CACNB3, CACNB4, CACNG1, CYP11B2, KCNA5, KCND3, NR3C1, PGR, SCNN1A, SHBG Mineralocorticoid receptor antagonist 4581 25.22 cp BRD-K04010869 prostaglandin-a1 HSP inducer HSP inducer, NFkB pathway inhibitor 4585 25.16 cp BRD-K45296539 ZD-7114 Adrenergic receptor agonist ADRB3 Adrenergic receptor agonist 4588 25.11 cp BRD-K37289225 clozapine Dopamine receptor antagonist DRD2, DRD4, ADRA1A, ADRA1B, CHRM1, DRD1, DRD3, HRH1, HRH4, HTR1A, HTR1B, HTR1D, HTR1E, HTR2A, HTR2C, HTR6, HTR7, ADRA1D, ADRA2A, ADRA2B, ADRA2C, CALY, CHRM2, CHRM3, CHRM4, CHRM5, CYP2C19, DRD5, HTR1F, HTR2B, HTR3A, HTR5A Dopamine receptor antagonist, Serotonin receptor antagonist 4593 24.99 cp BRD-A19248578 latrunculin-b Actin polymerization inhibitor ACTA1, MKL1, SPIRE2 Actin polymerization inhibitor, Unidentified pharmacological activity 4596 24.88 cp BRD-A43974499 reboxetine Adrenergic receptor antagonist SLC6A2 Adrenergic receptor antagonist 4601 24.83 cp BRD-K71860425 CDK2-5-inhibitor CDK inhibitor CDK2, CDK5 CDK inhibitor 4603 24.82 cp BRD-K70487031 flupentixol Dopamine receptor antagonist DRD2, DRD1, ADRA1A, CHRM1, DRD3, DRD5, HTR2A Dopamine receptor antagonist 4608 24.74 cp BRD-K54472332 elvitegravir HIV integrase inhibitor HIV integrase inhibitor 4609 24.73 cp BRD-K36965586 m-chlorophenylbiguanide Serotonin receptor agonist HTR3A, HTR3B Serotonin receptor agonist 4611 24.72 cp BRD-K18905250 ST-91 Adrenergic receptor agonist Adrenergic receptor agonist 4613 24.68 cp BRD-K07325606 hispidin PKC inhibitor PREP, PRKCB, PTGS2, XDH PKC inhibitor 4614 24.67 cp BRD-K81876028 CP-93129 Serotonin receptor agonist HTR1A, HTR1B Serotonin receptor agonist 4619 24.6 cp BRD-A06390036 hydroquinidine Antiarrhythmic Antiarrhythmic 4623 24.55 cp BRD-K18618618 cimetidine Histamine receptor antagonist HRH2, SLC29A4, SLC47A1, SLC47A2 Histamine receptor antagonist 4629 24.47 cp BRD-A10977446 carvedilol Adrenergic receptor antagonist ADRB1, ADRB2, ADRA1A, ADRA1B, ADRA1D, ADRA2A, ADRA2B, ADRA2C, ADRB3, CYP2C19, CYP2E1, GJA1, HIF1A, KCNH2, NDUFC2, NPPB, RYR2, SELE, VCAM1, VEGFA Adrenergic receptor antagonist 4642 24.22 cp BRD-K01648091 LE-300 Dopamine receptor antagonist DRD5, DRD1, HTR2A Dopamine receptor antagonist 4646 24.14 cp BRD-A24381660 zeranol Estrogen receptor agonist Estrogen receptor agonist 4647 24.13 cp BRD-K40213712 SAL-1 Adenosine receptor antagonist ADORA2B, ADORA2A Adenosine receptor antagonist 4654 24.07 cp BRD-A17655518 ibuprofen Cyclooxygenase inhibitor PTGS2, PTGS1, ASIC1, BCL2, CFTR, CYP2C8, FABP2, PLAT, PPARG, SLC5A8, THBD Cyclooxygenase inhibitor, NFkB pathway inhibitor 4655 24.04 cp BRD-A92585442 RU-28318 Cytochrome P450 inhibitor NR3C2 Cytochrome P450 inhibitor 4656 24.02 cp BRD-K62929068 6-benzylaminopurine Purinergic receptor activator Purinergic receptor activator 4662 23.94 cp BRD-K60038276 irbesartan Angiotensin receptor antagonist AGTR1, JUN, SLC10A1 Angiotensin receptor antagonist 4667 23.8 cp BRD-K32906660 bis-tyrphostin EGFR inhibitor DNM1, EGFR EGFR inhibitor 4670 23.76 cp BRD-K49668410 clarithromycin Bacterial 50S ribosomal subunit inhibitor CYP2C19, CYP3A4, CYP3A5, CYP3A7 Bacterial 50S ribosomal subunit inhibitor 4671 23.71 cp BRD-K51805276 temefos Cholinesterase inhibitor Cholinesterase inhibitor 4677 23.5 cp BRD-K27450477 EHNA Adenosine deaminase inhibitor ADA, PDE2A, ADORA2A Adenosine deaminase inhibitor 4679 23.47 cp BRD-K96319534 phentermine Dopamine uptake inhibitor MAOA, MAOB, SLC6A2, SLC6A3, SLC6A4 Dopamine uptake inhibitor, Serotonin reuptake inhibitor 4682 23.46 cp BRD-K79684402 RO-10-5824 Dopamine receptor agonist DRD4 Dopamine receptor agonist 4685 23.44 cp BRD-K69600043 thiethylperazine Dopamine receptor antagonist DRD1, DRD2, DRD4 Dopamine receptor antagonist 4687 23.44 cp BRD-A37837077 cyclazosin Adrenergic receptor antagonist ADRA1B, ADRA1A, ADRA1D Adrenergic receptor antagonist 4695 23.29 cp BRD-A41451487 PK-11195 Benzodiazepine receptor antagonist TSPO, NR1I2, NR1I3 Benzodiazepine receptor antagonist 4699 23.22 cp BRD-K72029282 probucol Atherogenesis inhibitor ABCA1, ABCB11, CES1 Atherogenesis inhibitor 4700 23.22 cp BRD-K96799727 pifithrin-mu HSP inhibitor HSPA1A, TP53 HSP inhibitor 4712 23.05 cp BRD-A68929948 DAPT-GSI-IX Gamma secretase inhibitor Gamma secretase inhibitor 4714 23.01 cp BRD-K90976994 dehydrocholic-acid Bile acid Bile acid 4715 23 cp BRD-K28346421 rifapentine RNA polymerase inhibitor CYP2C8, CYP3A4 RNA polymerase inhibitor 4718 22.95 cp BRD-A01317026 7,8-dihydro-L-biopterin Dihydroneopterin aldolase inhibitor NOS2, TPH1 Dihydroneopterin aldolase inhibitor 4721 22.94 cp BRD-K35128472 2-aminopurine Serine/threonine kinase inhibitor Serine/threonine kinase inhibitor 4731 22.86 cp BRD-K98530306 clonidine Adrenergic receptor agonist ADRA2A, ADRA2B, ADRA2C, ADRA1A, ADRA1B, ADRA1D Adrenergic receptor agonist 4732 22.85 cp BRD-K95435023 PHA-665752 c-Met inhibitor MET c-Met inhibitor 4733 22.83 cp BRD-K20338176 cefaclor Bacterial cell wall synthesis inhibitor Bacterial cell wall synthesis inhibitor 4737 22.76 cp BRD-A24122750 saclofen GABA receptor antagonist GABBR1, GABBR2, KCTD12, KCTD16, KCTD8 GABA receptor antagonist 4738 22.76 cp BRD-A54596827 solifenacin Acetylcholine receptor antagonist CHRM3, CHRM1, CHRM2, CHRM4, CHRM5 Acetylcholine receptor antagonist 4740 22.74 cp BRD-K21548250 moracizine Sodium channel blocker SCN5A Sodium channel blocker 4742 22.71 cp BRD-K29555132 arachidonamide Cannabinoid receptor agonist CNR1, CNR2 Cannabinoid receptor agonist 4750 22.58 cp BRD-K40919711 BAPTA-AM Potassium channel blocker KCNA3, KCNA5, KCNH2 Potassium channel blocker 4752 22.56 cp BRD-A18202423 CPCCOEt Glutamate receptor antagonist GRM1 Glutamate receptor antagonist 4754 22.55 cp BRD-K36737713 AG-957 Protein tyrosine kinase inhibitor ABL1, EGFR Protein tyrosine kinase inhibitor 4759 22.5 cp BRD-K56957086 dacinostat HDAC inhibitor HDAC1, HDAC2, HDAC3, HDAC4, HDAC5, HDAC6, HDAC7, HDAC8, HDAC9 HDAC inhibitor 4770 22.39 cp BRD-A41304429 practolol Adrenergic receptor antagonist ADRB1 Adrenergic receptor antagonist 4772 22.36 cp BRD-K59650319 YM-298198 Glutamate receptor antagonist GRM1 Glutamate receptor antagonist 4773 22.34 cp BRD-K49519092 immethridine Histamine receptor agonist HRH3 Histamine receptor agonist 4776 22.25 cp BRD-K17415526 tyrphostin-AG-835 Protein tyrosine kinase inhibitor EGFR Protein tyrosine kinase inhibitor 4779 22.19 cp BRD-K27710560 splitomycin SIRT inhibitor SIRT1, SIRT2 SIRT inhibitor 4785 22.15 cp BRD-K85119730 tolbutamide ATP channel blocker ABCC8, CYP2B6, CYP2C19, CYP2C8, KCNJ1, KCNJ11, KCNJ8 ATP channel blocker 4790 22.08 cp BRD-K60640630 mometasone Glucocorticoid receptor agonist NR3C1 Glucocorticoid receptor agonist, Immunosuppressant 4800 21.9 cp BRD-K04170657 psoromic-acid Ras GTPase inhibitor Ras GTPase inhibitor 4802 21.86 cp BRD-A15131297 benazepril ACE inhibitor ACE ACE inhibitor 4804 21.84 cp BRD-A67862938 naftidrofuryl Adrenergic receptor antagonist Adrenergic receptor antagonist 4815 21.67 cp BRD-A36471396 biperiden Acetylcholine receptor antagonist CHRM1, CHRM2, CHRM3, CHRM4, CHRM5, CHRNA2 Acetylcholine receptor antagonist 4823 21.56 cp BRD-K90885812 propantheline Acetylcholine receptor antagonist CHRM1, CHRM2, CHRM3, CHRM4 Acetylcholine receptor antagonist 4825 21.54 cp BRD-K18059238 gamma-linolenic-acid Cyclooxygenase inhibitor TBXAS1 Cyclooxygenase inhibitor, Prostanoid receptor agonist 4834 21.29 cp BRD-K39391626 ethylestrenol Progesterone receptor agonist AR Progesterone receptor agonist 4840 21.1 cp BRD-A78877355 nefopam Cyclooxygenase inhibitor Cyclooxygenase inhibitor 4842 21.09 cp BRD-A42553870 L-152804 Neuropeptide receptor antagonist NPY5R Neuropeptide receptor antagonist 4876 20.66 cp BRD-A26711594 nicardipine Calcium channel blocker CACNA1C, ADORA3, ADRA1A, ADRA1B, ADRA1D, CACNA1D, CACNA2D1, CACNB2, CALM1, CHRM1, CHRM2, CHRM3, CHRM4, CHRM5, PDE1A, PDE1B Calcium channel blocker 4878 20.61 cp BRD-K16977723 PP-3 EGFR inhibitor EGFR inhibitor 4882 20.56 cp BRD-K85242180 beta-CCP Indoleamine 2,3-dioxygenase inhibitor GABRA1, GABRG2, IDO1 Indoleamine 2,3-dioxygenase inhibitor 4884 20.55 cp BRD-A39415247 norethisterone Progesterone receptor agonist PGR Progesterone receptor agonist 4894 20.39 cp BRD-A29485665 bicalutamide Androgen receptor antagonist AR, CYP2C19 Androgen receptor antagonist 4895 20.37 cp BRD-K47328134 lysylphenylalanyl-tyrosine Heparin activation inhibitor Heparin activation inhibitor 4897 20.33 cp BRD-K07996107 harpagoside Acetylcholinesterase inhibitor ACHE Acetylcholinesterase inhibitor 4898 20.29 cp BRD-A17411484 carprofen Cyclooxygenase inhibitor PTGS2, PTGS1 Cyclooxygenase inhibitor 4899 20.28 cp BRD-A85280935 quinpirole Dopamine receptor agonist DRD2, DRD3, DRD4, DRD1, HTR1A, HTR2A, HTR2B, HTR2C Dopamine receptor agonist 4900 20.27 cp BRD-A47598013 citalopram Serotonin reuptake inhibitor SLC6A4, SLC6A2 Serotonin reuptake inhibitor 4901 20.24 cp BRD-K57179821 crotamiton Antipruritic Antipruritic 4902 20.23 cp BRD-K01192156 tyrphostin-AG-112 Protein tyrosine kinase inhibitor EGFR Protein tyrosine kinase inhibitor 4903 20.22 cp BRD-K15935639 z-leu3-VS Proteasome inhibitor Proteasome inhibitor 4904 20.22 cp BRD-K14536225 piceid Glucosidase inhibitor GAA, XDH Glucosidase inhibitor 4906 20.18 cp BRD-K56403959 ZK-756326 CC chemokine receptor ligand CCR8 CC chemokine receptor ligand 4920 19.97 cp BRD-K48029790 OBAA Phospholipase inhibitor PLA2G1B Phospholipase inhibitor 4925 19.91 cp BRD-A92161634 scopoline Acetylcholine receptor antagonist Acetylcholine receptor antagonist 4927 19.89 cp BRD-K29173907 isoflupredone Glucocorticoid receptor agonist NR3C1 Glucocorticoid receptor agonist 4930 19.83 cp BRD-K45158365 valsartan Angiotensin receptor antagonist AGTR1 Angiotensin receptor antagonist 4932 19.79 cp BRD-A25234499 aminoglutethimide Glucocorticoid receptor antagonist CYP19A1, CYP11A1, NR3C1 Glucocorticoid receptor antagonist 4936 19.72 cp BRD-K12102668 nialamide Monoamine oxidase inhibitor COMT, MAOA, MAOB Monoamine oxidase inhibitor 4938 19.69 cp BRD-K04111260 raclopride Dopamine receptor antagonist DRD2, DRD3, HTR1A Dopamine receptor antagonist 4940 19.68 cp BRD-A03359064 ICI-89406 Adrenergic receptor antagonist ADRB1, ADRB2 Adrenergic receptor antagonist 4943 19.64 cp BRD-K72034655 peucedanin Apoptosis stimulant Apoptosis stimulant 4947 19.48 cp BRD-A09722536 cyclophosphamide DNA alkylating agent BCL2, CYP2B6, CYP2C19, CYP3A5, LGALS1 DNA alkylating agent 4949 19.47 cp BRD-K68202742 trichostatin-a HDAC inhibitor HDAC7, HDAC8, HDAC1, HDAC10, HDAC2, HDAC3, HDAC4, HDAC5, HDAC6, HDAC9 HDAC inhibitor, CDK activator, ID1 inhibitor 4950 19.45 cp BRD-K49049886 CGS-15943 Adenosine receptor antagonist ADORA1, ADORA2A, ADORA2B, ADORA3 Adenosine receptor antagonist 4959 19.32 cp BRD-A98283014 calmidazolium Calcium channel blocker ATP2B1, PDE1A Calcium channel blocker, Calmodulin antagonist 4961 19.27 cp BRD-K12867552 THM-I-94 HDAC inhibitor HDAC1, HDAC10, HDAC2, HDAC3, HDAC6, HDAC8 HDAC inhibitor 4962 19.25 cp BRD-K26134695 calpeptin Calpain inhibitor Calpain inhibitor 4963 19.24 cp BRD-K30697463 desoximetasone Glucocorticoid receptor agonist NR3C1, PLA2G1B Glucocorticoid receptor agonist 4971 19.13 cp BRD-K36638830 anabasine Acetylcholine receptor agonist Acetylcholine receptor agonist 4972 19.11 cp BRD-K31054881 BMY-7378 Adrenergic receptor antagonist HTR1A, ADRA1D, ADRA1A, ADRA1B Adrenergic receptor antagonist, Serotonin receptor antagonist 4974 19.08 cp BRD-A62057054 MDL-11939 Serotonin receptor antagonist HTR2A, HTR2B, HTR2C Serotonin receptor antagonist 4981 18.95 cp BRD-K30480208 torasemide Electrolyte reabsorption inhibitor SLC12A1, CYP2C8, SLC12A2 Electrolyte reabsorption inhibitor, Thromboxane receptor antagonist 4983 18.94 cp BRD-K14200658 syrosingopine Vesicular monoamine transporter inhibitor SLC18A2, SLC18A1 Vesicular monoamine transporter inhibitor 4986 18.91 cp BRD-K61177364 NBI-27914 CRF receptor antagonist CRHR1 CRF receptor antagonist 4987 18.91 cp BRD-A26845397 isamoltan Adrenergic receptor antagonist ADRB1, ADRB2 Adrenergic receptor antagonist 4989 18.88 cp BRD-K94830329 ataluren CFTR channel agonist CFTR, DMD, F8, F9 CFTR channel agonist, Dystrophin stimulant 4997 18.76 cp BRD-K82255054 propofol GABA receptor agonist CYP2B6, FAAH, GABRA1, GABRA2, GABRA3, GABRA4, GABRA5, GABRA6, GABRB1, GABRB2, GABRB3, GABRD, GABRE, GABRG1, GABRG2, GABRG3, GABRP, GABRQ, SCN2A, SCN4A, TRPV1 GABA receptor agonist 5000 18.69 cp BRD-K96271548 coumaric-acid Antioxidant Antioxidant 5002 18.66 cp BRD-K46068882 eugenitol Bacterial quorum sensing inhibitor AR, MAOA Bacterial quorum sensing inhibitor, Chromone, Monoamine oxidase inhibitor, Androgen receptor antagonist 5003 18.66 cp BRD-A01826957 xanthinol Vasodilator Vasodilator 5005 18.61 cp BRD-K65331431 retinyl vitamin analog vitamin analog 5012 18.52 cp BRD-K86509404 iso-olomoucine CDK inhibitor CDK inhibitor 5014 18.5 cp BRD-K16233984 eriochrome-black-t Azo dye Azo dye 5027 18.32 cp BRD-K10870738 CDC Lipoxygenase inhibitor ALOX12, ALOX5 Lipoxygenase inhibitor 5032 18.28 cp BRD-K60274257 dephostatin Tyrosine phosphatase inhibitor PTPN1, PTPN6 Tyrosine phosphatase inhibitor 5036 18.18 cp BRD-A62021152 WAY-161503 Serotonin receptor agonist HTR2C Serotonin receptor agonist 5037 18.15 cp BRD-A04756508 norgestimate Progesterone receptor agonist PGR, ESR1 Progesterone receptor agonist 5039 18.14 cp BRD-K90789829 nefazodone Adrenergic inhibitor HTR2A, SLC6A4, HTR2C, SLC6A2, ADRA1A, ADRA1B, ADRA2A, CYP3A4, CYP3A5, CYP3A7, HTR1A, SLC6A3 Adrenergic inhibitor, Norepinephrine reuptake inhibitor, Serotonin receptor antagonist, Serotonin reuptake inhibitor 5044 18.06 cp BRD-K53979406 ALX-5407 Glycine transporter inhibitor SLC6A9 Glycine transporter inhibitor 5046 18.04 cp BRD-A65076780 dihydroergocristine Adrenergic receptor antagonist HTR2A, ADRA1A, ADRB1, DRD1, DRD2, DRD3, DRD4, DRD5, HTR1A, HTR3A, HTR4, HTR5A, HTR6, HTR7 Adrenergic receptor antagonist, Prolactin inhibitor 5052 17.9 cp BRD-K60623809 SU-11652 Tyrosine kinase inhibitor KDR, PDGFRB, CAMK1G, FGF2, FGFR1, FLT1, KIT, PDGFRA Tyrosine kinase inhibitor 5053 17.9 cp BRD-K81839095 estrone Estrogen receptor agonist ESR1, ESR2 Estrogen receptor agonist, Estrogenic hormone 5057 17.82 cp BRD-K64044582 linoleamide ACAT inhibitor SOAT1, SOAT2 ACAT inhibitor 5058 17.8 cp BRD-K82484965 carmoxirole Dopamine receptor agonist DRD2 Dopamine receptor agonist 5061 17.71 cp BRD-K40892394 AR-C133057XX Nitric oxide synthase inhibitor NOS2, NOS1 Nitric oxide synthase inhibitor 5072 17.53 cp BRD-A34706053 CGP-12177 Adrenergic receptor agonist ADRB1, ADRB2, ADRB3 Adrenergic receptor agonist 5073 17.49 cp BRD-A43849199 karakoline Phytotoxin Phytotoxin 5079 17.43 cp BRD-A52326238 isogedunin HSP inhibitor HSP inhibitor 5084 17.37 cp BRD-A16444946 acarbose Glucosidase inhibitor GAA, MGAM, AMY2A, SI Glucosidase inhibitor 5086 17.36 cp BRD-K40992116 parachlorophenol Anti-infective Anti-infective 5092 17.25 cp BRD-K56301217 ABT-737 BCL inhibitor BCL2, BCL2L1, BCL2L2 BCL inhibitor 5095 17.2 cp BRD-K83063356 RS-102895 CCR antagonist CCR2 CCR antagonist 5099 17.11 cp BRD-A08877921 cephalotaxine Protein synthesis inhibitor Protein synthesis inhibitor 5100 17.1 cp BRD-A28970875 puromycin Protein synthesis inhibitor NHP2L1, RPL10L, RPL11, RPL13A, RPL15, RPL19, RPL23, RPL23A, RPL26L1, RPL3, RPL37, RPL8, RSL24D1 Protein synthesis inhibitor 5107 16.96 cp BRD-K66956375 oleoylethanolamide Cannabinoid receptor agonist CNR1, GPR119, GPR55, KCND3, PPARA Cannabinoid receptor agonist, Glucose dependent insulinotropic receptor agonist, Potassium channel blocker, PPAR receptor agonist 5110 16.95 cp BRD-K69690935 curcumin Cyclooxygenase inhibitor PTGS1, PTGS2, APP, CA1, CA12, CA14, CA2, CA4, CA6, CA9, CCND1, CYP3A4, DNMT1, DNMT3B, EP300, G6PC, MAPT, MMP13, MMP9, NOS2, XDH Cyclooxygenase inhibitor, Histone acetyltransferase inhibitor, Lipoxygenase inhibitor, NFkB pathway inhibitor 5112 16.94 cp BRD-A08709697 heliotrine Pyrrolizidine alkaloid Pyrrolizidine alkaloid 5114 16.88 cp BRD-A03816571 CP-55940 Cannabinoid receptor agonist CNR1, CNR2, CXCR4, GPR55 Cannabinoid receptor agonist 5116 16.87 cp BRD-K78278890 NM-PP1 Mutant kinase inhibitor CAMK2A, LCK, MAPK8, PRKACA, RIPK2, SRC Mutant kinase inhibitor 5127 16.71 cp BRD-K02992638 lamivudine Nucleoside reverse transcriptase inhibitor Nucleoside reverse transcriptase inhibitor 5129 16.68 cp BRD-K01624546 docosatrienoic-acid LTB4 inhibitor LTB4 inhibitor 5137 16.44 cp BRD-K19533706 tranilast Angiogenesis inhibitor HPGDS, HRH1, IDO1, IFNG, IL10, IL2, IL4, SLC22A12, TGFB1, TNF, TRPV2 Angiogenesis inhibitor 5144 16.28 cp BRD-A71157293 fursultiamine Vitamin B Vitamin B 5147 16.26 cp BRD-K51223576 AG-99 Tyrosine kinase inhibitor EGFR Tyrosine kinase inhibitor 5151 16.2 cp BRD-K32610195 androstenedione Cytochrome P450 inhibitor AKR1C3, HSD17B1, HSD3B1 Cytochrome P450 inhibitor 5161 16.09 cp BRD-K84955386 hyperoside Glucosidase inhibitor ACE, AKR1B1, GAA Glucosidase inhibitor 5163 16.07 cp BRD-A62071884 siguazodan Phosphodiesterase inhibitor PDE3A Phosphodiesterase inhibitor 5165 16.06 cp BRD-A49358627 ciprofibrate PPAR receptor agonist PPARA, LPL PPAR receptor agonist 5166 16.01 cp BRD-K37691127 hinokitiol Tyrosinase inhibitor TYR Tyrosinase inhibitor 5172 15.92 cp BRD-K17110974 aristolochic-acid Phospholipase inhibitor Phospholipase inhibitor 5173 15.91 cp BRD-K04710043 hexamethylenebisacetamide AKT inhibitor AKT inhibitor, Differentiation inducer, NFkB pathway inhibitor 5175 15.83 cp BRD-K81855038 roxatidine Histamine receptor antagonist HRH2 Histamine receptor antagonist 5176 15.83 cp BRD-K61250553 loperamide Opioid receptor agonist OPRM1, OPRD1, CACNA1A, CALM1, CYP2B6, CYP2C8, NPR2, OPRK1, POMC Opioid receptor agonist 5177 15.82 cp BRD-K74141488 naftifine Fungal squalene epoxidase inhibitor SQLE Fungal squalene epoxidase inhibitor 5178 15.81 cp BRD-K28667793 pyrazinamide Fatty acid synthase inhibitor FASN Fatty acid synthase inhibitor 5184 15.66 cp BRD-K59273480 propentofylline Adenosine reuptake inhibitor ACHE Adenosine reuptake inhibitor, Phosphodiesterase inhibitor 5192 15.51 cp BRD-A15530910 carpindolol Adrenergic receptor antagonist Adrenergic receptor antagonist, Serotonin receptor antagonist 5196 15.5 cp BRD-A58048407 nimodipine Calcium channel blocker CACNA1C, NR3C2, AHR, CACNA1D, CACNA1F, CACNA1S, CACNB1, CACNB2, CACNB3, CACNB4, CFTR Calcium channel blocker 5203 15.32 cp BRD-A63043573 cabergoline Dopamine receptor agonist DRD2, ADRA1A, ADRA2A, ADRA2B, ADRA2C, DRD1, DRD3, DRD4, DRD5, HTR1A, HTR1B, HTR1D, HTR2A, HTR2B, HTR2C, ADRA1B, ADRA1D, ADRB1, ADRB2, HTR7, PRL Dopamine receptor agonist 5210 15.22 cp BRD-K80527266 triacsin-c Adrenergic receptor antagonist ACSL1 Adrenergic receptor antagonist 5212 15.18 cp BRD-K19136521 indirubin CDK inhibitor CDK1, CDK5, CCNE1, CDK2, CDK4, CDK5R1, CDK9, GSK3A, GSK3B, LCK, LRRK1, LRRK2 CDK inhibitor 5214 15.15 cp BRD-K94920105 DR-2313 PARP inhibitor PARP1, PARP3 PARP inhibitor 5215 15.13 cp BRD-K63641886 cefuroxime Bacterial cell wall synthesis inhibitor Bacterial cell wall synthesis inhibitor 5220 15.01 cp BRD-K39746403 erythromycin NFkB pathway inhibitor CYP3A4, MLNR NFkB pathway inhibitor 5223 14.96 cp BRD-K14681867 somatostatin Somatostatin receptor agonist SSTR1, SSTR2, SSTR3, SSTR4, SSTR5, GH1, GHR, OPRD1, OPRM1 Somatostatin receptor agonist 5230 14.86 cp BRD-A09828896 SKF-81297 Dopamine receptor agonist DRD1, DRD5 Dopamine receptor agonist 5232 14.84 cp BRD-A93000692 ciglitazone PPAR receptor agonist PPARG, INS PPAR receptor agonist 5233 14.83 cp BRD-K59522102 piperine Monoamine oxidase inhibitor MAOA, MAOB, TRPV1 Monoamine oxidase inhibitor 5238 14.71 cp BRD-K32311154 nifekalant Potassium channel blocker Potassium channel blocker 5239 14.71 cp BRD-K66707493 lawsone Coloring agent Coloring agent 5240 14.68 cp BRD-K43468059 byssochlamic-acid Mycotoxin Mycotoxin 5242 14.58 cp BRD-A99177642 deltaline Acetylcholine receptor antagonist CHRNA7 Acetylcholine receptor antagonist 5243 14.57 cp BRD-K85266041 DNQX Glutamate receptor antagonist GRIA1, GRIA2, GRIK1, GRIN1, GRIN2A, GRIN2B Glutamate receptor antagonist 5244 14.48 cp BRD-K59574735 ubenimex Leukotriene inhibitor LTA4H, ANPEP, RNPEP Leukotriene inhibitor 5260 14.32 cp BRD-K10670311 sulfasalazine Antirheumatic PTGS1, PTGS2, ACAT1, ALOX5, CHUK, IKBKB, PLA2G1B, PPARG, SLC46A1, SLC7A11, TBXAS1 Antirheumatic, NFkB pathway inhibitor 5261 14.28 cp BRD-K17796732 JWH-015 Cannabinoid receptor agonist CNR2, GPR55 Cannabinoid receptor agonist 5263 14.27 cp BRD-K22227508 targinine Nitric oxide synthase inhibitor NOS2, NOS3 Nitric oxide synthase inhibitor 5268 14.23 cp BRD-A62525898 prednisone Glucocorticoid receptor agonist NR3C1, HSD11B1 Glucocorticoid receptor agonist 5272 14.19 cp BRD-K13800121 parecoxib Cyclooxygenase inhibitor LTF, PTGS2 Cyclooxygenase inhibitor 5273 14.17 cp BRD-K23583188 lavendustin-a EGFR inhibitor EGFR, LCK EGFR inhibitor 5280 14.06 cp BRD-K45435259 SCH-23390 Dopamine receptor antagonist DRD1, DRD5, HTR2C, KCNJ4, KCNJ6 Dopamine receptor antagonist 5281 14.06 cp BRD-K85013741 auraptene Nitric oxide production inhibitor MAOB Nitric oxide production inhibitor 5288 13.97 cp BRD-A77349281 RK-682 Tyrosine phosphatase inhibitor HPSE, PTPN1 Tyrosine phosphatase inhibitor 5289 13.96 cp BRD-A28318179 aminomethyltransferase Nitric oxide synthase inhibitor NOS2 Nitric oxide synthase inhibitor 5291 13.9 cp BRD-A63546914 RO-04-5595 Glutamate receptor antagonist Glutamate receptor antagonist 5294 13.85 cp BRD-K02404261 caffeine Adenosine receptor antagonist ADORA1, ADORA2A, ADORA2B, ATM, ITPR1, RYR1, ADORA3, ATR, ITPR2, ITPR3, PDE10A, PDE11A, PDE1A, PDE1B, PDE1C, PDE2A, PDE3A, PDE3B, PDE4A, PDE4B, PDE4C, PDE4D, PDE5A, PDE6A, PDE6B, PDE6C, PDE7A, PDE7B, PDE8A, PDE8B, PDE9A, PIK3CA, PIK3CB, PIK3CD, PRKDC, RYR2, RYR3 Adenosine receptor antagonist, Diuretic, Phosphodiesterase inhibitor 5298 13.78 cp BRD-A29644307 nomifensine Dopamine uptake inhibitor SLC6A2, SLC6A3, DRD2, MAOA, MAOB, MPO Dopamine uptake inhibitor, Noradrenaline uptake inhibitor 5306 13.59 cp BRD-K59753853 MDL-29951 Glutamate receptor antagonist FBP1, GPR17 Glutamate receptor antagonist 5310 13.52 cp BRD-K40619305 larixinic-acid Compound that interacts with metal centers Compound that interacts with metal centers 5311 13.51 cp BRD-K13169950 NSC-3852 HDAC inhibitor HDAC1 HDAC inhibitor 5317 13.39 cp BRD-K92778217 mefenamic-acid Cyclooxygenase inhibitor PTGS2, PTGS1, KCNQ1, TRPM3 Cyclooxygenase inhibitor 5318 13.34 cp BRD-K62965247 tipifarnib-P2 farnesyltransferase inhibitor FNTA, FNTB farnesyltransferase inhibitor 5321 13.31 cp BRD-K86595100 chlordiazepoxide Benzodiazepine receptor agonist GABRA1, GABRA2, GABRA3, GABRA4, GABRA5, GABRA6, GABRB1, GABRB2, GABRB3, GABRD, GABRE, GABRG1, GABRG2, GABRG3, GABRP, GABRQ Benzodiazepine receptor agonist 5322 13.28 cp BRD-K64994968 progesterone Progesterone receptor agonist PGR, CYP17A1, NR3C2, CATSPER1, CATSPER2, CATSPER3, CATSPER4, CYP2C19, ESR1, OPRK1, TRPC5 Progesterone receptor agonist 5325 13.22 cp BRD-K54210043 NS-1619 Calcium channel activator KCNMA1, KCNT1, KCNT2, KCNU1 Calcium channel activator 5330 13.19 cp BRD-A70268693 PG-9 Acetylcholine receptor agonist Acetylcholine receptor agonist 5334 13.13 cp BRD-K28183345 proguanil Dihydrofolate reductase inhibitor CYP2C19, DHFR Dihydrofolate reductase inhibitor 5337 13.08 cp BRD-K07237224 moclobemide Monoamine oxidase inhibitor MAOA, CYP2C19, MAOB Monoamine oxidase inhibitor 5350 12.8 cp BRD-K31627533 rimexolone Glucocorticoid receptor agonist NR3C1, SERPINA6 Glucocorticoid receptor agonist 5353 12.75 cp BRD-K81729199 AQ-RA741 Acetylcholine receptor antagonist Acetylcholine receptor antagonist 5354 12.75 cp BRD-A54487287 cortisone Glucocorticoid receptor agonist NR3C1 Glucocorticoid receptor agonist 5355 12.74 cp BRD-K69328504 L-690488 Inositol monophosphatase inhibitor IMPA1 Inositol monophosphatase inhibitor 5362 12.64 cp BRD-K50938287 sumatriptan Serotonin receptor agonist HTR1D, HTR1B, HTR1A, HTR1F, HTR1E, HTR5A, HTR6, HTR7 Serotonin receptor agonist 5366 12.57 cp BRD-A94709349 metaxalone Muscle relaxant Muscle relaxant 5371 12.52 cp BRD-A56020723 CA-074-Me Cathepsin inhibitor CTSB Cathepsin inhibitor 5374 12.5 cp BRD-K57930253 nitrazepam Benzodiazepine receptor agonist GABRA1, GABRA2, GABRA3, GABRA4, GABRA5, GABRA6, GABRB1, GABRB2, GABRB3, GABRD, GABRE, GABRG1, GABRG2, GABRG3, GABRP, GABRQ, GABRR1, GABRR2, GABRR3, SCN1A Benzodiazepine receptor agonist 5375 12.5 cp BRD-K96862998 pirfenidone TGF beta receptor inhibitor TNF, FURIN, MAPK14, TNFRSF1A TGF beta receptor inhibitor 5377 12.47 cp BRD-K78659596 MLN-2238 Proteasome inhibitor PSMB1 Proteasome inhibitor 5384 12.22 cp BRD-K40624912 ZM-39923 JAK inhibitor JAK1, JAK3 JAK inhibitor 5393 12.18 cp BRD-K35723520 darinaparsin Apoptosis stimulant Apoptosis stimulant 5394 12.17 cp BRD-K92678294 irilin-a Isoflavone Isoflavone 5398 12.09 cp BRD-A53576514 orphenadrine Acetylcholine receptor antagonist CYP2B6, GRIN1, GRIN2D, GRIN3A, GRIN3B, HRH1, SCN10A, SLC6A2 Acetylcholine receptor antagonist 5421 11.8 cp BRD-K15868788 SDZ-205-557 Serotonin receptor antagonist HTR3A, HTR3B, HTR4 Serotonin receptor antagonist 5423 11.8 cp BRD-A05352148 ipratropium Acetylcholine receptor antagonist CHRM1, CHRM2, CHRM3, CHRM4, CHRM5 Acetylcholine receptor antagonist 5427 11.73 cp BRD-A92826379 lupanine Sodium channel blocker INS Sodium channel blocker 5434 11.63 cp BRD-K73824630 skatole Thrombin inhibitor F2 Thrombin inhibitor 5436 11.6 cp BRD-K42098891 protriptyline Tricyclic antidepressant SLC6A2, SLC6A4 Tricyclic antidepressant 5442 11.56 cp BRD-K46212057 voriconazole Cytochrome P450 inhibitor CYP2C19, CYP51A1 Cytochrome P450 inhibitor 5451 11.38 cp BRD-K36395411 SB-206553 Serotonin receptor antagonist HTR2B, HTR2C, HTR1A, HTR2A Serotonin receptor antagonist 5480 10.89 cp BRD-A95696820 acadesine AMPK activator AMPK activator 5481 10.88 cp BRD-A49160188 donepezil Acetylcholinesterase inhibitor ACHE, HTR2A Acetylcholinesterase inhibitor 5486 10.73 cp BRD-K67637637 olopatadine Histamine receptor antagonist HRH1, S100A1, S100A12, S100A13, S100A2, S100B Histamine receptor antagonist 5488 10.71 cp BRD-K96809896 SKF-86002 p38 MAPK inhibitor ALOX5, MAPK14 p38 MAPK inhibitor 5489 10.71 cp BRD-A66927094 nemonapride Dopamine receptor antagonist DRD2, DRD3, DRD4 Dopamine receptor antagonist 5494 10.65 cp BRD-K87142802 veliparib PARP inhibitor PARP1, PARP2 PARP inhibitor 5496 10.64 cp BRD-A64092382 mexiletine Sodium channel blocker SCN5A, AHR, CYP2B6, CYP2E1, KCNK2, KCNK3, SCN4A Sodium channel blocker 5506 10.45 cp BRD-K79366068 PSB-069 NTPDase inhibitor ENTPD1, ENTPD2, ENTPD3 NTPDase inhibitor 5510 10.41 cp BRD-K62056274 quipazine Serotonin receptor agonist HTR2A, HTR3A, HTR3B, HTR1A, HTR1D, HTR2B, HTR2C, HTR6, SLC6A4 Serotonin receptor agonist 5515 10.3 cp BRD-K55301415 abiraterone 17,20 lyase inhibitor CYP17A1, CYP11B1 17,20 lyase inhibitor, Androgen biosynthesis inhibitor, Cytochrome P450 inhibitor, Steroid sulfatase inhibitor 5516 10.26 cp BRD-A31575449 CGP-20712 Adrenergic receptor antagonist ADRB1, ADRB3 Adrenergic receptor antagonist 5521 10.18 cp BRD-A02189320 met-leu-phe -666 -666 5530 9.99 cp BRD-K05181084 NGB-2904 Dopamine receptor antagonist DRD3 Dopamine receptor antagonist 5536 9.91 cp BRD-K63343048 orlistat Lipase inhibitor PNLIP, DAGLA, FASN, LIPF, CNR1, DAGLB Lipase inhibitor 5539 9.78 cp BRD-K13664374 dichloroacetic-acid Pyruvate dehydrogenase kinase inhibitor PDK1 Pyruvate dehydrogenase kinase inhibitor 5552 9.43 cp BRD-K39965020 doconexent PPAR receptor agonist FFAR1, PPARA, PTGS1, PTGS2 PPAR receptor agonist 5554 9.37 cp BRD-A96456596 FPL-55712 Leukotriene receptor antagonist Leukotriene receptor antagonist 5555 9.35 cp BRD-K39621635 artemether Antimalarial ATP1A1, CYP2B6, CYP2C19, CYP3A5 Antimalarial 5562 9.23 cp BRD-A99411506 esculin Antioxidant Antioxidant 5565 9.2 cp BRD-K52930707 rescinnamine ACE inhibitor ACE ACE inhibitor 5567 9.19 cp BRD-K49481516 galantamine Acetylcholinesterase inhibitor ACHE, BCHE, CHRNA1, CHRNA10, CHRNA2, CHRNA3, CHRNA4, CHRNA5, CHRNA6, CHRNA7, CHRNA9, CHRNB1, CHRNB2, CHRNB3, CHRNB4, CHRND, CHRNE, CHRNG Acetylcholinesterase inhibitor 5568 9.16 cp BRD-A70083328 secnidazole Acetylcholinesterase inhibitor Acetylcholinesterase inhibitor, Microtubule inhibitor, Antiprotozoal 5572 9.11 cp BRD-A31195449 TCB2 Serotonin receptor agonist HTR2A Serotonin receptor agonist 5576 9 cp BRD-K77171813 proxyfan Histamine receptor modulator HRH3 Histamine receptor modulator 5578 8.98 cp BRD-A23637604 oxymetholone Androgen receptor agonist AR Androgen receptor agonist 5583 8.93 cp BRD-A19661776 mianserin Serotonin receptor antagonist HTR2A, HTR2C, ADRA1A, ADRA1B, ADRA1D, HRH1, HTR2B, HTR6, HTR7, ADRA2A, ADRA2B, ADRA2C, DRD1, DRD2, DRD3, DRD5, HRH2, HRH4, HTR1A, HTR1F, OPRK1, SLC6A2, SLC6A3, SLC6A4 Serotonin receptor antagonist 5592 8.83 cp BRD-A54490543 pirlindole Monoamine oxidase inhibitor MAOA, SLC6A2, SLC6A4 Monoamine oxidase inhibitor 5594 8.79 cp BRD-K85871428 SC-68376 p38 MAPK inhibitor MAPK14 p38 MAPK inhibitor 5603 8.67 cp BRD-A07875874 cilnidipine Calcium channel blocker CACNA1B, CACNA1C Calcium channel blocker 5605 8.65 cp BRD-K26429091 J-104129 Acetylcholine receptor antagonist CHRM3 Acetylcholine receptor antagonist 5615 8.31 cp BRD-K88304388 dextrorphan Glutamate receptor antagonist OPRM1, OPRK1, OPRD1, GRIN1, HTR1A, SLC6A2 Glutamate receptor antagonist 5626 8.15 cp BRD-K09963420 saquinavir HIV protease inhibitor CYP3A4, CYP3A5 HIV protease inhibitor 5636 7.93 cp BRD-K82561139 ricinine Casein kinase inhibitor Casein kinase inhibitor 5643 7.76 cp BRD-K59332007 linopirdine Potassium channel blocker KCNQ2, KCNQ3, KCNQ4, KCNQ5 Potassium channel blocker 5649 7.62 cp BRD-K06159959 CCMQ Inhibitor of the binding of homoquinolinic acid to non-NMDA sensitive sites Inhibitor of the binding of homoquinolinic acid to non-NMDA sensitive sites 5654 7.54 cp BRD-A49172652 lansoprazole ATPase inhibitor ATP4A, CYP2C19, CYP3A4, CYP3A5 ATPase inhibitor 5655 7.51 cp BRD-K01493881 apigenin Casein kinase inhibitor AKR1B1, AR, CDK6, CFTR, CYP19A1, CYP1A2, CYP1B1, HSD17B1, MAOA, ODC1, XDH Casein kinase inhibitor, Cell proliferation inhibitor, Cytochrome P450 inhibitor 5657 7.51 cp BRD-K86600316 RS-79948 Adrenergic receptor antagonist Adrenergic receptor antagonist 5660 7.41 cp BRD-K94649603 taxifolin Opioid receptor antagonist APOB, APP, HMGCR Opioid receptor antagonist 5661 7.41 cp BRD-K24675965 LY-288513 CCK receptor antagonist CCKBR CCK receptor antagonist 5664 7.36 cp BRD-K14920963 erythrosine Coloring agent Coloring agent 5666 7.35 cp BRD-K71003802 hippeastrine Plant alkaloid Plant alkaloid 5667 7.34 cp BRD-K38449220 seneciphylline Cytochrome P450 inhibitor Cytochrome P450 inhibitor 5672 7.23 cp BRD-A96882008 L-732138 Tachykinin antagonist TACR1, TACR2 Tachykinin antagonist 5675 7.19 cp BRD-K68190965 GR-46611 Serotonin receptor agonist HTR1D Serotonin receptor agonist 5677 7.16 cp BRD-K15025317 BAY-11-7821 NFkB pathway inhibitor RELA NFkB pathway inhibitor 5678 7.16 cp BRD-K49945136 GR-113808 Serotonin receptor antagonist HTR4 Serotonin receptor antagonist 5679 7.15 cp BRD-K67506692 tyrphostin-AG-126 ERK1 and ERK2 phosphorylation inhibitor ERK1 and ERK2 phosphorylation inhibitor 5684 7.1 cp BRD-A83892713 rifampicin RNA polymerase inhibitor NR1I2, ABCB1, CYP2B6, CYP2C19, CYP2C8, CYP3A4, CYP3A5, SLCO1A2, SLCO1B1, SLCO1B3 RNA polymerase inhibitor 5687 6.98 cp BRD-K54316499 tolterodine Acetylcholine receptor antagonist CHRM2, CHRM3, CHRM1, CHRM4, CHRM5 Acetylcholine receptor antagonist 5700 6.59 cp BRD-A31312900 montelukast Leukotriene receptor antagonist CYSLTR1, ALOX5, CYP2C8 Leukotriene receptor antagonist 5705 6.48 cp BRD-U08759356 EI-346-erlotinib-analog EGFR inhibitor EGFR EGFR inhibitor 5706 6.42 cp BRD-K91290917 amodiaquine Histamine receptor agonist HNMT, CYP2C8 Histamine receptor agonist 5708 6.3 cp BRD-K12357156 AG-490 EGFR inhibitor JAK2, JAK3, EGFR, STAT3 EGFR inhibitor, ErbB2 inhibitor, JAK inhibitor 5710 6.29 cp BRD-K64341947 CFM-1571 Guanylate cyclase activator Guanylate cyclase activator 5712 6.23 cp BRD-A42831637 tetrahydrocannabinol-7-oic-acid Anti-inflammatory Anti-inflammatory, Cannabinoid metabolite 5713 6.21 cp BRD-K68507560 dicycloverine Acetylcholine receptor antagonist CHRM1, CHRM2, CHRM3 Acetylcholine receptor antagonist 5717 6.07 cp BRD-K93480852 KN-93 Calcium-calmodulin dependent protein kinase inhibitor CAMK2A Calcium-calmodulin dependent protein kinase inhibitor 5718 6.06 cp BRD-K49890030 gavestinel Glutamate receptor antagonist GLRB Glutamate receptor antagonist 5730 5.9 cp BRD-K09471561 levofloxacin Bacterial DNA gyrase inhibitor TOP2A Bacterial DNA gyrase inhibitor 5733 5.87 cp BRD-K54704028 BAY-36-7620 Glutamate receptor antagonist GRM1 Glutamate receptor antagonist 5734 5.81 cp BRD-K35430135 SR-59230A Adrenergic receptor antagonist ADRB3, ADRB1, ADRB2 Adrenergic receptor antagonist 5737 5.73 cp BRD-K74761218 WT-171 HDAC inhibitor HDAC6 HDAC inhibitor 5738 5.6 cp BRD-K47679368 bromfenac Cyclooxygenase inhibitor PTGS1, PTGS2 Cyclooxygenase inhibitor 5740 5.49 cp BRD-K87573634 propylpyrazole Estrogen receptor agonist ESR1 Estrogen receptor agonist 5743 5.4 cp BRD-K04412738 tramadol Norepinephrine reuptake inhibitor OPRM1, SLC6A2, SLC6A4, CHRFAM7A, CHRM3, CYP2B6, GRIN3A, HTR2C, OPRD1, OPRK1 Norepinephrine reuptake inhibitor, Opioid receptor agonist, Serotonin reuptake inhibitor 5746 5.36 cp BRD-K83637872 SANT-1 Smoothened receptor antagonist DHH, IHH, PTCH1, SMO Smoothened receptor antagonist 5747 5.35 cp BRD-K96402602 farnesylthiotriazole PPMTase inhibitor PPMTase inhibitor 5751 5.23 cp BRD-K63504947 semaxanib VEGFR inhibitor KDR, FLT1, KIT, PDGFRB, FGFR1, FLT3, MET, PDGFRA, RET VEGFR inhibitor 5754 5.21 cp BRD-K05737787 isoeugenol Nitric oxide production inhibitor Nitric oxide production inhibitor 5758 4.93 cp BRD-K21936341 oxotremorine Acetylcholine receptor agonist CHRM2, CHRM1, CHRM3, CHRM4 Acetylcholine receptor agonist, Cholinergic receptor agonist 5767 4.57 cp BRD-A30205217 ethotoin Hydantoin antiepileptic SCN5A Hydantoin antiepileptic 5778 4.22 cp BRD-K08973992 linoleic-acid Oxidative stress inducer FABP4, FFAR1, FFAR4, HNF4A, KCNB1, PPARG, TRPM8 Oxidative stress inducer 5783 3.93 cp BRD-K21853356 RG-14620 EGFR inhibitor EGFR EGFR inhibitor 5784 3.9 cp BRD-K89125793 tinidazole Antiprotozoal Antiprotozoal 5785 3.88 cp BRD-A70407468 PSB-36 Adenosine receptor antagonist ADORA1, ADORA2A, ADORA2B, ADORA3 Adenosine receptor antagonist 5787 3.63 cp BRD-K13032584 procarbazine Monoamine oxidase inhibitor Monoamine oxidase inhibitor 5791 3.42 cp BRD-K51302260 KU-C103871 GSP agonist SMAD3 GSP agonist 5793 3.27 cp BRD-K87158025 benzamil Sodium channel blocker PKD2L1, SCNN1A, SCNN1B, SCNN1G, ASIC1, SCNN1D, SLC8A1 Sodium channel blocker 5794 3.26 cp BRD-A09467419 mebeverine Acetylcholine receptor antagonist CHRM1, CHRM2, CHRM3, CHRM4 Acetylcholine receptor antagonist 5796 3.17 cp BRD-K34170797 fexaramine FXR agonist NR1H4 FXR agonist 5804 2.75 cp BRD-A36066264 estradiol-benzoate Estrogen receptor agonist ESR1 Estrogen receptor agonist 5810 2.04 cp BRD-K86958018 olvanil TRPV agonist TRPV1, CNR1, GPR119 TRPV agonist 5812 1.97 cp BRD-A92630576 trimebutine Opioid receptor agonist CHRM1, CHRM2, CHRM3, CHRM4 Opioid receptor agonist 5813 1.85 cp BRD-A17535965 gelsemine Acetylcholine receptor antagonist GLRA3 Acetylcholine receptor antagonist, Glycine receptor antagonist 5814 1.82 cp BRD-A44780397 mifepristone Glucocorticoid receptor antagonist PGR, NR3C1, AR, CYP2B6, CYP2C8, CYP3A5, CYP3A7, NR1I2 Glucocorticoid receptor antagonist, Progesterone receptor antagonist 5817 1.48 cp BRD-A91008255 bepridil Calcium channel blocker ATP1A1, CACNA1A, CACNA1C, CACNA1H, CACNA2D2, CALM1, KCNQ1, KCNQ4, PDE1A, PDE1B, SCN5A, TNNC1 Calcium channel blocker, L-type calcium channel blocker 5825 -1.97 cp BRD-K95676198 JAK3-inhibitor-V JAK inhibitor JAK3 JAK inhibitor 5829 -2.36 cp BRD-K49657628 tyrphostin-AG-18 EGFR inhibitor EGFR EGFR inhibitor, Tyrosine kinase inhibitor 5831 -2.72 cp BRD-K79254416 decitabine DNA methyltransferase inhibitor DNMT1 DNA methyltransferase inhibitor 5833 -2.96 cp BRD-K50135270 GBR-12935 Dopamine uptake inhibitor AGTR1, SLC6A3 Dopamine uptake inhibitor 5839 -3.49 cp BRD-K93188295 ARC-239 Adrenergic receptor antagonist ADRA2B, ADRA2A, ADRA2C Adrenergic receptor antagonist 5850 -4 cp BRD-K07736136 VX-702 p38 MAPK inhibitor MAPK14, MAPK11, MAPK12 p38 MAPK inhibitor 5851 -4.12 cp BRD-K20995441 U-54494A Opioid receptor agonist Opioid receptor agonist 5862 -4.65 cp BRD-K14441456 tyrphostin-AG-556 EGFR inhibitor EGFR EGFR inhibitor 5871 -5.2 cp BRD-K50938786 ropivacaine Sodium channel blocker SCN10A, SCN9A Sodium channel blocker 5873 -5.49 cp BRD-K38251852 paxilline Potassium channel blocker ABCA1, KCNMA1, NR1H3 Potassium channel blocker 5877 -5.59 cp BRD-A93206962 L-755507 Adrenergic receptor agonist ADRB3, ADRB1, ADRB2 Adrenergic receptor agonist 5891 -6.44 cp BRD-A13650332 flucloxacillin Bacterial cell wall synthesis inhibitor Bacterial cell wall synthesis inhibitor 5896 -6.62 cp BRD-K72541103 JAK3-inhibitor-I JAK inhibitor JAK3 JAK inhibitor 5899 -6.76 cp BRD-K31553034 zibotentan Endothelin receptor antagonist EDNRA Endothelin receptor antagonist 5904 -6.99 cp BRD-K50422030 clomethiazole GABA receptor antagonist GABRA1 GABA receptor antagonist, GABA receptor modulator 5908 -7.05 cp BRD-A30655177 LFM-A13 BTK inhibitor BTK BTK inhibitor 5912 -7.19 cp BRD-K60174629 z-prolyl-prolinal Prolyl endopeptidase inhibitor PREP Prolyl endopeptidase inhibitor 5913 -7.26 cp BRD-K11634954 GBR-13069 Dopamine uptake inhibitor SLC6A3 Dopamine uptake inhibitor 5915 -7.4 cp BRD-K08502430 angiogenesis-inhibitor Angiogenesis inhibitor EGFR Angiogenesis inhibitor 5917 -7.49 cp BRD-K08998509 fananserin Dopamine receptor antagonist HTR2A, DRD4 Dopamine receptor antagonist, Serotonin receptor antagonist 5921 -7.79 cp BRD-A39522003 OMDM-2 FAAH inhibitor GPR119 FAAH inhibitor 5928 -8.05 cp BRD-K30990140 FR-122047 Cyclooxygenase inhibitor Cyclooxygenase inhibitor 5929 -8.13 cp BRD-K60060639 methyllidocaine antiarrhythmic medication antiarrhythmic medication 5930 -8.15 cp BRD-K17306061 aprepitant Tachykinin antagonist TACR1, CYP2C19 Tachykinin antagonist 5933 -8.17 cp BRD-K48923948 BMS-641988 Androgen receptor antagonist AR Androgen receptor antagonist 5937 -8.42 cp BRD-A77291778 cyclopentolate Acetylcholine receptor antagonist CHRM1 Acetylcholine receptor antagonist 5939 -8.51 cp BRD-K05396879 15-delta-prostaglandin-j2 PPAR receptor agonist PPARG, NR1H4 PPAR receptor agonist 5940 -8.57 cp BRD-A95096829 PNU-96415E Dopamine receptor antagonist Dopamine receptor antagonist 5941 -8.58 cp BRD-K56001384 antimycin-a ATP synthase inhibitor CYCS ATP synthase inhibitor 5942 -8.59 cp BRD-A15435692 BMY-14802 Sigma receptor antagonist HTR1A, SIGMAR1 Sigma receptor antagonist 5944 -8.7 cp BRD-K13544237 r(-)-propylnorapomorphine Dopamine receptor agonist DRD2, DRD1, DRD3 Dopamine receptor agonist, TRPA1 modulator 5951 -8.9 cp BRD-A02990301 lofexidine Adrenergic receptor agonist ADRA2A Adrenergic receptor agonist 5964 -9.61 cp BRD-K22010301 JLK-6 Gamma secretase inhibitor PSEN1 Gamma secretase inhibitor, Anti-amyloidogenic 5967 -9.74 cp BRD-K50018155 RS-67506 Serotonin receptor partial agonist HTR4 Serotonin receptor partial agonist 5968 -9.8 cp BRD-K91336023 mesulergine Dopamine receptor agonist HTR2A, HTR2C, HTR7, HTR2B, HTR3A, HTR3B, HTR6 Dopamine receptor agonist 5970 -9.86 cp BRD-K52850071 JAK3-Inhibitor-II JAK inhibitor EGFR, ALK, JAK1, JAK2, JAK3 JAK inhibitor 5974 -10.11 cp BRD-K40645748 mefloquine Adenosine receptor antagonist ADORA2A, HBA1, PANX1 Adenosine receptor antagonist, Hemoglobin antagonist 5976 -10.25 cp BRD-K41713976 E-4031 Potassium channel blocker KCNH2, KCNH1 Potassium channel blocker 5978 -10.26 cp BRD-K58772419 AZD-6482 PI3K inhibitor PIK3CD, PIK3CG, PIK3CA, PIK3CB PI3K inhibitor 5980 -10.38 cp BRD-K20482099 rutin Antioxidant AKR1C3, AKR1B1, F10 Antioxidant, Capillary stabilizing agent, Nitric oxide scavenger 5981 -10.39 cp BRD-A63836183 PD-123319 Angiotensin receptor antagonist AGTR2 Angiotensin receptor antagonist 5982 -10.47 cp BRD-K06024458 n-arachidonyl-GABA cannabinoid receptor agonist cannabinoid receptor agonist 5986 -10.59 cp BRD-K97863768 prothionamide Mycobacterium tuberculosis enoyl-+AFs-acyl-carrier-protein+AF0- reductase +AFs-NADH+AF0- (inhA) inhibitor Mycobacterium tuberculosis enoyl-+AFs-acyl-carrier-protein+AF0- reductase +AFs-NADH+AF0- (inhA) inhibitor 5987 -10.62 cp BRD-K53790871 triamcinolone Glucocorticoid receptor agonist NR3C1, CYP3A5, CYP3A7, SERPINA6 Glucocorticoid receptor agonist, Corticosteroid agonist, Immunosuppressant 5991 -10.76 cp BRD-K62374253 rufloxacin Bacterial DNA gyrase inhibitor Bacterial DNA gyrase inhibitor 5995 -10.83 cp BRD-K55454768 TAS-301 Calcium-calmodulin dependent protein kinase inhibitor CAMK2A Calcium-calmodulin dependent protein kinase inhibitor 5997 -10.85 cp BRD-K01815685 indole aryl hydrocarbon receptor agonist AHR, IDO1 aryl hydrocarbon receptor agonist 5999 -10.96 cp BRD-K66093087 FGIN-1-43 Benzodiazepine receptor agonist TSPO Benzodiazepine receptor agonist 6000 -10.96 cp BRD-A75552914 isoxicam Cyclooxygenase inhibitor PTGS1, PTGS2 Cyclooxygenase inhibitor 6001 -10.97 cp BRD-K92446736 zatebradine HCN channel blocker HCN1, HCN2, HCN3, HCN4 HCN channel blocker 6006 -11.12 cp BRD-A24817035 laudanosine Central nervous system agent Central nervous system agent 6009 -11.23 cp BRD-K99922388 DPO-1 Potassium channel blocker KCNA5 Potassium channel blocker 6014 -11.34 cp BRD-K99498722 NPI-2358 Tubulin inhibitor Tubulin inhibitor 6017 -11.39 cp BRD-A89672324 CGP-55845 GABA receptor antagonist GABBR1, GABBR2, KCTD12, KCTD16, KCTD8 GABA receptor antagonist 6021 -11.55 cp BRD-A22769835 homochlorcyclizine Antihistamine HRH1 Antihistamine 6024 -11.69 cp BRD-K42748308 XE-991 Potassium channel blocker KCNQ1, KCNQ2, KCNQ3, KCNQ4, KCNQ5 Potassium channel blocker 6028 -11.9 cp BRD-K53878242 MMPX Phosphodiesterase inhibitor Phosphodiesterase inhibitor 6032 -12.11 cp BRD-K51730347 diphencyprone Immunostimulant Immunostimulant 6047 -12.62 cp BRD-A16700644 isoxsuprine Adrenergic receptor agonist ADRB2 Adrenergic receptor agonist 6053 -12.87 cp BRD-A86044036 flurbiprofen Cyclooxygenase inhibitor PTGS1, PTGS2 Cyclooxygenase inhibitor 6054 -12.92 cp BRD-K55468218 spiperone Dopamine receptor antagonist ADRA1A, DRD2, DRD3, DRD4, HTR1A, HTR2A, HTR7, ADRA1B, ADRA1D, DRD1, DRD5, HTR1D, HTR2B, HTR2C, HTR6 Dopamine receptor antagonist 6063 -13.42 cp BRD-K78126613 menadione Mitochondrial DNA polymerase inhibitor AOX1, BGLAP, F10, F2, F7, F9, GGCX, NQO1, NQO2, PKM, PROC, PROS1, PROZ, VKORC1, VKORC1L1 Mitochondrial DNA polymerase inhibitor, Phosphatase inhibitor 6064 -13.44 cp BRD-K09907482 PRL-3-inhibitor-I Tyrosine phosphatase inhibitor PTP4A3 Tyrosine phosphatase inhibitor 6065 -13.46 cp BRD-K88759641 EMD-66684 Angiotensin receptor antagonist AGTR1 Angiotensin receptor antagonist 6067 -13.52 cp BRD-A14966924 alaproclate Serotonin receptor antagonist SLC6A4 Serotonin receptor antagonist 6068 -13.57 cp BRD-K02950022 BMS-299897 Gamma secretase inhibitor Gamma secretase inhibitor 6070 -13.75 cp BRD-K94841585 emodic-acid Laxative Laxative 6076 -13.91 cp BRD-K01638814 rilmenidine Adrenergic receptor agonist NISCH Adrenergic receptor agonist, Imidazoline receptor agonist 6078 -13.97 cp BRD-A70649075 sulconazole Sterol demethylase inhibitor Sterol demethylase inhibitor 6079 -13.98 cp BRD-A64125466 dehydrocholic-acid choleretic agent choleretic agent 6083 -14.04 cp BRD-A73581086 ergometrine Adrenergic receptor agonist ADRA1A, HTR1E, HTR2A Adrenergic receptor agonist, Serotonin receptor agonist 6084 -14.07 cp BRD-K73391359 quinisocaine Local anesthetic Local anesthetic 6087 -14.2 cp BRD-K70557564 zosuquidar P-glycoprotein inhibitor ABCB1, ABCB4 P-glycoprotein inhibitor 6088 -14.21 cp BRD-K48932581 cetraxate Mucus protecting agent GAST Mucus protecting agent 6092 -14.33 cp BRD-K47761761 PD-168077 Dopamine receptor agonist DRD2, DRD4 Dopamine receptor agonist 6093 -14.34 cp BRD-A24429032 HEAT Adrenergic receptor antagonist ADRA1A Adrenergic receptor antagonist 6094 -14.36 cp BRD-A07780951 orciprenaline Adrenergic receptor agonist ADRB2 Adrenergic receptor agonist 6095 -14.44 cp BRD-K22828899 TUL-XXI039 Serine/threonine kinase inhibitor Serine/threonine kinase inhibitor 6098 -14.47 cp BRD-A84493640 atovaquone Mitochondrial electron transport inhibitor DHODH Mitochondrial electron transport inhibitor 6101 -14.53 cp BRD-A04352665 maraviroc CC chemokine receptor antagonist CCR5, CYP3A5 CC chemokine receptor antagonist 6103 -14.56 cp BRD-K44442813 pidotimod Interferon receptor agonist Interferon receptor agonist, Interleukin receptor agonist 6105 -14.58 cp BRD-K96144918 mead-acid KPL-1 tumor suppressor KPL-1 tumor suppressor 6106 -14.58 cp BRD-K71534238 GW-9508 Free fatty acid receptor agonist FFAR4, FFAR1 Free fatty acid receptor agonist, G protein-coupled receptor agonist 6107 -14.63 cp BRD-A11813248 AM-92016 Potassium channel blocker GRIN1, GRIN2B Potassium channel blocker 6108 -14.66 cp BRD-K24859147 KIN001-242 Protein kinase inhibitor RPS6KA3 Protein kinase inhibitor 6118 -14.84 cp BRD-A51829654 BRL-15572 Serotonin receptor antagonist HTR1D, HTR1A, HTR1B, HTR1E, HTR1F, HTR2A, HTR2B, HTR2C, HTR6 Serotonin receptor antagonist 6124 -15.18 cp BRD-A49734948 foliosidine Plant alkaloid Plant alkaloid 6135 -15.43 cp BRD-K33459542 ditolylguanidine Sigma receptor agonist GRIN1, GRIN2A, GRIN2B, SIGMAR1 Sigma receptor agonist 6136 -15.46 cp BRD-K20287671 SU-4312 PDGFR receptor inhibitor KDR, PDGFRB PDGFR receptor inhibitor, Tyrosine kinase inhibitor, VEGFR inhibitor 6138 -15.51 cp BRD-A80960055 celastrol Anti-inflammatory IL1B, TNF Anti-inflammatory, Antioxidant, NFkB pathway inhibitor, HSP inhibitor, Topoisomerase inhibitor 6142 -15.64 cp BRD-A95869247 indapamide Thiazide diuretic KCNQ1, CA7, KCNE1, SLC12A3 Thiazide diuretic 6144 -15.7 cp BRD-A50675702 fipronil GABA gated chloride channel blocker GABA gated chloride channel blocker, Chloride channel blocker 6148 -15.85 cp BRD-K81473089 tacrine Acetylcholinesterase inhibitor ACHE, BCHE Acetylcholinesterase inhibitor, Acetylcholine release stimulant, Butyrylcholinesterase inhibitor, Potassium channel antagonist 6150 -16.02 cp BRD-K49372556 mofezolac Cyclooxygenase inhibitor Cyclooxygenase inhibitor 6151 -16.04 cp BRD-A18620900 estriol Estrogen receptor agonist ESR1, ESR2 Estrogen receptor agonist 6152 -16.05 cp BRD-K46142322 RS-67333 Serotonin receptor partial agonist HTR4 Serotonin receptor partial agonist 6157 -16.3 cp BRD-A03623303 metoprolol Adrenergic receptor antagonist ADRB1, ADRB2 Adrenergic receptor antagonist 6160 -16.38 cp BRD-K47639036 flavoxate Acetylcholine receptor antagonist CHRM1, CHRM2 Acetylcholine receptor antagonist 6161 -16.39 cp BRD-K61314889 IWR-1-ENDO PARP inhibitor TNKS, TNKS2 PARP inhibitor 6163 -16.44 cp BRD-A66435872 HTMT Histamine receptor agonist HRH4 Histamine receptor agonist 6170 -16.52 cp BRD-K56558538 ambroxol Sodium channel blocker GBA Sodium channel blocker 6173 -16.61 cp BRD-K52721684 PCO-400 Potassium channel activator ABCC9, KCNJ8 Potassium channel activator 6175 -16.66 cp BRD-A13133631 fluorometholone Glucocorticoid receptor agonist NR3C1 Glucocorticoid receptor agonist 6176 -16.68 cp BRD-K10852020 tolcapone Catechol O methyltransferase inhibitor COMT, TTR Catechol O methyltransferase inhibitor 6177 -16.69 cp BRD-K77793136 hydroxyfasudil Rho associated kinase inhibitor ROCK1, PKIA, PRKACA, ROCK2 Rho associated kinase inhibitor 6180 -16.79 cp BRD-K21667562 AM-404 Cyclooxygenase inhibitor TRPV1, CNR1, CNR2, FAAH Cyclooxygenase inhibitor, FAAH inhibitor, TRPV antagonist 6183 -16.85 cp BRD-K08890269 CO-102862 Sodium channel blocker SCN2A, SCN4A, SCN9A Sodium channel blocker 6184 -16.86 cp BRD-K96670504 lonidamine Glucokinase inhibitor GCK Glucokinase inhibitor 6185 -16.9 cp BRD-K38305202 domperidone Dopamine receptor antagonist DRD2, DRD3, ABCG2, CYP3A5 Dopamine receptor antagonist 6188 -17.04 cp BRD-K10974103 diloxanide Protein synthesis inhibitor Protein synthesis inhibitor 6189 -17.05 cp BRD-K52075715 oxibendazole Tubulin inhibitor TUBB, TUBB4B Tubulin inhibitor 6193 -17.15 cp BRD-K19352500 prochlorperazine Dopamine receptor antagonist DRD2, DRD1, DRD3, DRD4 Dopamine receptor antagonist 6195 -17.2 cp BRD-A20968261 WAY-213613 Glutamate inhibitor SLC1A2 Glutamate inhibitor 6201 -17.34 cp BRD-K63874012 thioperamide Histamine receptor antagonist HRH3, HRH4 Histamine receptor antagonist 6207 -17.49 cp BRD-A95513702 androsta-1,4-dien-3,17-dione Aromatase inhibitor CYP19A1 Aromatase inhibitor 6209 -17.51 cp BRD-A30435184 metergoline Dopamine receptor agonist DRD2, HTR1A, HTR1B, HTR1D, HTR1E, HTR1F, HTR2A, HTR2B, HTR2C, HTR5A, HTR6, HTR7 Dopamine receptor agonist, Serotonin receptor antagonist 6210 -17.52 cp BRD-A25067867 benzatropine Acetylcholine receptor antagonist CHRM1, HRH1, SLC6A3 Acetylcholine receptor antagonist 6214 -17.61 cp BRD-K00532621 midazolam Benzodiazepine receptor agonist CYP3A5, CYP3A7, GABRA1, GABRA2, GABRA3, GABRA4, GABRA5, GABRA6, GABRB1, GABRB2, GABRB3, GABRD, GABRE, GABRG1, GABRG2, GABRG3, GABRP, GABRQ, GABRR1, GABRR2, GABRR3 Benzodiazepine receptor agonist 6215 -17.62 cp BRD-A48809242 IB-MECA Adenosine receptor agonist ADORA3, ADORA1, ADORA2A, ADORA2B Adenosine receptor agonist 6219 -18.01 cp BRD-K26241953 piceatannol SYK inhibitor ATP5A1, ATP5B, ATP5C1, IRF3, PTGS2, SIRT1, SYK, TYR SYK inhibitor 6222 -18.12 cp BRD-K38003476 clocortolone Glucocorticoid receptor agonist NR3C1, PLA2G1B Glucocorticoid receptor agonist, Steroid 6223 -18.19 cp BRD-K71799949 carbamazepine Carboxamide antiepileptic ABCB1, CYP1A2, CYP3A4, SCN1A, SCN3A, SCN5A Carboxamide antiepileptic 6226 -18.28 cp BRD-K04976539 aminogenistein SRC inhibitor LCK SRC inhibitor 6228 -18.33 cp BRD-K24240364 GYKI-52466 Glutamate receptor antagonist GRIA1, GRIA2, GRIA3, GRIA4 Glutamate receptor antagonist, Kainate receptor antagonist 6229 -18.37 cp BRD-K23369905 oxiconazole Bacterial cell wall synthesis inhibitor Bacterial cell wall synthesis inhibitor 6231 -18.42 cp BRD-A02180903 betamethasone Glucocorticoid receptor agonist NR3C1 Glucocorticoid receptor agonist, Anti-inflammatory 6238 -18.56 cp BRD-A74771556 nikkomycin Chitin inhibitor Chitin inhibitor 6248 -18.95 cp BRD-K19284129 salvinorin-a Opioid receptor agonist OPRK1, OPRD1, OPRM1 Opioid receptor agonist 6257 -19.25 cp BRD-K35377380 I-OMe-AG-538 IGF-1 inhibitor IGF-1 inhibitor 6259 -19.3 cp BRD-K90382497 GW-843682X PLK inhibitor PLK1, PLK3 PLK inhibitor 6264 -19.36 cp BRD-K82216340 medroxyprogesterone progesterone receptor agonist PGR, ESR1 progesterone receptor agonist 6265 -19.36 cp BRD-K20141153 atomoxetine Norepinephrine transporter inhibitor SLC6A2, SLC6A3, SLC6A4, GRIN1, GRIN2A, GRIN2B, GRIN2C, GRIN2D, GRIN3A, GRIN3B Norepinephrine transporter inhibitor 6266 -19.36 cp BRD-K78637815 LY-320135 Cannabinoid receptor antagonist CNR1 Cannabinoid receptor antagonist 6268 -19.41 cp BRD-K41051431 mecillinam Bacterial cell wall synthesis inhibitor Bacterial cell wall synthesis inhibitor 6270 -19.48 cp BRD-K77175907 calcifediol Vitamin D receptor agonist VDR Vitamin D receptor agonist 6275 -19.6 cp BRD-A75455249 kavain Calcium channel modulator MTOR Calcium channel modulator, Sodium channel blocker 6277 -19.62 cp BRD-K94080537 diethyltoluamide DEET activator of fly antenna ionotropic receptor IR40a DEET activator of fly antenna ionotropic receptor IR40a 6278 -19.72 cp BRD-K60298136 ITE Aryl hydrocarbon receptor agonist AHR Aryl hydrocarbon receptor agonist 6282 -19.96 cp BRD-A52172093 VU-0413807-2 Calcium channel blocker CACNA1G, CACNA1H, CACNA1I Calcium channel blocker 6284 -20.05 cp BRD-K31471398 dihydrexidine Dopamine receptor agonist DRD1, DRD2, DRD3, DRD4, DRD5 Dopamine receptor agonist 6289 -20.18 cp BRD-A54845972 dihydroergotamine Serotonin receptor agonist HTR1D, HTR1B, ADRA2A, DRD2, HTR1E, HTR1F, HTR2B, HTR7 Serotonin receptor agonist 6291 -20.23 cp BRD-K40227168 vinburnine Adrenergic receptor antagonist CHRM1, CHRM2, CHRM3, CHRM4 Adrenergic receptor antagonist 6293 -20.28 cp BRD-K95202259 ML-3163 p38 MAPK inhibitor CYP2D6, CYP3A4, MAPK11, MAPK12, MAPK14 p38 MAPK inhibitor 6294 -20.29 cp BRD-K68264559 brimonidine Adrenergic receptor agonist ADRA2A, ADRA2B, ADRA2C, AOX1 Adrenergic receptor agonist 6295 -20.34 cp BRD-K34154330 tracazolate GABA receptor modulator GABRA1 GABA receptor modulator 6301 -20.46 cp BRD-A43882281 pinacidil ATP channel activator ABCC9, KCNJ8 ATP channel activator, Potassium channel activator 6306 -20.56 cp BRD-A97730597 hexylcaine Sodium channel blocker SCN5A, SCN10A Sodium channel blocker 6319 -20.93 cp BRD-K99107520 felbamate Glutamate receptor antagonist GRIN2A, GRIN2B, GRIN3A Glutamate receptor antagonist 6320 -20.93 cp BRD-K35941380 methysergide Serotonin receptor antagonist HTR2C, HTR1B, HTR1E, HTR1F, HTR2A, HTR2B, HTR7, HTR1A, HTR1D, HTR5A, HTR6 Serotonin receptor antagonist 6330 -21.28 cp BRD-A45140972 meclocycline Bacterial 30S ribosomal subunit inhibitor Bacterial 30S ribosomal subunit inhibitor, Bacterial 50S ribosomal subunit inhibitor 6333 -21.33 cp BRD-K15567136 papaverine Phosphodiesterase inhibitor PDE10A, PDE4B, PDE5A Phosphodiesterase inhibitor 6334 -21.39 cp BRD-K09537769 NU-7026 DNA dependent protein kinase inhibitor PRKDC DNA dependent protein kinase inhibitor, MTOR inhibitor, PI3K inhibitor 6335 -21.41 cp BRD-K46435977 valaciclovir DNA polymerase inhibitor DNA polymerase inhibitor 6336 -21.41 cp BRD-K74133369 oligomycin-a ATP synthase inhibitor ATP5A1 ATP synthase inhibitor, ATPase inhibitor 6337 -21.42 cp BRD-K46678324 RHO-kinase-inhibitor-II Rho associated kinase inhibitor Rho associated kinase inhibitor 6339 -21.59 cp BRD-K79930101 GW-583340 EGFR inhibitor EGFR, ERBB2 EGFR inhibitor, ErbB2 inhibitor, Receptor tyrosine protein kinase inhibitor 6341 -21.63 cp BRD-K60460488 nelfinavir HIV protease inhibitor CYP2C19, CYP3A5, CYP3A7 HIV protease inhibitor 6345 -21.78 cp BRD-K82357231 desloratadine Histamine receptor antagonist HRH1 Histamine receptor antagonist 6347 -21.78 cp BRD-K81418486 vorinostat HDAC inhibitor HDAC1, HDAC2, HDAC3, HDAC6, HDAC8, HDAC10, HDAC11, HDAC5, HDAC9 HDAC inhibitor 6352 -21.92 cp BRD-A38749782 fludrocortisone Glucocorticoid receptor agonist NR3C2, AR, NR3C1 Glucocorticoid receptor agonist, Mineralocorticoid receptor agonist 6354 -21.93 cp BRD-K64890080 BI-2536 PLK inhibitor PLK1, BRD4, PLK2, PLK3 PLK inhibitor 6359 -22.05 cp BRD-K02283807 GR-32191 Thromboxane receptor antagonist TBXA2R Thromboxane receptor antagonist 6360 -22.08 cp BRD-K88741031 methyl-2,5-dihydroxycinnamate EGFR inhibitor EGFR EGFR inhibitor, Tyrosine kinase inhibitor 6363 -22.14 cp BRD-K82109576 vincristine Tubulin inhibitor TUBB, TUBA4A Tubulin inhibitor 6369 -22.27 cp BRD-K12079898 PD-160170 Neuropeptide receptor antagonist NPY1R Neuropeptide receptor antagonist 6372 -22.34 cp BRD-K95851186 CGP-13501 GABA receptor modulator GABBR1 GABA receptor modulator 6379 -22.58 cp BRD-A59808129 guggulsterone Cholesterol inhibitor NR1H4, PGR, AR, ESR1, IKBKB, NR1I2, NR3C1, NR3C2 Cholesterol inhibitor, Estrogen receptor agonist, FXR antagonist, IKK inhibitor, Pregnane X receptor agonist, Progesterone receptor agonist 6381 -22.63 cp BRD-K13211965 L-741742 Dopamine receptor antagonist DRD4, DRD3, SCN1A, SCN3A Dopamine receptor antagonist 6383 -22.69 cp BRD-K68246049 TTNPB Retinoid receptor agonist RARB, RARA, RARG Retinoid receptor agonist 6389 -22.84 cp BRD-K60476892 YC-1 Guanylyl cyclase activator HIF1A, GUCY1A2, GUCY1A3, GUCY1B3 Guanylyl cyclase activator 6390 -22.85 cp BRD-A93659613 GR-89696 Opioid receptor agonist OPRK1 Opioid receptor agonist 6391 -22.85 cp BRD-K48367671 febuxostat Xanthine oxidase inhibitor XDH Xanthine oxidase inhibitor 6393 -22.86 cp BRD-K59419204 AM-281 Cannabinoid receptor antagonist CNR1, CNR2, GPR55 Cannabinoid receptor antagonist 6396 -22.97 cp BRD-K33308633 INCA-6 Calcineurin inhibitor NFATC1 Calcineurin inhibitor 6397 -23 cp BRD-K01567962 pyrazolanthrone JNK inhibitor MAPK10, MAPK8, MAPK9, TTK, LRRK2, MAPK8IP1 JNK inhibitor 6399 -23.11 cp BRD-K53737926 amitriptyline Norepinephrine inhibitor CHRM1, CHRM2, CHRM3, CHRM4, CHRM5, HRH1, HTR6, SLC6A2, SLC6A4, ADRA1A, ADRA1B, ADRA1D, ADRA2A, ADRB1, ADRB2, ADRB3, HRH2, HRH4, HTR1A, HTR1B, HTR1D, HTR2A, HTR2C, HTR7, KCNA1, KCND2, KCND3, KCNQ2, KCNQ3, NTRK1, NTRK2, OPRD1, OPRK1, OPRM1, SIGMAR1 Norepinephrine inhibitor, Norepinephrine reuptake inhibitor, Serotonin receptor antagonist, Serotonin reuptake inhibitor 6400 -23.17 cp BRD-A60245366 AS-601245 JNK inhibitor GSK3B, MAPK10, MAPK8, MAPK9, PIM1 JNK inhibitor 6403 -23.21 cp BRD-K90259198 W-7 Calmodulin antagonist CALM1, CALM2, KCNA5, KCNH2, TNNC1, TNNI3 Calmodulin antagonist, Potassium channel blocker 6407 -23.37 cp BRD-K34330170 rotenonic-acid Retinoid receptor antagonist Retinoid receptor antagonist 6413 -23.7 cp BRD-K71103788 duloxetine Serotonin reuptake inhibitor SLC6A2, SLC6A4, SLC6A3, HTR2A, HTR2C, HTR6 Serotonin reuptake inhibitor, Norepinephrine reuptake inhibitor 6414 -23.74 cp BRD-K28806945 L-750667 Dopamine receptor antagonist DRD4 Dopamine receptor antagonist 6415 -23.74 cp BRD-K41160163 fenobam Glutamate receptor antagonist GRM5 Glutamate receptor antagonist 6417 -23.79 cp BRD-K92413528 thiazolidinecarboxylic-acid Reducing agent Reducing agent 6420 -23.86 cp BRD-K22503835 scriptaid HDAC inhibitor HDAC1, HDAC2, HDAC3, HDAC4, HDAC5, HDAC6, HDAC7, HDAC8, HDAC9 HDAC inhibitor 6423 -23.91 cp BRD-A63667919 methylergometrine Dopamine receptor antagonist DRD1, HTR1E, HTR1F, HTR2A, HTR2B, HTR2C Dopamine receptor antagonist, Serotonin receptor antagonist 6424 -23.94 cp BRD-K26573499 DMAB-anabaseine Adrenergic receptor agonist CHRNA7 Adrenergic receptor agonist 6429 -24.09 cp BRD-K44849676 capsazepine TRPV agonist TRPV1, TRPV4 TRPV agonist 6430 -24.12 cp BRD-K26979635 NS-3694 Glutamate receptor antagonist GRIK1 Glutamate receptor antagonist 6431 -24.17 cp BRD-K83972459 JWE-035 Aurora kinase inhibitor AURKA Aurora kinase inhibitor 6432 -24.27 cp BRD-K67537649 PQ-401 IGF-1 inhibitor IGF1R IGF-1 inhibitor, IGF-1R inhibitor 6434 -24.35 cp BRD-K43978949 PIT Purinergic receptor antagonist P2RY1 Purinergic receptor antagonist 6437 -24.5 cp BRD-K69837166 trap-101 Nociceptin/orphanin FQ (NOP) receptor antagonist OPRL1 Nociceptin/orphanin FQ (NOP) receptor antagonist, Opioid receptor antagonist 6439 -24.58 cp BRD-K71289571 zafirlukast Leukotriene receptor antagonist CYSLTR1, CYSLTR2 Leukotriene receptor antagonist 6441 -24.61 cp BRD-K35531059 molsidomine Guanylyl cyclase activator GUCY1A3 Guanylyl cyclase activator 6443 -24.65 cp BRD-K89055274 alverine Muscle relaxant HTR1A Muscle relaxant 6446 -24.7 cp BRD-A67799922 phenoxybenzamine Adrenergic receptor antagonist ADRA2B, ADRA1A, ADRA1B, ADRA1D, ADRA2A, ADRA2C, ADRB2, CALM1 Adrenergic receptor antagonist 6451 -24.82 cp BRD-K61480498 epoxycholesterol LXR agonist NR1H2, NR1H3 LXR agonist 6458 -25.07 cp BRD-K87991767 umbelliferone Cyclooxygenase inhibitor CA9, CA12, PTGS2 Cyclooxygenase inhibitor 6462 -25.19 cp BRD-K06817181 BRD-K06817181 JAK inhibitor JAK2 JAK inhibitor 6463 -25.19 cp BRD-K09764130 mead-ethanolamide Cannabinoid receptor agonist Cannabinoid receptor agonist 6471 -25.43 cp BRD-K28863208 PNU-282987 Cholinergic receptor agonist CHRNA7 Cholinergic receptor agonist 6474 -25.54 cp BRD-K96263742 GW-7647 PPAR receptor agonist PPARA PPAR receptor agonist 6476 -25.57 cp BRD-K02265150 amoxapine Norepinephrine reuptake inhibitor SLC6A2, SLC6A4, HTR2A, HTR6, ADRA1A, ADRA1B, ADRA1D, ADRA2A, ADRA2B, ADRA2C, CHRM1, CHRM2, CHRM3, CHRM4, CHRM5, DRD1, DRD2, DRD3, DRD4, GABRA1, GABRA2, GABRA3, GABRA4, GABRA5, GABRA6, GABRB1, GABRB2, GABRB3, GABRD, GABRE, GABRG1, GABRG2, GABRG3, GABRP, GABRQ, HRH1, HRH4, HTR1A, HTR1B, HTR2B, HTR2C, HTR3A, HTR7, SLC6A3 Norepinephrine reuptake inhibitor 6477 -25.58 cp BRD-K43164539 cholic-acid Bile acid CES1, FECH, PLA2G1B, ADH1C, COX4I1, COX5A, COX5B, COX6A2, COX6B1, COX6C, COX7A1, COX7B, COX7C, COX8A, ESRRG, FABP6, GPBAR1, MT-CO1, MT-CO2, MT-CO3 Bile acid 6478 -25.62 cp BRD-K96084870 DMBI PDGFR receptor inhibitor PDGFRB PDGFR receptor inhibitor, VEGFR inhibitor 6479 -25.64 cp BRD-K02590140 O-2050 Cannabinoid receptor antagonist CNR1 Cannabinoid receptor antagonist 6482 -25.72 cp BRD-K30563334 rifabutin Protein synthesis inhibitor CYP3A4, HSP90AA1, HSP90B1 Protein synthesis inhibitor 6486 -25.89 cp BRD-A68888262 azelastine Histamine receptor antagonist HRH1, CYP2C19 Histamine receptor antagonist 6490 -25.96 cp BRD-A34208323 VU-0404997-2 Glutamate receptor modulator GRM4 Glutamate receptor modulator 6492 -26.13 cp BRD-A13084692 troglitazone Insulin sensitizer PPARG, ACSL4, AKR1B1, CCL2, CYP3A4, ESRRA, ESRRG, INS, SERPINE1, SLC29A1, TRPM3 Insulin sensitizer, PPAR receptor agonist 6502 -26.47 cp BRD-A30437061 camptothecin Topoisomerase inhibitor TOP1, HIF1A Topoisomerase inhibitor 6505 -26.53 cp BRD-K45068323 W-13 Calmodulin antagonist CALM1, MYLK, PDE1A Calmodulin antagonist 6506 -26.53 cp BRD-K42221274 NNC-711 GAT inhibitor SLC6A1, SIGMAR1 GAT inhibitor 6508 -26.54 cp BRD-K83963101 MLN-8054 Aurora kinase inhibitor AURKA Aurora kinase inhibitor, Mitotic inhibitor, Protein kinase inhibitor 6509 -26.55 cp BRD-A80638690 floxuridine DNA synthesis inhibitor TYMS DNA synthesis inhibitor 6512 -26.66 cp BRD-K60690191 MPEP Glutamate receptor antagonist GRM5, GRM1, GRM4 Glutamate receptor antagonist 6513 -26.66 cp BRD-K66353228 zoxazolamine Myorelaxant Myorelaxant 6514 -26.78 cp BRD-K87049188 fusaric-acid Dopamine beta hydroxylase inhibitor DBH Dopamine beta hydroxylase inhibitor 6516 -26.93 cp BRD-K98769987 flumazenil Benzodiazepine receptor antagonist GABRA1, GABRA2, GABRA3, GABRA5, GABRA4, GABRA6, GABRB1, GABRB2, GABRB3, GABRD, GABRE, GABRG1, GABRG2, GABRG3, GABRP, GABRQ Benzodiazepine receptor antagonist 6518 -27.02 cp BRD-K79353516 indolophenanthridine CALY activator CALY, DRD1 CALY activator 6525 -27.28 cp BRD-K82135108 elesclomol Oxidative stress inducer TOP2A Oxidative stress inducer 6527 -27.31 cp BRD-A41519720 ezetimibe Niemann-Pick C1-like 1 protein antagonist NPC1L1, ANPEP, SOAT1 Niemann-Pick C1-like 1 protein antagonist, Cholesterol inhibitor 6528 -27.33 cp BRD-A61470182 n-formylmethionylalanine macrophage activator macrophage activator 6529 -27.35 cp BRD-A32164164 methyllycaconitine Acetylcholine receptor antagonist CHRNA7 Acetylcholine receptor antagonist 6532 -27.37 cp BRD-K93433262 alfacalcidol Vitamin D receptor agonist VDR, CYP27B1, CYP3A5 Vitamin D receptor agonist 6535 -27.4 cp BRD-A43671941 oxprenolol Adrenergic receptor antagonist ADRB1, ADRB2 Adrenergic receptor antagonist 6543 -27.57 cp BRD-K83794624 pirarubicin Topoisomerase inhibitor TOP2A Topoisomerase inhibitor 6545 -27.65 cp BRD-K10042277 desmethylclozapine Acetylcholine receptor agonist CHRM1, DRD2, DRD3, HTR2A Acetylcholine receptor agonist 6550 -27.82 cp BRD-K03406345 azacitidine DNA methyltransferase inhibitor DNMT1 DNA methyltransferase inhibitor 6551 -27.86 cp BRD-A26097136 bulleyaconitine-a Non-opiod analgesic Non-opiod analgesic 6558 -28.02 cp BRD-K77133231 PD-169316 p38 MAPK inhibitor ALOX5 p38 MAPK inhibitor 6561 -28.08 cp BRD-A16694057 bisphenol-a PPAR receptor antagonist AR, ESR2, ESRRG, PPARG PPAR receptor antagonist 6564 -28.12 cp BRD-K57304726 PRE-084 Sigma receptor agonist SIGMAR1 Sigma receptor agonist 6566 -28.13 cp BRD-A10303790 talampicillin Bacterial cell wall synthesis inhibitor Bacterial cell wall synthesis inhibitor 6567 -28.26 cp BRD-A61392169 eliprodil Glutamate receptor antagonist GRIN1, GRIN2B Glutamate receptor antagonist 6568 -28.31 cp BRD-K64157027 ZD-2079 Adrenergic receptor agonist ADRB3 Adrenergic receptor agonist 6571 -28.38 cp BRD-K68332390 ponalrestat Aldose reductase inhibitor AKR1B1 Aldose reductase inhibitor 6576 -28.49 cp BRD-A43930669 L-368899 Oxytocin receptor antagonist OXTR, AVPR1A, AVPR2, OXT Oxytocin receptor antagonist 6578 -28.64 cp BRD-K48935217 epothilone Microtubule inhibitor TUBA1A, TUBA1B, TUBA1C, TUBA3C, TUBA4A, TUBA8, TUBB, TUBB1, TUBB3, TUBB4A, TUBB4B Microtubule inhibitor 6579 -28.67 cp BRD-A22713669 BVT-948 Tyrosine phosphatase inhibitor PTPN1, PTPN11, PTPN2 Tyrosine phosphatase inhibitor 6580 -28.68 cp BRD-K67783091 haloperidol Dopamine receptor antagonist DRD2, DRD1, DRD3, HTR2A, CYP3A7, DRD4, DRD5, GRIN2B, HRH1, HTR1A, HTR1D, HTR2B, HTR7, KCNH1 Dopamine receptor antagonist, Psychoactive drug 6581 -28.74 cp BRD-K48115423 2-(4-methoxybenzylthio)-6-methylpyrimidin-4-ol Matrix metalloprotease inhibitor MMP13 Matrix metalloprotease inhibitor 6582 -28.78 cp BRD-A35989968 megestrol Progesterone receptor agonist PGR Progesterone receptor agonist 6595 -29.23 cp BRD-A84327315 calcitriol Vitamin D receptor agonist VDR, CYP3A5 Vitamin D receptor agonist 6598 -29.31 cp BRD-K09132007 D-4476 TGF beta receptor inhibitor CSNK1A1, CSNK1D, TGFB1 TGF beta receptor inhibitor 6603 -29.52 cp BRD-K28137194 loreclezole GABA receptor agonist GABRB2, GABRB3 GABA receptor agonist 6604 -29.53 cp BRD-A18579359 wiskostatin Neural Wiskott-Aldrich syndrome protein inhibitor WAS, WASL Neural Wiskott-Aldrich syndrome protein inhibitor 6606 -29.56 cp BRD-K14807180 SB-221284 Serotonin receptor antagonist HTR2B, HTR2C, HTR2A Serotonin receptor antagonist 6607 -29.65 cp BRD-K70358946 aripiprazole Serotonin receptor agonist DRD2, HTR1A, HTR2A, HRH1, HTR1B, HTR1D, HTR2C, ADRA1A, ADRA1B, ADRA2A, ADRA2B, ADRA2C, CHRM1, CHRM2, CHRM3, CHRM4, CHRM5, DRD1, DRD3, DRD4, DRD5, HTR1E, HTR3A, HTR6, HTR7 Serotonin receptor agonist, Serotonin receptor antagonist 6609 -29.71 cp BRD-K29359156 ebselen H+/K8-ATPase inhibitor ALB, LTB4R, NOX3 H+/K8-ATPase inhibitor, Cyclooxygenase inhibitor, Glutathione peroxidase agonist, Nitric oxide synthase inhibitor 6621 -30.27 cp BRD-K26117720 gingerol Nitric oxide synthase inhibitor Nitric oxide synthase inhibitor 6634 -30.8 cp BRD-K03842655 penitrem-a Potassium channel blocker KCNMA1 Potassium channel blocker 6638 -30.96 cp BRD-K06335600 tizanidine Adrenergic receptor agonist ADRA2A, ADRA2B, ADRA2C, CYP1A2, NISCH Adrenergic receptor agonist 6639 -31.01 cp BRD-A91699651 chloroquine Antimalarial CYP2C8, GSTA2, MRGPRX1, TLR9, TNF Antimalarial 6642 -31.14 cp BRD-K75478907 GS-39783 GABA receptor modulator GABBR1 GABA receptor modulator 6643 -31.15 cp BRD-K09485525 GANT-61 GLI antagonist DHH, IHH GLI antagonist 6647 -31.22 cp BRD-K03319035 maprotiline Norepinephrine reuptake inhibitor SLC6A2, ADRA1A, ADRA1B, ADRA1D, ADRA2A, ADRA2B, ADRA2C, CHRM1, CHRM2, CHRM3, CHRM4, CHRM5, DRD2, HRH1, HTR2A, HTR2C, HTR7 Norepinephrine reuptake inhibitor, Tricyclic antidepressant 6651 -31.41 cp BRD-A69636825 diltiazem Calcium channel blocker CACNA1C, CACNA1S, CACNA2D1, CACNG1, CYP3A5, CYP3A7, HTR3A, KCNA5 Calcium channel blocker 6658 -31.66 cp BRD-A09533288 verapamil Calcium channel blocker CACNA1C, CACNA1D, CACNA1G, CACNA1S, CACNA1A, CACNA1B, CACNA1F, CACNA1I, CACNB1, CACNB2, CACNB3, CACNB4, CYP2C8, CYP2E1, CYP3A4, CYP3A5, CYP3A7, DRD2, KCNA10, KCNA7, KCNH2, KCNJ11, NALCN, SCN5A, SLC29A4, SLC6A4 Calcium channel blocker 6659 -31.67 cp BRD-K52397688 amperozide Dopamine receptor antagonist HTR2A, DRD2, FAAH Dopamine receptor antagonist 6661 -31.68 cp BRD-K05350981 oligomycin-c ATPase inhibitor ATP5A1 ATPase inhibitor, ATP synthase inhibitor 6662 -31.7 cp BRD-K26521938 dinoprostone Prostanoid receptor agonist PTGER2, PTGER1, PTGER3, PTGER4, CATSPER1, CATSPER2, CATSPER3, CATSPER4, PTGDR, PTGDR2, PTGFR, TBXA2R Prostanoid receptor agonist 6663 -31.71 cp BRD-K08619838 tremorine Acetylcholine receptor agonist Acetylcholine receptor agonist 6664 -31.71 cp BRD-K71731651 PNU-120596 Acetylcholine receptor agonist CHRNA7 Acetylcholine receptor agonist 6668 -31.99 cp BRD-K76872913 benzanthrone Aromatic hydrocarbon derivative Aromatic hydrocarbon derivative 6675 -32.09 cp BRD-K01612348 meropenem Bacterial cell wall synthesis inhibitor Bacterial cell wall synthesis inhibitor 6682 -32.52 cp BRD-K50464341 berbamine Calmodulin antagonist CALM1 Calmodulin antagonist 6697 -33.35 cp BRD-K29653726 topiramate Carbonic anhydrase inhibitor CA2, CA4, GRIK1, CA1, CA12, CA7, CYP2C19, CYP3A4, GABRA1, GABRA2, GABRA3, GABRA4, GABRA5, GABRA6, GABRB1, GABRB2, GABRB3, GABRD, GABRE, GABRG1, GABRG2, GABRG3, GABRP, GABRQ, GRIA1, SCN1A, SCN5A Carbonic anhydrase inhibitor, Glutamate receptor antagonist, Kainate receptor antagonist 6702 -33.49 cp BRD-A05186015 bupropion Dopamine uptake inhibitor SLC6A2, SLC6A3, CHRNA3, CYP2B6 Dopamine uptake inhibitor 6703 -33.52 cp BRD-K47693913 evoxine Furoquinoline alkaloid Furoquinoline alkaloid 6705 -33.56 cp BRD-K77390737 xanthohumol ATPase inhibitor CYP19A1, VCP ATPase inhibitor 6710 -33.79 cp BRD-K62996583 lidoflazine Calcium channel blocker SCN1A, SCN3A, SLC29A1 Calcium channel blocker 6716 -33.87 cp BRD-K22631935 neurodazine Neurogenesis of non-pluripotent C2C12 myoblast inducer Neurogenesis of non-pluripotent C2C12 myoblast inducer 6719 -33.94 cp BRD-K21350491 phenamil TRPV antagonist PKD2L1 TRPV antagonist 6722 -34.05 cp BRD-K25186396 tangeritin Cell cycle inhibitor Cell cycle inhibitor 6725 -34.11 cp BRD-K36009368 NNC-63-0532 Opioid receptor agonist OPRL1 Opioid receptor agonist 6727 -34.14 cp BRD-K83010055 VU-0415374-1 Glutamate receptor modulator GRM4 Glutamate receptor modulator 6728 -34.18 cp BRD-K57886322 fluocinonide Glucocorticoid receptor agonist NR3C1, SERPINA6, SMO Glucocorticoid receptor agonist 6729 -34.2 cp BRD-A65449987 flunisolide Cytochrome P450 inhibitor NR3C1 Cytochrome P450 inhibitor 6740 -34.64 cp BRD-K05395900 nicotine Acetylcholine receptor agonist CHRNA10, CHRNA9, AOX1, CHAT, CHRNA2, CHRNA3, CHRNA4, CHRNA5, CHRNA6, CHRNA7, CHRNB2, CHRNB3, CHRNB4, CYP19A1, CYP2B6, TBXAS1, TRPA1 Acetylcholine receptor agonist 6754 -35.54 cp BRD-K60219430 serdemetan MDM inhibitor MDM2 MDM inhibitor 6757 -35.65 cp BRD-A02713983 dihydrodeoxygedunin Growth factor receptor activator NTRK2 Growth factor receptor activator 6758 -35.66 cp BRD-K78692225 leflunomide Dihydroorotate dehydrogenase inhibitor DHODH, AHR, CYP2C19, JAK3, PTK2B, STAT6 Dihydroorotate dehydrogenase inhibitor, PDGFR receptor inhibitor 6759 -35.66 cp BRD-K68103045 CGS-20625 Benzodiazepine receptor agonist GABRA1, GABRA2, GABRA3, GABRA5 Benzodiazepine receptor agonist, GABA benzodiazepine site receptor partial agonist 6761 -35.67 cp BRD-A65671304 candesartan Angiotensin receptor antagonist AGTR1, AGTR2 Angiotensin receptor antagonist 6762 -35.73 cp BRD-K00615600 AG-14361 PARP inhibitor PARP1 PARP inhibitor 6766 -35.87 cp BRD-K83302049 protopine Histamine receptor antagonist ACHE, SLC6A2, SLC6A4 Histamine receptor antagonist 6767 -35.92 cp BRD-A81177136 KN-62 Calcium-calmodulin dependent protein kinase inhibitor AKT1, CAMK2A, CHEK1, LCK, MAPK1, MAPK11, MAPK12, MAPK14, MAPK8, P2RX7, PRKCA, ROCK1, RPS6KB1, SGK1 Calcium-calmodulin dependent protein kinase inhibitor, Purinergic receptor antagonist 6768 -36.04 cp BRD-K29905972 axitinib PDGFR receptor inhibitor KDR, FLT1, FLT4, CSF1, CYP2C19, CYP3A5, KIT, PDGFRB, PLK4 PDGFR receptor inhibitor, VEGFR inhibitor 6772 -36.16 cp BRD-K92758126 gibberellic-acid NFkB pathway inhibitor AADACL2 NFkB pathway inhibitor 6778 -36.35 cp BRD-K35559145 levomepromazine Dopamine receptor antagonist ADRA1A, ADRA1B, ADRA1D, ADRA2A, ADRA2B, ADRA2C, CHRM1, CHRM2, CHRM3, CHRM4, CHRM5, DRD1, DRD2, DRD3, DRD4, DRD5, HRH1, HTR2A, HTR2C Dopamine receptor antagonist 6789 -36.7 cp BRD-A75769826 SDM25N Opioid receptor antagonist OPRD1 Opioid receptor antagonist 6791 -36.78 cp BRD-K23922020 arecaidine Acetylcholine receptor agonist CHRM1, CHRM2, CHRM3, CHRM4 Acetylcholine receptor agonist 6792 -36.85 cp BRD-A83431637 resmethrin Cytochrome P450 inhibitor Cytochrome P450 inhibitor 6797 -36.97 cp BRD-A39255369 DCPIB Chloride channel blocker SLC1A2 Chloride channel blocker, Gap junction modulator, Glutamate inhibitor 6800 -37.09 cp BRD-K85503079 perospirone Dopamine receptor antagonist DRD2, HTR2A, DRD3, DRD4, HTR2C Dopamine receptor antagonist, Serotonin receptor antagonist 6801 -37.1 cp BRD-K84996949 sinensetin Cyclooxygenase inhibitor Cyclooxygenase inhibitor 6806 -37.25 cp BRD-A55815733 phylloquinone Vitamin K BGLAP, GGCX Vitamin K, Gamma carboxylase enzyme 6810 -37.43 cp BRD-A97674275 ranolazine Sodium channel blocker SCN9A, SCN10A, SCN5A, SLC22A2 Sodium channel blocker 6812 -37.46 cp BRD-K91733562 secoisolariciresinol Antioxidant Antioxidant 6813 -37.53 cp BRD-K71823332 epothilone-a Microtubule stabilizing agent Microtubule stabilizing agent 6816 -37.58 cp BRD-A92177080 betamethasone Glucocorticoid receptor agonist NR3C1 Glucocorticoid receptor agonist 6820 -37.67 cp BRD-K96119599 leucodin Melanin inhibitor Melanin inhibitor 6821 -37.7 cp BRD-K27305650 LY-294002 MTOR inhibitor MTOR, PIK3CD, PIK3CG, PIK3CA, PIK3CB, PLK1, PRKDC, AKT1, CHEK1, GSK3B, LCK, MAPK1, MAPK11, MAPK12, MAPK14, MAPK8, PDE2A, PRKCA, ROCK1, RPS6KB1, SGK1 MTOR inhibitor, PI3K inhibitor, DNA dependent protein kinase inhibitor, Phosphodiesterase inhibitor, PLK inhibitor 6826 -37.86 cp BRD-K91601245 mercaptopurine Immunosuppressant HPRT1, IMPDH1, IMPDH2, PPAT Immunosuppressant, Protein synthesis inhibitor, Purine antagonist 6827 -37.92 cp BRD-A52660433 tetrindole Monoamine oxidase inhibitor MAOA Monoamine oxidase inhibitor 6830 -38 cp BRD-K47936004 piribedil Dopamine receptor agonist DRD2, DRD3, ADRA1A, ADRA2A, ADRA2C, DRD4, HTR1A, HTR2B Dopamine receptor agonist 6831 -38.05 cp BRD-K11399644 phenformin AMPK activator KCNJ8, PRKAA1 AMPK activator 6832 -38.06 cp BRD-K99946902 hexylresorcinol Local anesthetic TYR Local anesthetic 6834 -38.15 cp BRD-K99029477 prometon Photosynthesis inhibitor Photosynthesis inhibitor 6843 -38.49 cp BRD-K05104363 PD-184352 MEK inhibitor MAP2K1, MAP2K2, MAP3K1, MAP3K2 MEK inhibitor 6845 -38.59 cp BRD-K27665173 D-64406 PDGFR receptor inhibitor FLT3, PDGFRA, PDGFRB PDGFR receptor inhibitor 6847 -38.66 cp BRD-K37991163 paroxetine Selective serotonin reuptake inhibitor (SSRI) SLC6A4, CHRM1, CHRM2, CHRM3, CHRM4, CHRM5, HTR2A, SLC6A2 Selective serotonin reuptake inhibitor (SSRI) 6849 -38.82 cp BRD-A26095496 clobetasol Glucocorticoid receptor agonist NR3C1, PLA2G1B Glucocorticoid receptor agonist 6850 -38.83 cp BRD-A32836748 leu-enkephalin Opioid receptor agonist OPRD1, OPRM1 Opioid receptor agonist 6851 -38.85 cp BRD-K39339537 epirizole Cyclooxygenase inhibitor PTGS1, PTGS2 Cyclooxygenase inhibitor 6857 -39.21 cp BRD-A56675431 altizide Thiazide diuretic Thiazide diuretic 6861 -39.34 cp BRD-A41722204 sulmazole Adenosine receptor antagonist Adenosine receptor antagonist 6867 -39.54 cp BRD-K14282469 LY-165163 Serotonin receptor antagonist HTR1A, HTR1D Serotonin receptor antagonist 6871 -39.63 cp BRD-K81916719 triclabendazole Microtubule inhibitor DNMT1 Microtubule inhibitor 6875 -39.72 cp BRD-A89337244 PD-102807 Acetylcholine receptor antagonist CHRM4 Acetylcholine receptor antagonist 6877 -39.75 cp BRD-K82688027 RG-13022 PDGFR receptor inhibitor EGFR, PDGFRA, PDGFRB PDGFR receptor inhibitor 6881 -39.88 cp BRD-U33728988 QL-X-138 MTOR inhibitor BTK, JAK3, MKNK2, MTOR, PRKDC MTOR inhibitor 6886 -40.05 cp BRD-K31699485 DMEOB glutamate receptor modulator glutamate receptor modulator 6887 -40.09 cp BRD-A22380646 pantoprazole ATPase inhibitor ATP4A, CYP2C19, CYP3A4 ATPase inhibitor 6888 -40.13 cp BRD-K18816859 L-694247 Serotonin receptor agonist HTR1D, HTR1A, HTR1B Serotonin receptor agonist 6893 -40.38 cp BRD-K46556543 canrenoic-acid Mineralocorticoid receptor antagonist Mineralocorticoid receptor antagonist 6896 -40.42 cp BRD-K35240538 methylprednisolone Glucocorticoid receptor agonist NR3C1 Glucocorticoid receptor agonist 6897 -40.42 cp BRD-K93461745 buspirone Serotonin receptor agonist HTR1A, DRD2 Serotonin receptor agonist 6900 -40.45 cp BRD-K32330832 VER-155008 HSP inhibitor HSPA1A HSP inhibitor 6909 -40.87 cp BRD-A82238138 budesonide Glucocorticoid receptor agonist NR3C1, CYP3A5, CYP3A7 Glucocorticoid receptor agonist 6912 -41.1 cp BRD-K72024482 MRS-1754 Adenosine receptor antagonist ADORA2B, ADORA1, ADORA2A, ADORA3 Adenosine receptor antagonist 6926 -41.49 cp BRD-A65550283 ginsenoside Steroid hormone receptor agonist Steroid hormone receptor agonist 6927 -41.49 cp BRD-A26334849 propafenone Antiarrhythmic KCNH2, SCN5A, ADRB1, ADRB2, KCNA5, KCNK2, KCNK3 Antiarrhythmic 6928 -41.58 cp BRD-K02130563 panobinostat HDAC inhibitor HDAC1, HDAC2, HDAC3, HDAC4, HDAC6, HDAC7, HDAC8, HDAC9 HDAC inhibitor 6929 -41.62 cp BRD-K95921201 reserpine Vesicular monoamine transporter inhibitor SLC18A2, SLC18A1 Vesicular monoamine transporter inhibitor 6930 -41.65 cp BRD-K63430059 methoxsalen DNA synthesis inhibitor ACHE, CYP1A2 DNA synthesis inhibitor 6931 -41.75 cp BRD-A01295252 trans-7-hydroxy-pipat Dopamine receptor ligand Dopamine receptor ligand 6935 -41.82 cp BRD-K52989797 clomipramine Serotonin transporter inhibitor (SERT) SLC6A4, SLC6A2, CYP2C19, GSTP1, HTR2A, HTR2B, HTR2C, SLC6A3 Serotonin transporter inhibitor (SERT) 6937 -41.85 cp BRD-K16621777 enobosarm Androgen receptor modulator AR Androgen receptor modulator 6938 -41.87 cp BRD-K13087974 4,5-dianilinophthalimide EGFR inhibitor EGFR EGFR inhibitor 6939 -41.98 cp BRD-K46742498 alosetron Serotonin receptor antagonist HTR3A Serotonin receptor antagonist 6940 -42 cp BRD-K67831364 ZM-323881 VEGFR inhibitor KDR VEGFR inhibitor 6941 -42.05 cp BRD-K55703048 latrepirdine Glutamate receptor antagonist HTR6, GRIN2B, HRH1 Glutamate receptor antagonist 6944 -42.1 cp BRD-K52459643 prostaglandin-e1 Prostanoid receptor agonist PTGER1, PTGER2, CATSPER1, CATSPER2, CATSPER3, CATSPER4, PTGDR, PTGER4, PTGIR Prostanoid receptor agonist 6945 -42.13 cp BRD-K03670461 tyrphostin-AG-82 EGFR inhibitor EGFR, LCK EGFR inhibitor 6947 -42.27 cp BRD-A31159102 fluoxetine Selective serotonin reuptake inhibitor (SSRI) SLC6A4, ANO1, CYP2C19, HTR2B Selective serotonin reuptake inhibitor (SSRI) 6950 -42.36 cp BRD-A67373739 AICA-ribonucleotide AMPK activator ATIC, PRKAA1 AMPK activator 6953 -42.66 cp BRD-K17896185 FIT Opioid receptor agonist OPRD1 Opioid receptor agonist 6960 -43.06 cp BRD-K25741894 skimmianine Acetylcholinesterase inhibitor Acetylcholinesterase inhibitor, Furoquinoline alkaloid 6963 -43.28 cp BRD-A82590476 SDZ-NKT-343 Tachykinin antagonist TACR1 Tachykinin antagonist 6964 -43.33 cp BRD-A35519318 benidipine Calcium channel blocker CACNA1C, CACNA1G, CYP3A5 Calcium channel blocker 6972 -43.81 cp BRD-A02759312 betaxolol Adrenergic receptor antagonist ADRB1, ADRB2 Adrenergic receptor antagonist 6975 -43.91 cp BRD-K00959089 thenoyltrifluoroacetone Chelating agent CES1, PPARA, SDHA Chelating agent 6977 -43.95 cp BRD-K33193182 methylnorlichexanthone Aurora kinase inhibitor AURKB, KDR, PIM1 Aurora kinase inhibitor, PIM inhibitor, VEGFR inhibitor 6978 -43.96 cp BRD-K71035033 masitinib KIT inhibitor KIT, FGFR3, LYN, PDGFRA, PDGFRB KIT inhibitor, PDGFR receptor inhibitor, SRC inhibitor 6984 -44.19 cp BRD-A81233518 glycopyrrolate Acetylcholine receptor antagonist CHRM1, CHRM3, CHRM2, CHRM4, CHRM5 Acetylcholine receptor antagonist 6985 -44.21 cp BRD-K28912512 nicotinamide Protein synthesis stimulant PARP1, AOX1, BST1, CYP2E1, LDHA, SIRT5 Protein synthesis stimulant 6988 -44.31 cp BRD-A87387433 cefpodoxime Bacterial cell wall synthesis inhibitor Bacterial cell wall synthesis inhibitor 6990 -44.46 cp BRD-A34205397 suloctidil Adrenergic receptor antagonist Adrenergic receptor antagonist 6991 -44.49 cp BRD-K28168037 fenretinide Apoptosis stimulant CYP2C8, CYP3A5, RARA, RARG Apoptosis stimulant, Retinoid receptor agonist 6992 -44.55 cp BRD-K76907295 VU-0418947-2 HIF modulator HIF modulator 6993 -44.55 cp BRD-A42571354 cetirizine Histamine receptor antagonist HRH1 Histamine receptor antagonist 6995 -44.69 cp BRD-K55430733 WAY-629 Serotonin receptor agonist HTR2C Serotonin receptor agonist 6998 -44.73 cp BRD-K66766661 17-beta-estradiol Estrogen receptor agonist ESR1 Estrogen receptor agonist 6999 -44.79 cp BRD-K53959060 indirubin CDK inhibitor CDK1, CDK5, CCNE1, CDK2, CDK4, CDK5R1, CDK9, GSK3A, GSK3B, LCK, LRRK1, LRRK2 CDK inhibitor, Glycogen synthase kinase inhibitor, Leucine rich repeat kinase inhibitor, SRC inhibitor, Serum/glucocorticoid regulated kinase inhibitor 7001 -44.97 cp BRD-K28578425 cilostamide Phosphodiesterase inhibitor PDE3A, PDE3B Phosphodiesterase inhibitor 7007 -45.14 cp BRD-K17561142 amiodarone Potassium channel blocker KCNH2, ADRB1, CACNA1H, CACNA2D2, CHRM3, CYP2C8, KCNA7, SCN5A Potassium channel blocker 7012 -45.22 cp BRD-K16485616 mocetinostat HDAC inhibitor HDAC1, HDAC2, HDAC3, HDAC11 HDAC inhibitor 7013 -45.26 cp BRD-K00184207 GR-206 Aryl hydrocarbon receptor ligand Aryl hydrocarbon receptor ligand 7018 -45.43 cp BRD-K14221570 benzopurpurin-4b HIV entry inhibitor HIV entry inhibitor 7023 -45.57 cp BRD-A74500471 ethambutol Bacterial cell wall synthesis inhibitor Bacterial cell wall synthesis inhibitor 7024 -45.59 cp BRD-K50140147 NVP-TAE684 ALK inhibitor ALK, INSR ALK inhibitor 7029 -45.78 cp BRD-K33396764 alpha-linolenic-acid Omega 3 fatty acid stimulant ELOVL4, FADS1, FADS2, FFAR1, FFAR4, PTGS2, SLC8A1, TRPV1 Omega 3 fatty acid stimulant 7030 -45.8 cp BRD-K91696562 orantinib FGFR inhibitor PDGFRB, AURKA, AURKB, KDR, EGFR, FGFR1, FGFR2, PDGFRA, TBK1 FGFR inhibitor, VEGFR inhibitor, PDGFR receptor inhibitor 7032 -45.88 cp BRD-A26032986 zaldaride Calmodulin antagonist CALM1 Calmodulin antagonist 7033 -45.97 cp BRD-K90524085 MY-5445 Phosphodiesterase inhibitor PDE5A Phosphodiesterase inhibitor, Platelet aggregation inhibitor 7042 -46.35 cp BRD-K22662435 ganciclovir DNA polymerase inhibitor DNA polymerase inhibitor 7047 -46.62 cp BRD-K78633253 EXO-1 ARF inhibitor ARF inhibitor 7049 -46.69 cp BRD-A12016240 LY-278584 Serotonin receptor antagonist HTR3A Serotonin receptor antagonist 7053 -46.8 cp BRD-K62289640 lylamine Cannabinoid receptor agonist CNR1 Cannabinoid receptor agonist 7054 -46.93 cp BRD-A71262238 nafadotride Dopamine receptor antagonist DRD3, DRD2, HTR1A Dopamine receptor antagonist 7057 -47.01 cp BRD-A31801025 formestane Aromatase inhibitor CYP19A1 Aromatase inhibitor 7063 -47.2 cp BRD-A79465854 auranofin NFkB pathway inhibitor IKBKB, PRDX5, TRPA1, TXNRD1, TXNRD2 NFkB pathway inhibitor 7065 -47.24 cp BRD-K48735772 PD-158780 EGFR inhibitor EGFR EGFR inhibitor 7066 -47.24 cp BRD-K37194137 III606050 Cytochrome P450 inhibitor Cytochrome P450 inhibitor 7067 -47.27 cp BRD-K43405658 tyrphostin-AG-527 Protein tyrosine kinase inhibitor EGFR Protein tyrosine kinase inhibitor 7070 -47.68 cp BRD-A10070317 propranolol Adrenergic receptor antagonist ADRB2, ADRB3, ADRB1, CYP2C19, HTR1A, HTR1B Adrenergic receptor antagonist 7075 -47.85 cp BRD-A73680854 PT-630 Dipeptidyl peptidase inhibitor DPP4, FAP Dipeptidyl peptidase inhibitor 7079 -48.05 cp BRD-K43764301 dexketoprofen Cyclooxygenase inhibitor CXCR1, PTGS1, PTGS2, SLC5A8 Cyclooxygenase inhibitor 7080 -48.06 cp BRD-A29289453 PCA-4248 Platelet activating factor receptor antagonist PTAFR Platelet activating factor receptor antagonist 7081 -48.13 cp BRD-K34014345 naproxol Anti-inflammatory PTGS1, PTGS2 Anti-inflammatory 7082 -48.19 cp BRD-A23359898 sibutramine Serotonin reuptake inhibitor SLC6A2, SLC6A4, SLC6A3, CYP2B6, CYP2C19, CYP3A5 Serotonin reuptake inhibitor 7085 -48.28 cp BRD-K76304753 phenazopyridine Local anesthetic SCN1A Local anesthetic 7086 -48.34 cp BRD-K30867024 SB-216641 Serotonin receptor antagonist HTR1B, HTR1D, HTR1A, HTR2A, HTR2B, HTR2C Serotonin receptor antagonist 7088 -48.37 cp BRD-K43330982 JTE-013 Lysophospholipid receptor antagonist S1PR2, P2RY10 Lysophospholipid receptor antagonist 7089 -48.42 cp BRD-K16336526 capsaicin TRPV agonist TRPV1, CFTR, ENOX2 TRPV agonist 7092 -48.58 cp BRD-K29178788 dictamnine Furoquinoline alkaloid Furoquinoline alkaloid 7097 -48.8 cp BRD-A39390670 rabeprazole ATPase inhibitor ATP4A, CYP2C19 ATPase inhibitor, Gastrin inhibitor 7098 -48.85 cp BRD-K92138166 mammea-a other antibiotic other antibiotic 7101 -49.01 cp BRD-K56700933 phenethyl-isothiocyanate Antineoplastic CYP2E1 Antineoplastic 7103 -49.15 cp BRD-K40902647 vincamine Adrenergic receptor antagonist CHRM1, CHRM2, CHRM3, CHRM4 Adrenergic receptor antagonist 7104 -49.19 cp BRD-K44497846 enalapril ACE inhibitor ACE ACE inhibitor 7107 -49.29 cp BRD-K59851896 calycanthine GABA release inhibitor GABA release inhibitor 7111 -49.35 cp BRD-K41731458 triclosan Enoyl-+AFs-acyl-carrier-protein+AF0- reductase +AFs-NADH+AF0- inhibitor DNMT1 Enoyl-+AFs-acyl-carrier-protein+AF0- reductase +AFs-NADH+AF0- inhibitor 7113 -49.36 cp BRD-K52522949 NCH-51 HDAC inhibitor HDAC1, HDAC10, HDAC11, HDAC2, HDAC3, HDAC4, HDAC5, HDAC6, HDAC7, HDAC8, HDAC9 HDAC inhibitor 7114 -49.37 cp BRD-A93424738 dexamethasone Glucocorticoid receptor agonist ANXA1, CYP3A4, CYP3A5, NOS2, NR0B1, NR3C1, NR3C2 Glucocorticoid receptor agonist, Cytochrome P450 inhibitor, Glucocorticoid receptor modulator, Corticosteroid agonist 7116 -49.46 cp BRD-K70883034 nimetazepam GABA receptor agonist GABRA1, GABRA2, GABRA3, GABRA5 GABA receptor agonist 7118 -49.57 cp BRD-K97564742 mepyramine Histamine receptor antagonist HRH1 Histamine receptor antagonist 7122 -49.67 cp BRD-K19605405 ZM-241385 Adenosine receptor antagonist ADORA2A, ADORA2B, ADORA1, ADORA3 Adenosine receptor antagonist 7124 -49.91 cp BRD-K66615216 moxifloxacin Bacterial DNA gyrase inhibitor TOP2A Bacterial DNA gyrase inhibitor 7130 -50.2 cp BRD-K92984783 melperone Serotonin receptor antagonist DRD2, HTR1A, HTR2A Serotonin receptor antagonist, Dopamine receptor antagonist 7134 -50.49 cp BRD-K99696746 fatostatin SREBP inhibitor SREBF1, SREBF2 SREBP inhibitor 7142 -50.85 cp BRD-K84709232 caffeic-acid Lipoxygenase inhibitor ALOX5, MIF, RELA, TNF Lipoxygenase inhibitor, HIV integrase inhibitor, NFkB pathway inhibitor, Nitric oxide production inhibitor, PPAR receptor modulator, TNF production inhibitor, Tumor necrosis factor production inhibitor 7144 -50.87 cp BRD-K18523449 mestanolone Androgenic steroid Androgenic steroid 7151 -51.29 cp BRD-K28667196 fillalbin Increases arterial blood pressure Increases arterial blood pressure 7159 -51.48 cp BRD-K10573841 tunicamycin GLCNAC phosphotransferase inhibitor GNPTAB GLCNAC phosphotransferase inhibitor 7160 -51.53 cp BRD-K33882852 ZK-93423 Benzodiazepine receptor agonist GABRA1, GABRA2, GABRA3, GABRA5, GABRB2, GABRG2 Benzodiazepine receptor agonist 7161 -51.54 cp BRD-A26002865 verrucarin-a Protein synthesis inhibitor Protein synthesis inhibitor 7163 -51.55 cp BRD-K21806131 tegaserod Serotonin receptor partial agonist HTR4, HTR2B, HTR2A, HTR2C Serotonin receptor partial agonist 7165 -51.7 cp BRD-K22878149 SB-205607 Delta 1 opioid receptor agonist OPRD1, OPRK1, OPRM1 Delta 1 opioid receptor agonist 7166 -51.71 cp BRD-K65285700 BRD-K65285700 Cannabinoid receptor agonist CNR2 Cannabinoid receptor agonist 7170 -51.83 cp BRD-K98548675 parthenolide NFkB pathway inhibitor ADIPOR2, IKBKB, RELA NFkB pathway inhibitor, Adiponectin receptor agonist 7171 -51.84 cp BRD-A37347161 BRL-52537 Opioid receptor agonist OPRK1 Opioid receptor agonist 7173 -51.91 cp BRD-A55594068 vinblastine Microtubule inhibitor TUBB, JUN, TUBA1A, TUBD1, TUBE1, TUBG1 Microtubule inhibitor, Tubulin inhibitor 7175 -51.94 cp BRD-K70511574 sunitinib PLK inhibitor FLT3, KDR, KIT, FLT4, FLT1, PDGFRA, PDGFRB, RET, CSF1R, FGFR1 PLK inhibitor 7185 -52.2 cp BRD-K62810658 PD-98059 MEK inhibitor MAP2K1, AKT1, CHEK1, GSK3B, LCK, MAP2K2, MAPK1, MAPK11, MAPK12, MAPK14, MAPK3, MAPK8, PRKCA, RAF1, ROCK1, RPS6KB1, SGK1 MEK inhibitor, MAP kinase inhibitor 7186 -52.23 cp BRD-A96485169 EBPC Aldose reductase inhibitor AKR1B1 Aldose reductase inhibitor 7189 -52.29 cp BRD-K46766488 S-14506 Serotonin receptor agonist HTR1A, DRD2, HTR2C Serotonin receptor agonist 7190 -52.36 cp BRD-K87510569 RS-504393 CC chemokine receptor antagonist CCR2, CCL2 CC chemokine receptor antagonist 7191 -52.38 cp BRD-A68723818 brompheniramine Histamine receptor antagonist HRH1, CHRM1, CHRM2, CHRM3, CHRM4, CHRM5 Histamine receptor antagonist 7195 -52.62 cp BRD-K99063460 didanosine Nucleoside reverse transcriptase inhibitor PNP Nucleoside reverse transcriptase inhibitor 7198 -52.72 cp BRD-K99545815 PF-562271 Focal adhesion kinase inhibitor PTK2, PTK2B Focal adhesion kinase inhibitor 7201 -52.79 cp BRD-K13390322 AT-7519 CDK inhibitor CDK2, CDK5, CDK1, CDK4, CDK6, CDK9 CDK inhibitor, Cell cycle inhibitor 7202 -52.83 cp BRD-K18787491 U-0126 MEK inhibitor AKT1, CHEK1, GSK3B, JAK2, LCK, MAP2K1, MAP2K2, MAP2K7, MAPK1, MAPK11, MAPK12, MAPK14, MAPK8, PRKCA, RAF1, ROCK1, RPS6KB1, SGK1 MEK inhibitor 7203 -52.91 cp BRD-K92000912 AM-251 Cannabinoid receptor antagonist CNR1, GPR18, GPR55 Cannabinoid receptor antagonist 7204 -52.93 cp BRD-A09539288 homatropine Acetylcholine receptor antagonist CES1, CHRM1 Acetylcholine receptor antagonist 7206 -52.96 cp BRD-K24538644 KUC104502N -666 OPRK1 -666 7213 -53.19 cp BRD-A67748489 K3644 Kinesin-like spindle protein inhibitor KIF11 Kinesin-like spindle protein inhibitor 7220 -53.41 cp BRD-K27721098 clopidogrel Purinergic receptor antagonist P2RY12, CYP2B6, CYP2C19, CYP3A5 Purinergic receptor antagonist 7222 -53.44 cp BRD-A28422058 L-689560 Glutamate receptor antagonist GRIN1, GRIN2A, GRIN2B, GRIN2C, GRIN2D Glutamate receptor antagonist 7224 -53.53 cp BRD-A09062839 amylocaine Local anesthetic Local anesthetic 7226 -53.63 cp BRD-K49456190 prima-1-met thioredoxin inhibitor TP53 thioredoxin inhibitor 7230 -53.71 cp BRD-K63265447 docetaxel Tubulin inhibitor TUBB, BCL2, MAP2, MAP4, MAPT, NR1I2, TUBB1 Tubulin inhibitor 7233 -53.91 cp BRD-K79404599 enzastaurin PKC inhibitor PRKCB, AKT1, GSK3B, PRKCA, PRKCD, PRKCG PKC inhibitor 7234 -53.92 cp BRD-K84175871 pseudoephedrine Adrenergic receptor agonist ADRA1A, ADRA2A, ADRB1, ADRB2, ATF1, ATF2, ATF3, ATF4, ATF5, ATF6, ATF7, CXCL8, FOS, HRH1, IL2, JDP2, JUN, NFATC1, SLC6A2, SLC6A3, SLC6A4, TNF Adrenergic receptor agonist 7241 -54.22 cp BRD-K84141129 VU-0400193-3 Glutamate receptor modulator GRM4 Glutamate receptor modulator 7248 -54.43 cp BRD-A04327189 synephrine Adrenergic receptor agonist ADRA1A Adrenergic receptor agonist 7256 -54.62 cp BRD-K38903228 hesperidin Flavanone glycoside CACNA1B Flavanone glycoside 7257 -54.66 cp BRD-K80639402 SB-258585 Serotonin receptor antagonist HTR6 Serotonin receptor antagonist 7258 -54.7 cp BRD-K43736954 cortisone Glucocorticoid receptor agonist NR3C1 Glucocorticoid receptor agonist 7261 -54.74 cp BRD-A31227688 kynuramine Aryl hydrocarbon receptor activator Aryl hydrocarbon receptor activator 7262 -54.75 cp BRD-A80641450 FR-139317 Endothelin receptor antagonist EDNRA Endothelin receptor antagonist 7265 -54.98 cp BRD-A25569250 KI-16425 Lysophosphatidic acid receptor antagonist LPAR1, LPAR3 Lysophosphatidic acid receptor antagonist 7272 -55.42 cp BRD-K88625236 nonoxynol-9 Membrane integrity inhibitor Membrane integrity inhibitor 7275 -55.58 cp BRD-A90311807 cilastatin Dehydropeptidase inhibitor DPEP1 Dehydropeptidase inhibitor 7277 -55.64 cp BRD-K53263234 CITCO CAR agonist NR1I3 CAR agonist 7280 -55.77 cp BRD-K25504083 cytochalasin-d Actin polymerization inhibitor ACTB Actin polymerization inhibitor 7286 -56.13 cp BRD-K04923131 GSK-3-inhibitor-IX Glycogen synthase kinase inhibitor ALOX5, GSK3A, GSK3B Glycogen synthase kinase inhibitor, Lipoxygenase inhibitor 7287 -56.18 cp BRD-K29673530 hypericin Tyrosine kinase inhibitor Tyrosine kinase inhibitor 7288 -56.23 cp BRD-K93325701 damnacanthal SRC inhibitor SRC inhibitor 7293 -56.42 cp BRD-K94689771 pinocembrin CYP1B1 inhibitor AR, CYP1B1, SRD5A1, SRD5A2 CYP1B1 inhibitor 7294 -56.48 cp BRD-K45330754 diethylstilbestrol Estrogen receptor agonist ESR1, ESR2, ESRRG, ESRRB Estrogen receptor agonist 7297 -56.72 cp BRD-K46862739 metyrapone Cytochrome P450 inhibitor CYP11B1, HSD11B1, NR3C2 Cytochrome P450 inhibitor 7298 -56.74 cp BRD-K32398298 alprazolam Benzodiazepine receptor agonist GABRA1, GABRA2, GABRA3, GABRA5, CYP3A5, GABRA4, GABRA6, GABRB1, GABRB2, GABRB3, GABRD, GABRE, GABRG1, GABRG2, GABRG3, GABRP, GABRQ Benzodiazepine receptor agonist 7300 -56.75 cp BRD-A30590053 MR-16728 Acetylcholine release enhancer Acetylcholine release enhancer, Acetylcholine release stimulant 7316 -57.42 cp BRD-A47144777 dihydro-7-desacetyldeoxygedunin HSP inhibitor HSP90AA1 HSP inhibitor 7317 -57.43 cp BRD-K70327191 benzoxiquine Anti-infective Anti-infective 7327 -58.05 cp BRD-K54411430 robustic-acid cAMP inhibitor cAMP inhibitor 7329 -58.08 cp BRD-K86873305 piperacillin Bacterial cell wall synthesis inhibitor Bacterial cell wall synthesis inhibitor 7330 -58.27 cp BRD-K27737647 H-89 PKA inhibitor PRKACA, GSG2, KCNA2, KCNA3, KCNA5, KCNAB2, KCNC1, KCNC2, KCNC3, KCNE1, KCNE2, KCNE3, KCNE4, KCNH1, KCNH2, KCNQ1, KCNQ2, KCNQ3, KCNQ5, KCNS3, PKIA PKA inhibitor 7332 -58.33 cp BRD-K49027941 PSB-1115 Adenosine receptor antagonist ADORA2B, ADORA1, ADORA3 Adenosine receptor antagonist 7335 -58.34 cp BRD-A67605442 tetrahydrobiopterin Nitric oxide stimulant PAH, TH, DBH, NOS3, TPH1 Nitric oxide stimulant, Nitric oxide synthase stimulant, Phenylalanine 4-hydroxylase stimulant 7342 -58.82 cp BRD-K82091397 SB-239063 p38 MAPK inhibitor MAPK11, MAPK14, PTGS2, TNF p38 MAPK inhibitor 7343 -58.82 cp BRD-A07765530 epinephrine carbonic anhydrase activator ADRA1A, ADRA1B, ADRA1D, ADRA2A, ADRA2B, ADRA2C, ADRB1, ADRB2, ADRB3, PAH, TNF carbonic anhydrase activator 7355 -59.34 cp BRD-K56614220 clofazimine GK0582 inhibitor GK0582 inhibitor 7357 -59.4 cp BRD-A84174393 meloxicam Cyclooxygenase inhibitor PTGS2, PTGS1 Cyclooxygenase inhibitor 7358 -59.41 cp BRD-A33833419 TER-14687 Inhibitor of translocation of PKCq in T cells PRKCQ Inhibitor of translocation of PKCq in T cells 7362 -59.58 cp BRD-K53123955 niridazole Phosphofructokinase inhibitor Phosphofructokinase inhibitor 7364 -59.63 cp BRD-A73859745 glycodeoxycholic-acid Apoptosis stimulant Apoptosis stimulant 7365 -59.75 cp BRD-K95739795 tetrabenazine Vesicular monoamine transporter inhibitor SLC18A2, DRD2, SLC18A1 Vesicular monoamine transporter inhibitor 7366 -59.77 cp BRD-K97309399 thiothixene Dopamine receptor antagonist HTR2A, DRD1, DRD2, HRH1 Dopamine receptor antagonist 7367 -59.82 cp BRD-K00206590 P-1075 ATP channel activator KCNJ8 ATP channel activator, Potassium channel activator 7368 -59.86 cp BRD-K63516691 T-0156 Phosphodiesterase inhibitor PDE5A Phosphodiesterase inhibitor 7369 -59.92 cp BRD-K51485625 ritonavir HIV protease inhibitor CYP3A4, CYP1A2, CYP2B6, CYP2C19, CYP3A5, CYP3A7 HIV protease inhibitor 7371 -60.08 cp BRD-K73109821 diazoxide Potassium channel activator ATP1A1, CA1, CA2, KCNJ11, KCNMA1, SLC12A3 Potassium channel activator 7372 -60.08 cp BRD-A18763547 BAX-channel-blocker Cytochrome C release inhibitor BAX Cytochrome C release inhibitor 7376 -60.47 cp BRD-K51541829 RO-25-6981 Ionotropic glutamate receptor antagonist GRIN2B, SLC18A2 Ionotropic glutamate receptor antagonist, Monamine transporter modulator 7377 -60.48 cp BRD-K07265709 razoxane Chelating agent TOP2A, TOP2B Chelating agent, Topoisomerase inhibitor 7378 -60.51 cp BRD-A80775386 hyperforin Cyclooxygenase inhibitor NR1I2, ALOX5, PTGS1, TRPC6 Cyclooxygenase inhibitor, Dopamine uptake inhibitor, Interleukin receptor antagonist, Lipoxygenase inhibitor, Serotonin reuptake inhibitor 7379 -60.51 cp BRD-K89348303 ramipril ACE inhibitor ACE ACE inhibitor 7382 -60.61 cp BRD-K92726801 hydrastinine Haemostatic agent Haemostatic agent 7383 -60.64 cp BRD-K08806317 timolol Adrenergic receptor antagonist ADRB2, ADRB1 Adrenergic receptor antagonist 7384 -60.68 cp BRD-K42452249 EO-1428 p38 MAPK inhibitor MAPK11, MAPK14 p38 MAPK inhibitor 7395 -61.04 cp BRD-K37848908 ceforanide Penicillin binding protein inhibitor Penicillin binding protein inhibitor 7396 -61.07 cp BRD-K69556541 ryanodine Calcium channel blocker RYR1, RYR2, RYR3 Calcium channel blocker 7397 -61.08 cp BRD-K60511616 pravastatin HMGCR inhibitor HMGCR, SLCO1B1 HMGCR inhibitor 7399 -61.12 cp BRD-K06234293 LY-364947 TGF beta receptor inhibitor TGFBR1 TGF beta receptor inhibitor, p38 MAPK inhibitor 7403 -61.19 cp BRD-K26669427 WR-216174 PFMRK inhibitor PFMRK inhibitor 7408 -61.26 cp BRD-A16754160 ampicillin Bacterial cell wall synthesis inhibitor SLC15A1 Bacterial cell wall synthesis inhibitor 7413 -61.36 cp BRD-K13819402 desoxypeganine Acetylcholinesterase inhibitor ACHE, MAOA Acetylcholinesterase inhibitor, Monoamine oxidase inhibitor 7421 -61.56 cp BRD-A65280694 molindone Dopamine receptor antagonist DRD2, HTR2A, CHRM1, DRD5, HRH1, HTR1A Dopamine receptor antagonist 7427 -61.75 cp BRD-A14798026 mestranol Estrogen receptor agonist ESR1 Estrogen receptor agonist 7429 -61.83 cp BRD-K41410256 balsalazide Cyclooxygenase inhibitor PTGS1, PTGS2, ALOX5, PPARG Cyclooxygenase inhibitor 7433 -62.21 cp BRD-K27141178 SB-203186 Serotonin receptor antagonist HTR4 Serotonin receptor antagonist 7434 -62.22 cp BRD-K26674531 GR-235 Estrogen receptor agonist ESR1, IKBKB, NR1H4, NR1I2, PGR Estrogen receptor agonist, FXR antagonist, Progesterone receptor agonist 7436 -62.23 cp BRD-K43290182 Ro-04-6790 Serotonin receptor antagonist HTR6 Serotonin receptor antagonist 7442 -62.49 cp BRD-K86887724 dofetilide Potassium channel blocker KCNH2, KCNH1, KCNJ12, KCNK2 Potassium channel blocker 7443 -62.51 cp BRD-K64746805 MBCQ Phosphodiesterase inhibitor PDE5A Phosphodiesterase inhibitor 7449 -62.77 cp BRD-K48722833 iloperidone Dopamine receptor antagonist DRD2, HTR2A, HTR1A, HTR6, HTR7, ADRA1A, ADRA2C, DRD1, DRD3, DRD4, HRH1 Dopamine receptor antagonist, Serotonin receptor antagonist 7452 -62.83 cp BRD-K87024524 phenelzine Monoamine oxidase inhibitor MAOB, AOC3, MAOA, ABAT, GAD2, GPT, GPT2, SLC6A2, SLC6A3, SLC6A4 Monoamine oxidase inhibitor 7453 -62.83 cp BRD-K50325075 UCL-2077 Slow after hyperpolarization channel blocker Slow after hyperpolarization channel blocker 7456 -62.9 cp BRD-A22256192 terazosin Adrenergic receptor antagonist ADRA1D, ADRA1A, ADRA1B, KCNH2, KCNH6, KCNH7 Adrenergic receptor antagonist 7457 -62.9 cp BRD-M64432851 sunitinib FLT3 inhibitor FLT3, KDR, KIT, FLT4, FLT1, PDGFRA, PDGFRB, RET, CSF1R, FGFR1 FLT3 inhibitor, KIT inhibitor, PDGFR receptor inhibitor, RET tyrosine kinase inhibitor, VEGFR inhibitor 7459 -62.93 cp BRD-A10903566 imiloxan Adrenergic receptor antagonist ADRA2B Adrenergic receptor antagonist 7461 -63.03 cp BRD-A77299732 salubrinal Eukaryotic translation initiation factor inhibitor EIF2S1, SLC6A9 Eukaryotic translation initiation factor inhibitor 7465 -63.08 cp BRD-A17428743 BW-723C86 Serotonin receptor agonist HTR2B, HTR2A, HTR2C Serotonin receptor agonist 7467 -63.11 cp BRD-K30296925 flavokavain-b Antineoplastic HIF1A Antineoplastic 7471 -63.24 cp BRD-K21450440 benzthiazide Carbonic anhydrase inhibitor CA2, CA1, CA12, CA4, CA9, SLC12A3 Carbonic anhydrase inhibitor 7472 -63.25 cp BRD-A60197193 amisulpride Dopamine receptor antagonist DRD2, DRD3, HTR2A, HTR7 Dopamine receptor antagonist 7474 -63.3 cp BRD-A81772229 simvastatin HMGCR inhibitor HMGCR, CYP2C8, CYP3A4, CYP3A5, ITGB2 HMGCR inhibitor 7475 -63.39 cp BRD-K15916496 clotrimazole Cytochrome P450 inhibitor KCNN4, CYP3A4, CYP51A1, NR1I2, NR1I3, TRPM2, TRPM4, TRPM8 Cytochrome P450 inhibitor, Imidazoline receptor ligand 7476 -63.4 cp BRD-K93201660 ML-7 Myosin light chain kinase inhibitor MYLK Myosin light chain kinase inhibitor 7482 -63.63 cp BRD-K67102207 phenylbutyrate HDAC inhibitor CYP3A5, HDAC1 HDAC inhibitor 7486 -63.85 cp BRD-K64881305 ispinesib Kinesin-like spindle protein inhibitor KIF11 Kinesin-like spindle protein inhibitor 7490 -63.97 cp BRD-K43860855 iobenguane Antineoplastic Antineoplastic 7491 -63.98 cp BRD-K05528470 L-745870 Dopamine receptor antagonist DRD4, DRD1, DRD2, DRD3, HTR1A, HTR2A, HTR6, HTR7 Dopamine receptor antagonist 7494 -64.04 cp BRD-K21680192 mitoxantrone Topoisomerase inhibitor TOP2A, PIM1 Topoisomerase inhibitor 7495 -64.06 cp BRD-K05804044 AZ-628 RAF inhibitor BRAF, RAF1 RAF inhibitor 7496 -64.09 cp BRD-K36864847 BD-1047 Adrenergic receptor antagonist SIGMAR1 Adrenergic receptor antagonist 7497 -64.12 cp BRD-A81866333 CGS-21680 Adenosine receptor agonist ADORA2A, ADORA1, ADORA2B, ADORA3 Adenosine receptor agonist 7498 -64.13 cp BRD-K10995081 perphenazine Dopamine receptor antagonist DRD2, CALM1, DRD1, HRH1, HTR2A, HTR2C, HTR6, HTR7 Dopamine receptor antagonist 7500 -64.21 cp BRD-K03642198 AY-9944 Hedgehog pathway modulator Hedgehog pathway modulator 7503 -64.31 cp BRD-K82036761 sertraline Serotonin receptor antagonist SLC6A4, CYP2C19, SLC6A3 Serotonin receptor antagonist 7515 -65.04 cp BRD-K32501161 vanoxerine Dopamine uptake inhibitor SLC6A3, MAOA, MAOB Dopamine uptake inhibitor 7516 -65.09 cp BRD-K68174511 torin-2 MTOR inhibitor MTOR MTOR inhibitor 7520 -65.24 cp BRD-A77722753 hydralazine Vasodilator AOC3, P4HA1 Vasodilator 7522 -65.33 cp BRD-K85402309 dovitinib EGFR inhibitor EGFR, FGFR3, PDGFRB, CSF1R, FGFR1, FGFR2, FLT1, FLT3, FLT4, INSR, KDR, KIT, PDGFRA EGFR inhibitor, FLT3 inhibitor, FGFR inhibitor, PDGFR receptor inhibitor, VEGFR inhibitor 7523 -65.37 cp BRD-K11853856 PJ-34 PARP inhibitor EEF2, PARP1, PARP15, PARP3 PARP inhibitor 7524 -65.4 cp BRD-A29901043 KIN001-127 ITK inhibitor ITK ITK inhibitor 7525 -65.42 cp BRD-K77625572 etomoxir Carnitine palmitoyltransferase inhibitor CPT1A, CPT1B Carnitine palmitoyltransferase inhibitor 7530 -65.79 cp BRD-K63151507 MNITMT Lymphocyte inhibitor Lymphocyte inhibitor 7531 -65.8 cp BRD-A14985772 ascorbyl-palmitate antioxidant antioxidant 7532 -65.81 cp BRD-K27871032 lysergol Ergoline alkaloid HTR1B, HTR1D, HTR1E Ergoline alkaloid 7534 -65.84 cp BRD-K71499074 diclofenamide Carbonic anhydrase inhibitor CA1, CA2, CA4, CA12, CA7 Carbonic anhydrase inhibitor 7536 -65.88 cp BRD-K88568253 iproniazid Monoamine oxidase inhibitor MAOA, MAOB Monoamine oxidase inhibitor 7540 -66.04 cp BRD-K31238592 devazepide CCK receptor antagonist CCKAR, CCKBR, GAST CCK receptor antagonist 7543 -66.1 cp BRD-K46137903 prednicarbate Phospholipase activator NR3C1, PLA2G1B Phospholipase activator 7545 -66.19 cp BRD-K91900765 VX-745 p38 MAPK inhibitor MAPK14, MAPK11, MAPK12 p38 MAPK inhibitor 7551 -66.37 cp BRD-K95899059 LY-344864 Serotonin receptor agonist HTR1F, HTR1A, HTR1B, HTR1D, HTR1E, HTR2A, HTR2B, HTR2C, HTR7 Serotonin receptor agonist 7552 -66.38 cp BRD-K12120659 GR-144053 Integrin antagonist ITGB3, ITGA2B Integrin antagonist 7555 -66.46 cp BRD-K96471533 nitazoxanide Pyruvate ferredoxin oxidoreductase inhibitor Pyruvate ferredoxin oxidoreductase inhibitor 7558 -66.49 cp BRD-K64517075 heliomycin ATP synthase inhibitor ATP synthase inhibitor 7560 -66.74 cp BRD-A90131694 alclometasone Glucocorticoid receptor agonist NR3C1, SERPINA6 Glucocorticoid receptor agonist, Immunosuppressant 7561 -66.76 cp BRD-K91904471 SD-169 p38 MAPK inhibitor MAPK14 p38 MAPK inhibitor 7563 -66.87 cp BRD-K73395020 SA-1478088 -666 MMP12, MMP14, MMP2, MMP8, MMP9 -666 7564 -66.87 cp BRD-K44432556 VU-0418946-1 HIF modulator HIF1A HIF modulator 7566 -66.93 cp BRD-M86331534 pyrvinium-pamoate AKT inhibitor AR AKT inhibitor 7567 -66.96 cp BRD-K64670467 JNJ-16259685 Glutamate receptor antagonist GRM1 Glutamate receptor antagonist 7568 -66.97 cp BRD-A54236247 racephedrine Adrenergic receptor agonist Adrenergic receptor agonist 7569 -67.02 cp BRD-K93258693 GW-9662 PPAR receptor antagonist PPARG, NCOA2, RXRA PPAR receptor antagonist 7570 -67.03 cp BRD-K00337317 NU-7441 DNA dependent protein kinase inhibitor PRKDC, ABCB1 DNA dependent protein kinase inhibitor, P-glycoprotein inhibitor 7572 -67.07 cp BRD-K11927976 ER-27319 Mediator release inhibitor SYK Mediator release inhibitor, SYK inhibitor 7576 -67.21 cp BRD-K99447003 enalaprilat ACE inhibitor ACE ACE inhibitor 7581 -67.48 cp BRD-K31912990 CGP-71683 Neuropeptide receptor antagonist NPY5R Neuropeptide receptor antagonist 7585 -67.52 cp BRD-K74236984 UNC-0321 Histone lysine methyltransferase inhibitor EHMT2 Histone lysine methyltransferase inhibitor 7586 -67.54 cp BRD-K05151076 ZK-164015 Estrogen receptor antagonist ESR1, ESR2 Estrogen receptor antagonist 7587 -67.58 cp BRD-K15715913 fluperlapine Serotonin receptor antagonist DRD2, HTR2A, HTR6, HTR7 Serotonin receptor antagonist 7588 -67.66 cp BRD-K05673000 dicloxacillin Bacterial cell wall synthesis inhibitor Bacterial cell wall synthesis inhibitor 7592 -67.79 cp BRD-K25311561 KU-55933 ATM kinase inhibitor ATM, PRKDC ATM kinase inhibitor 7593 -67.9 cp BRD-K01292756 pimozide Dopamine receptor antagonist DRD2, DRD3, CACNA1I, CALM1, HRH1, HTR1A, HTR2A, KCNA10, KCNH2 Dopamine receptor antagonist 7595 -67.99 cp BRD-K62310379 fluticasone Glucocorticoid receptor agonist NR3C1, CYP3A5, CYP3A7, NR3C2, PGR, PLA2G4A Glucocorticoid receptor agonist 7603 -68.24 cp BRD-A24514565 warfarin Vitamin K antagonist VKORC1, CYP2C19, CYP2C8, CYP4F2 Vitamin K antagonist 7606 -68.3 cp BRD-A71009679 KUC103420N -666 -666 7608 -68.45 cp BRD-A19633847 perhexiline Carnitine palmitoyltransferase inhibitor CPT1A, CPT2 Carnitine palmitoyltransferase inhibitor 7611 -68.55 cp BRD-K67566344 KU-0063794 MTOR inhibitor MTOR MTOR inhibitor 7613 -68.66 cp BRD-K05464208 JX-401 p38 MAPK inhibitor MAPK14 p38 MAPK inhibitor 7615 -68.7 cp BRD-K47192521 icosapent Platelet aggregation inhibitor PTGS1, PTGS2, ACSL3, ACSL4, FADS1, FFAR1, PPARD, PPARG, SLC8A1, TRPV1 Platelet aggregation inhibitor 7625 -69.1 cp BRD-A45543382 metrizamide Radiopaque medium Radiopaque medium 7626 -69.16 cp BRD-A75479906 rimantadine Antiviral Antiviral, RNA synthesis inhibitor 7636 -69.72 cp BRD-A16665823 butoconazole Bacterial cell wall synthesis inhibitor Bacterial cell wall synthesis inhibitor 7637 -69.73 cp BRD-A33084410 5'-guanidinonaltrindole Opioid receptor antagonist Opioid receptor antagonist 7639 -69.75 cp BRD-A49906757 scopolamine Acetylcholine receptor antagonist CHRM2, CHRM1, CHRM3, CHRM4, CHRM5, SI Acetylcholine receptor antagonist 7641 -69.86 cp BRD-K33551950 radicicol HSP inhibitor ACLY, DLAT, HSP90AB1, HSP90B1, MAP3K7, OPRM1, PDK3 HSP inhibitor 7642 -69.86 cp BRD-K08417745 SID-26681509 Cathepsin inhibitor CTSL Cathepsin inhibitor 7643 -69.87 cp BRD-K02407574 parbendazole Tubulin inhibitor TUBB Tubulin inhibitor 7644 -69.89 cp BRD-K78431006 crizotinib ALK inhibitor ALK, MET, CYP2B6, CYP3A5, MST1R, ROS1 ALK inhibitor 7645 -69.92 cp BRD-K12906962 dichlorobenzamil Sodium/calcium exchange inhibitor Sodium/calcium exchange inhibitor 7646 -69.94 cp BRD-A32949107 MRS-1845 Calcium channel blocker ORAI1 Calcium channel blocker 7647 -69.96 cp BRD-K17140735 SCH-79797 Proteasome inhibitor F2R Proteasome inhibitor 7650 -70.13 cp BRD-K28761384 zuclopenthixol Dopamine receptor antagonist DRD2, DRD1, ADRA1A, ADRA2A, DRD5, HRH1, HTR2A Dopamine receptor antagonist 7651 -70.35 cp BRD-K56450366 NSC-94258 Antineoplastic AKR1B1, CYP19A1, HSD17B1 Antineoplastic 7655 -70.42 cp BRD-M16762496 PIK-75 DNA protein kinase inhibitor PIK3CA, PIK3CB, PIK3CD, PIK3CG, PRKDC DNA protein kinase inhibitor, PI3K inhibitor 7658 -70.53 cp BRD-K37814297 acepromazine Dopamine receptor antagonist ADRA1A, ADRA1B, DRD1, DRD2, HTR1A, HTR2A Dopamine receptor antagonist 7659 -70.54 cp BRD-K17497770 butein EGFR inhibitor ACE, CXCL8, IL6, SIRT1, SRD5A1, SRD5A2, TNF EGFR inhibitor, SRC inhibitor 7660 -70.55 cp BRD-K46056750 AZD-7762 CHK inhibitor CHEK1, CHEK2 CHK inhibitor 7664 -70.76 cp BRD-K06198550 isorotenone Mitochondrial complex I inhibitor MT-ND1 Mitochondrial complex I inhibitor, NADH-ubiquinone oxidoreductase (Complex I) inhibitor 7666 -70.82 cp BRD-K41143549 BRD-K41143549 Glutamate receptor antagonist Glutamate receptor antagonist 7668 -70.9 cp BRD-K13646352 midostaurin FLT3 inhibitor FLT3, KIT, CCNB1, FLT1, KDR, PDGFRB, PRKCA, PRKCG, VEGFA FLT3 inhibitor, KIT inhibitor, PKC inhibitor 7669 -70.92 cp BRD-K40255344 tyrphostin-A9 Protein tyrosine kinase inhibitor Protein tyrosine kinase inhibitor, Tyrosine kinase inhibitor 7672 -71.33 cp BRD-A22707317 SB-205384 GABA receptor modulator GABRA3, GABRA5, GABRA6 GABA receptor modulator 7673 -71.37 cp BRD-A25143711 hydrocortisone Glucocorticoid receptor agonist ANXA1, NOS2, NR3C1, NR3C2 Glucocorticoid receptor agonist 7675 -71.44 cp BRD-K57546357 prunetin Breast cancer resistance protein inhibitor ABCG2, ALDH2 Breast cancer resistance protein inhibitor 7679 -71.67 cp BRD-A72596465 GW-6471 PPAR receptor antagonist PPARA PPAR receptor antagonist 7681 -71.68 cp BRD-K55344148 BU-224 Imidazoline receptor ligand MAOA, MAOB Imidazoline receptor ligand 7683 -71.82 cp BRD-K63089472 farnesylthioacetic-acid Inhibitor of methyl esterification of farnesylated proteins Inhibitor of methyl esterification of farnesylated proteins 7684 -71.91 cp BRD-K90574421 ipsapirone Serotonin receptor agonist HTR1A Serotonin receptor agonist 7686 -71.99 cp BRD-K99964838 bosutinib ABL inhibitor ABL1, SRC, BCR, CAMK2G, LYN, CAMK1D, CDK2, FRK, FYN, HCK, MAP2K1, MAP2K2, MAP3K2, MAP4K5, STK10, STK24, STK4, TNK2, TXK ABL inhibitor, BCR-ABL kinase inhibitor, SRC inhibitor 7687 -72.01 cp BRD-A38913120 BH3I-1 BCL inhibitor BCL2 BCL inhibitor 7689 -72.15 cp BRD-K17674993 diflorasone Corticosteroid agonist NR3C1, PLA2G1B Corticosteroid agonist, Glucocorticoid receptor agonist, Cytochrome P450 inhibitor, Immunosuppressant 7691 -72.19 cp BRD-A44448661 pentobarbital Barbiturate antiepileptic GABRA1, CHRNA4, CHRNA7, GABRA2, GABRA3, GABRA4, GABRA5, GABRA6, GABRB1, GABRB2, GABRB3, GABRD, GABRE, GABRG1, GABRG2, GABRG3, GABRP, GABRQ, GRIA2, GRIK2, GRIN1, GRIN2A, GRIN2B, GRIN2C, GRIN2D, GRIN3A, GRIN3B Barbiturate antiepileptic, GABA receptor modulator 7692 -72.27 cp BRD-K11911061 GR-127935 Serotonin receptor antagonist HTR1B, HTR1D, HTR1A, HTR2A, HTR2C, HTR1E, HTR1F, HTR2B, HTR6 Serotonin receptor antagonist 7694 -72.31 cp BRD-A11678676 wortmannin PI3K inhibitor PIK3CA, PIK3CG, PLK1, ATM, ATR, MTOR, PI4KA, PI4KB, PIK3CD, PIK3R1, PLK3, PRKDC PI3K inhibitor 7697 -72.52 cp BRD-M07438658 lapatinib EGFR inhibitor EGFR, ERBB2, CYP3A5 EGFR inhibitor, ErbB2 inhibitor 7700 -72.68 cp BRD-K19796430 erismodegib Smoothened receptor antagonist SMO Smoothened receptor antagonist 7701 -72.78 cp BRD-K63675182 triflupromazine Dopamine receptor antagonist HTR2B, CHRM1, CHRM2, CHRNA7, DRD1, DRD2 Dopamine receptor antagonist 7702 -72.79 cp BRD-K39520573 GW-5074 Leucine rich repeat kinase inhibitor LRRK1, LRRK2, NTRK1, RAF1 Leucine rich repeat kinase inhibitor, RAF inhibitor 7703 -72.83 cp BRD-A79803969 memantine Glutamate receptor antagonist GRIN1, CHRFAM7A, CYP2E1, DRD2, GRIN2A, GRIN2B, GRIN3A, HTR3A Glutamate receptor antagonist 7705 -72.9 cp BRD-K72420232 WZ-4002 EGFR inhibitor EGFR, ERBB2 EGFR inhibitor 7707 -72.91 cp BRD-K07303502 arachidonyl-trifluoro-methane Cytosolic phospholipase inhibitor PLA2G4A Cytosolic phospholipase inhibitor 7708 -72.94 cp BRD-K74430258 1,2-dichlorobenzene Hepatotoxicant Hepatotoxicant, Organic compound 7715 -73.14 cp BRD-K33226500 indinavir HIV protease inhibitor CYP3A5 HIV protease inhibitor 7717 -73.18 cp BRD-K20714604 RS-56812 Serotonin receptor partial agonist HTR3A Serotonin receptor partial agonist 7718 -73.21 cp BRD-K82823076 RO-15-4513 GABA benzodiazepine site receptor inverse agonist GABRA1, GABRA2, GABRA3, GABRA5, GABRA4, GABRA6, GABRB2, GABRG2 GABA benzodiazepine site receptor inverse agonist 7721 -73.39 cp BRD-K16554956 PTB1 AMPK activator PTPN1 AMPK activator 7725 -73.51 cp BRD-K56047318 RHC-80267 Triacylglycerol lipase inhibitor DAGLA, DAGLB, LIPC, LIPE, LIPG Triacylglycerol lipase inhibitor 7727 -73.65 cp BRD-U88459701 atorvastatin HMGCR inhibitor HMGCR, DPP4, AHR, CYP3A5, FASLG HMGCR inhibitor 7728 -73.68 cp BRD-K61341215 vecuronium Acetylcholine receptor antagonist CHRNA2 Acetylcholine receptor antagonist 7729 -73.68 cp BRD-K32292990 CGP-53353 EGFR inhibitor EGFR, PRKCB EGFR inhibitor, PKC inhibitor 7731 -73.79 cp BRD-K94832621 Y-134 Estrogen receptor antagonist ESR1, ESR2 Estrogen receptor antagonist 7735 -73.92 cp BRD-K40990712 hexamethyleneamiloride Sodium/hydrogen antiport inhibitor GNRHR, ADRA2A, GNRH1, PLAU, SLC9A1 Sodium/hydrogen antiport inhibitor 7737 -73.99 cp BRD-K87909389 alvocidib CDK inhibitor CDK2, CDK4, CDK1, CDK6, CDK7, CDK9, CDK5, CDK8, EGFR, PYGM, BCL2, BIRC5, CCNT1, MCL1, XIAP CDK inhibitor 7741 -74.07 cp BRD-A43331270 niguldipine Calcium channel blocker ADRA1A, CACNA1C, ADRA1B, ADRA1D Calcium channel blocker, Adrenergic receptor antagonist 7744 -74.4 cp BRD-K70490179 rimcazole Sigma receptor antagonist SIGMAR1 Sigma receptor antagonist 7747 -74.66 cp BRD-K18909381 CGS-12066B Serotonin receptor agonist HTR1B, HTR1A, HTR1D, HTR2A, HTR2B, HTR2C Serotonin receptor agonist 7748 -74.7 cp BRD-K78122587 NNC-55-0396 T-type calcium channel blocker CATSPER1, CATSPER2, CATSPER3, CATSPER4 T-type calcium channel blocker 7750 -74.82 cp BRD-K78084463 W-12 Calmodulin antagonist Calmodulin antagonist 7757 -75.08 cp BRD-K17953061 staurosporine PKC inhibitor CDK2, GSK3B, CAMK2B, CDK1, CDK5, CHEK1, CHRM1, CHRM2, CHRM4, CSK, DAPK1, GPR35, IKBKB, ITK, LCK, LRRK2, MAP2K4, MAP2K6, MAPKAPK2, PAK2, PDPK1, PHKG2, PIK3CG, PIM1, PKN1, PRKACB, PRKCI, PRKCQ, RPS6KA1, STK3, SYK, TNIK, ZAP70 PKC inhibitor 7761 -75.23 cp BRD-K63150726 JTE-907 Cannabinoid receptor inverse agonist CNR2 Cannabinoid receptor inverse agonist 7762 -75.25 cp BRD-U01690642 acetyl-geranyl-cysteine Isoprenylated protein methylation inhibitor Isoprenylated protein methylation inhibitor 7764 -75.29 cp BRD-K32836707 CAY-10577 Casein kinase inhibitor Casein kinase inhibitor 7766 -75.37 cp BRD-A49225603 alimemazine Histamine receptor agonist HRH1 Histamine receptor agonist 7769 -75.4 cp BRD-K15402119 huperzine-a Acetylcholinesterase inhibitor ACHE Acetylcholinesterase inhibitor 7770 -75.4 cp BRD-K36198571 WAY-170523 Metalloproteinase inhibitor MMP13 Metalloproteinase inhibitor 7771 -75.42 cp BRD-K26997899 SA-792574 Microtubule inhibitor TUBB Microtubule inhibitor 7772 -75.43 cp BRD-K62221994 T-98475 Gonadotropin releasing factor hormone receptor antagonist GNRH1, GNRHR Gonadotropin releasing factor hormone receptor antagonist 7773 -75.51 cp BRD-K77908580 entinostat HDAC inhibitor HDAC1, HDAC2, HDAC3, HDAC9 HDAC inhibitor 7774 -75.53 cp BRD-A13122391 triptolide RNA polymerase inhibitor CYP2C19, RELA RNA polymerase inhibitor 7775 -75.57 cp BRD-K59962020 CHEMBL-374350 NFkB pathway inhibitor NFkB pathway inhibitor 7781 -75.89 cp BRD-K49448285 bisindolylmaleimide CDK inhibitor CCND1, CDK4, LRRK2, PDPK1, PIM1, PRKCA, PRKCB, PRKCI, PRKCZ CDK inhibitor 7783 -75.91 cp BRD-K95785537 PP-2 SRC inhibitor SRC, LCK, ABL1, LYN, RIPK2 SRC inhibitor 7788 -75.98 cp BRD-K06926592 tretinoin Retinoid receptor agonist RARG, RORB, ALDH1A1, ALDH1A2, GPRC5A, NR0B1, NR2C2, PPARD, RARA, RARB, RARRES1, RORC, RXRB, RXRG Retinoid receptor agonist, Retinoid receptor ligand 7792 -76.23 cp BRD-K63923597 barasertib Aurora kinase inhibitor AURKB, AURKC Aurora kinase inhibitor 7799 -76.42 cp BRD-K89930444 AG-592 Tyrosine kinase inhibitor Tyrosine kinase inhibitor 7801 -76.61 cp BRD-K53570330 carbofuran Cholinesterase inhibitor Cholinesterase inhibitor 7803 -76.66 cp BRD-K36740062 GSK-1070916 Aurora kinase inhibitor AURKB, AURKC, AURKA, CYP2D6, CYP3A4 Aurora kinase inhibitor 7810 -76.91 cp BRD-K94441233 mevastatin HMGCR inhibitor HMGCR HMGCR inhibitor 7813 -76.96 cp BRD-A41692738 TGX-221 PI3K inhibitor PIK3CB, PIK3CD PI3K inhibitor 7817 -77.17 cp BRD-A83326220 brazilin Nitric oxide production inhibitor Nitric oxide production inhibitor 7818 -77.3 cp BRD-U73238814 QL-XI-92 DDR1 inhibitor DDR1 DDR1 inhibitor 7819 -77.3 cp BRD-K68997413 PF-3845 FAAH inhibitor FAAH FAAH inhibitor 7822 -77.64 cp BRD-K48722258 dilazep Adenosine reuptake inhibitor SLC29A1, CACNA1C Adenosine reuptake inhibitor 7823 -77.64 cp BRD-K88560311 rucaparib PARP inhibitor PARP1, PARP2 PARP inhibitor 7824 -77.69 cp BRD-K07403598 CAY-10470 NFkB pathway inhibitor NFKB1, TNF NFkB pathway inhibitor 7826 -77.73 cp BRD-K04185004 oxybuprocaine Local anesthetic SCN10A Local anesthetic 7829 -77.75 cp BRD-K17823458 danoprevir HCV inhibitor HCV inhibitor 7830 -77.76 cp BRD-U44618005 WH-4023 SRC inhibitor ABL1, LCK, SRC SRC inhibitor 7837 -78.09 cp BRD-A56359832 zileuton Leukotriene inhibitor ALOX5 Leukotriene inhibitor, Lipoxygenase inhibitor 7839 -78.19 cp BRD-U51951544 ZG-10 JNK inhibitor MAPK8 JNK inhibitor 7840 -78.2 cp BRD-K52080565 rilmenidine Imidazoline receptor agonist NISCH Imidazoline receptor agonist 7845 -78.47 cp BRD-K01436366 XMD-1150 Leucine rich repeat kinase inhibitor LRRK2 Leucine rich repeat kinase inhibitor 7847 -78.51 cp BRD-U37049823 HG-6-64-01 RAF inhibitor ABL1, BRAF, CSF1R, EGFR, FGFR1, FLT3, KIT, MAPK11, PDGFRB, RET RAF inhibitor 7848 -78.65 cp BRD-K10176267 L-701252 Glutamate receptor antagonist GRIN1 Glutamate receptor antagonist 7849 -78.74 cp BRD-A84389633 tropanyl-3,5-dimethylbenzoate Serotonin receptor antagonist Serotonin receptor antagonist 7853 -78.85 cp BRD-A60070924 alpha-estradiol Estrogen receptor agonist ESR1, ESR2, NR1I2, CYP2B6, CYP2C19, CYP2C8, CYP2E1, CYP3A5, CYP3A7, GPER1, KCNMA1 Estrogen receptor agonist 7854 -78.9 cp BRD-A76093993 cromakalim Potassium channel activator KCNJ8, ABCC9, KCNJ5 Potassium channel activator 7855 -78.92 cp BRD-A51410489 yohimbine Adrenergic receptor antagonist ADRA2A, ADRA2C, ADRA2B, HTR1A, HTR1B, HTR1D, HTR2B, DRD2, DRD3, HTR1E, HTR1F, HTR2A, HTR2C, HTR5A, HTR7, KCNJ1, KCNJ10, KCNJ11, KCNJ12, KCNJ14, KCNJ15, KCNJ8 Adrenergic receptor antagonist 7856 -78.97 cp BRD-K02965346 SU-11274 Hepatocyte growth factor receptor inhibitor MET Hepatocyte growth factor receptor inhibitor, Tyrosine kinase inhibitor 7858 -78.98 cp BRD-K01649396 indatraline Norepinephrine transporter inhibitor SLC6A2, SLC6A3, SLC6A4 Norepinephrine transporter inhibitor 7859 -79.06 cp BRD-K63165456 norcyclobenzaprine Adrenergic receptor agonist HTR2A Adrenergic receptor agonist, Serotonin receptor antagonist 7860 -79.06 cp BRD-A90515964 guaifenesin Expectorant Expectorant 7861 -79.11 cp BRD-K84895041 BMY-45778 IP1 prostacyclin receptor agonist PTGIR IP1 prostacyclin receptor agonist 7864 -79.28 cp BRD-K47598052 PP-1 SRC inhibitor HCK, RET, SRC SRC inhibitor, ABL inhibitor 7868 -79.4 cp BRD-K37456065 VU-0365114-2 M5 modulator CHRM5 M5 modulator 7869 -79.48 cp BRD-A64227845 SKF-77434 Dopamine receptor agonist DRD1 Dopamine receptor agonist 7870 -79.48 cp BRD-A98299281 velnacrine cholinesterase inhibitor ACHE cholinesterase inhibitor 7872 -79.54 cp BRD-K98684188 GSK-0660 PPAR receptor antagonist PPARD PPAR receptor antagonist 7880 -79.89 cp BRD-K86003836 flubendazole Tubulin inhibitor TUBB Tubulin inhibitor 7881 -79.93 cp BRD-K65814004 diphenyleneiodonium Nitric oxide synthase inhibitor ALDH1A2, ALDH2, ALDH5A1, ALDH7A1, NOX3, XDH Nitric oxide synthase inhibitor 7882 -79.95 cp BRD-K49328571 dasatinib BCR-ABL kinase inhibitor ABL1, FYN, LCK, SRC, KIT, YES1, BCR, EPHA2, LYN, PDGFRB, ABL2, BTK, DDR1, DDR2, PDGFRA, STAT5B BCR-ABL kinase inhibitor, Ephrin inhibitor, KIT inhibitor, PDGFR receptor inhibitor, SRC inhibitor, Tyrosine kinase inhibitor 7884 -80.07 cp BRD-K15588452 R-96544 Serotonin receptor antagonist HTR2A Serotonin receptor antagonist 7885 -80.13 cp BRD-A81402010 KU-C103443N CDC inhibitor CDC inhibitor, Rho associated kinase inhibitor 7886 -80.13 cp BRD-K74305673 IKK-2-inhibitor-V IKK inhibitor IKBKB IKK inhibitor, NFkB pathway inhibitor 7887 -80.16 cp BRD-K10705233 GW-405833 Cannabinoid receptor agonist CNR2 Cannabinoid receptor agonist 7890 -80.29 cp BRD-K47869605 podophyllotoxin Microtubule inhibitor IGF1R, CASP3, TOP2A, TUBA4A, TUBB Microtubule inhibitor, Tubulin inhibitor 7894 -80.53 cp BRD-K07212038 selinidin Mast cell stabilizer Mast cell stabilizer 7895 -80.53 cp BRD-K15791587 L-733060 Tachykinin antagonist TACR1 Tachykinin antagonist 7899 -80.61 cp BRD-A39268308 epibatidine Acetylcholine receptor agonist CHRFAM7A, CHRNA2, CHRNA3, CHRNA4, CHRNA7 Acetylcholine receptor agonist 7900 -80.64 cp BRD-K72726508 arcyriaflavin-a CDK inhibitor CCND1, CCNE1, CDK2, CDK4 CDK inhibitor 7901 -80.64 cp BRD-K39823328 VU-0366037-2 Glutamate receptor modulator GRM4 Glutamate receptor modulator 7903 -80.74 cp BRD-K80970344 pyrrolidine-dithiocarbamate NFkB pathway inhibitor HSD11B1, RELA NFkB pathway inhibitor 7904 -80.79 cp BRD-K99451608 lopinavir HIV protease inhibitor HIV protease inhibitor 7905 -80.8 cp BRD-K43389675 daunorubicin RNA synthesis inhibitor TOP2A, TOP2B RNA synthesis inhibitor, Topoisomerase inhibitor 7907 -80.82 cp BRD-K84987553 MDM2-inhibitor MDM inhibitor MDM2 MDM inhibitor 7908 -81.01 cp BRD-K33483813 actarit Interleukin receptor agonist Interleukin receptor agonist 7909 -81.06 cp BRD-A11702965 chromomycin-a3 DNA binding agent DNA binding agent 7910 -81.07 cp BRD-K11905747 spectinomycin Bacterial 30S ribosomal subunit inhibitor Bacterial 30S ribosomal subunit inhibitor 7911 -81.08 cp BRD-K08219523 5-nonyloxytryptamine Serotonin receptor agonist HTR1B, HTR1D Serotonin receptor agonist 7912 -81.13 cp BRD-K09499853 KU-0060648 DNA dependent protein kinase inhibitor PIK3CA, PIK3CB, PIK3CD, PIK3CG, PRKDC DNA dependent protein kinase inhibitor, PI3K inhibitor 7913 -81.27 cp BRD-K74212935 ergocryptine Dopamine agonist Dopamine agonist 7914 -81.3 cp BRD-K63630713 etacrynic-acid Sodium/potassium/chloride transporter inhibitor SLC12A1, ATP1A1, SLC12A2 Sodium/potassium/chloride transporter inhibitor 7915 -81.32 cp BRD-A43082555 loxoprofen Cyclooxygenase inhibitor PTGS2 Cyclooxygenase inhibitor, Prostanoid receptor antagonist 7917 -81.43 cp BRD-K30677119 PP-30 RAF inhibitor RAF1 RAF inhibitor 7918 -81.51 cp BRD-K47659338 EMD-386088 Serotonin receptor agonist HTR6 Serotonin receptor agonist 7920 -81.58 cp BRD-K77286328 reversine Aurora kinase inhibitor AURKB, ADORA3, AURKA, INCENP, MAP2K1 Aurora kinase inhibitor 7921 -81.64 cp BRD-K35960502 niclosamide DNA replication inhibitor STAT3 DNA replication inhibitor, STAT inhibitor 7924 -81.71 cp BRD-K14821540 FCCP Mitochondrial oxidative phosphorylation uncoupler Mitochondrial oxidative phosphorylation uncoupler 7927 -81.85 cp BRD-A88774919 doxycycline Bacterial 30S ribosomal subunit inhibitor MMP8, MMP1 Bacterial 30S ribosomal subunit inhibitor, Metalloproteinase inhibitor 7928 -81.88 cp BRD-K42573370 avrainvillamide-analog-2 nucleophosmin inhibitor NPM1 nucleophosmin inhibitor 7930 -81.96 cp BRD-K65417056 meprylcaine Local anesthetic Local anesthetic 7933 -82.04 cp BRD-K56509348 BMS-182874 Endothelin receptor antagonist EDNRA Endothelin receptor antagonist 7937 -82.13 cp BRD-K22947005 dexbrompheniramine Histamine receptor antagonist HRH1 Histamine receptor antagonist 7938 -82.16 cp BRD-K26373640 IKK-2-inhibitor IKK inhibitor IKBKB IKK inhibitor, SYK inhibitor 7939 -82.21 cp BRD-K03816923 rottlerin MAP kinase inhibitor KCNH2, PRKCD, TGM2 MAP kinase inhibitor, Protein kinase inhibitor 7944 -82.37 cp BRD-K50384076 7,4'-dihydroxyflavone Opioid receptor antagonist CYP19A1 Opioid receptor antagonist 7945 -82.37 cp BRD-A80017228 bendroflumethiazide Sodium/potassium/chloride transporter inhibitor SLC12A3, CA1, CA2, CA4, KCNMA1, SLC12A1 Sodium/potassium/chloride transporter inhibitor 7949 -82.55 cp BRD-K64606589 apicidin HDAC inhibitor HDAC1, HDAC10, HDAC11, HDAC2, HDAC3, HDAC4, HDAC5, HDAC6, HDAC7, HDAC8, HDAC9 HDAC inhibitor 7950 -82.56 cp BRD-K42500029 CGP-57380 MAP kinase inhibitor AURKB, LCK, MKNK1, MKNK2, SGK1 MAP kinase inhibitor 7954 -82.65 cp BRD-K08589866 linsitinib IGF-1 inhibitor IGF1R, INSR, INSRR IGF-1 inhibitor 7955 -82.7 cp BRD-K56429665 calcipotriol Vitamin D receptor agonist VDR Vitamin D receptor agonist 7957 -82.76 cp BRD-K86930074 cediranib KIT inhibitor KDR, FLT1, FLT4, KIT, PDGFRB, CSF1R, FLT3, PDGFRA KIT inhibitor, VEGFR inhibitor 7958 -82.76 cp BRD-A58955223 sulforaphane Antineoplastic NFE2L2 Antineoplastic, Aryl hydrocarbon receptor antagonist 7961 -83.02 cp BRD-K87226815 cycloserine Bacterial cell wall synthesis inhibitor GRIN1 Bacterial cell wall synthesis inhibitor 7963 -83.14 cp BRD-K30189597 SYK-inhibitor SYK inhibitor SYK SYK inhibitor 7968 -83.42 cp BRD-K57631554 aminolevulinic-acid Oxidizing agent ALAD Oxidizing agent 7971 -83.61 cp BRD-K47780086 penciclovir DNA directed DNA polymerase inhibitor DNA directed DNA polymerase inhibitor 7973 -83.62 cp BRD-K09638361 SA-63133 -666 CSNK1E, CSNK1A1, CSNK1D, CSNK1G2 -666 7975 -83.73 cp BRD-K09416995 lovastatin HMGCR inhibitor HMGCR, CYP3A5, HDAC2, ITGAL, NR1I2 HMGCR inhibitor 7979 -83.88 cp BRD-K38477985 malonoben Protein tyrosine kinase inhibitor EGFR Protein tyrosine kinase inhibitor 7980 -83.97 cp BRD-K26664453 cytochalasin-b Microtubule inhibitor ACTB Microtubule inhibitor 7982 -84 cp BRD-A75368507 demeclocycline Bacterial 30S ribosomal subunit inhibitor Bacterial 30S ribosomal subunit inhibitor 7983 -84.04 cp BRD-A07824748 flavanone 11-beta-HSD1 inhibitor ADORA3, HSD11B1 11-beta-HSD1 inhibitor 7985 -84.17 cp BRD-A84189516 baccatin-III Paclitaxel precursor Paclitaxel precursor 7994 -84.63 cp BRD-K08996725 zolantidine Histamine receptor antagonist Histamine receptor antagonist 7995 -84.68 cp BRD-K34508425 KUC103898N -666 -666 7998 -84.73 cp BRD-K93618743 ipriflavone Bone resorption inhibitor Bone resorption inhibitor 8003 -84.94 cp BRD-K92093830 doxorubicin Topoisomerase inhibitor TOP2A Topoisomerase inhibitor 8004 -84.95 cp BRD-K51816706 oxindole-I VEGFR inhibitor AKT1, KDR, PDPK1, RET VEGFR inhibitor 8005 -84.95 cp BRD-K12994359 valdecoxib Cyclooxygenase inhibitor PTGS2, CA12, CYP2C19 Cyclooxygenase inhibitor 8007 -85 cp BRD-K06753942 nobiletin MEK inhibitor ABCB1, MAP2K1, TYR MEK inhibitor 8012 -85.29 cp BRD-K19540840 saracatinib SRC inhibitor SRC, ABL1, LCK, YES1 SRC inhibitor 8013 -85.32 cp BRD-K97764662 PD-173074 FGFR inhibitor FGFR1, FGFR3, FGFR2, FGFR4, FLT1, FLT4, KDR, PDGFRA, PDGFRB FGFR inhibitor, VEGFR inhibitor 8014 -85.43 cp BRD-K09549677 mibefradil T-type calcium channel blocker CACNA1G, CACNA1H, CACNA1C, CACNA1I, ANO1, CACNA1D, CACNA1F, CACNA1S, CACNB1, CACNB2, CACNB3, CACNB4, CATSPER1, CATSPER2, CATSPER3, CATSPER4, CYP3A5, CYP3A7, SCN2A, SCN4A, SCN5A, SCN9A T-type calcium channel blocker 8015 -85.46 cp BRD-K29950728 clomifene Estrogen receptor antagonist ESR1, AR Estrogen receptor antagonist 8022 -85.59 cp BRD-A55484088 BNTX Opioid receptor antagonist OPRD1, OPRK1, OPRM1 Opioid receptor antagonist 8024 -85.74 cp BRD-A62025033 temsirolimus MTOR inhibitor MTOR, PTEN MTOR inhibitor 8025 -85.77 cp BRD-A18917088 estradiol Contraceptive agent ESR1, ESR2, NR1I2, CYP2B6, CYP2C19, CYP2C8, CYP2E1, CYP3A5, CYP3A7, GPER1, KCNMA1 Contraceptive agent, Estrogen receptor agonist 8027 -85.92 cp BRD-A37052580 physostigmine Acetylcholinesterase inhibitor ACHE, BCHE Acetylcholinesterase inhibitor, Cholinesterase inhibitor 8032 -86 cp BRD-A49765801 fludroxycortide Glucocorticoid receptor agonist NR3C1, SERPINA6 Glucocorticoid receptor agonist 8033 -86.01 cp BRD-K20742498 RS-39604 Serotonin receptor antagonist HTR4 Serotonin receptor antagonist 8035 -86.01 cp BRD-K11129031 gemfibrozil Lipoprotein lipase activator PPARA, CYP2C8, LPL, SLCO1B1, SLCO1B3, SLCO2B1 Lipoprotein lipase activator 8037 -86.08 cp BRD-K84566043 fenpiverinium Acetylcholine receptor antagonist Acetylcholine receptor antagonist 8040 -86.3 cp BRD-K49810818 sorafenib FLT3 inhibitor RET, BRAF, FLT3, KDR, RAF1, FLT1, FLT4, KIT, DDR2, FGFR1, PDGFRB, CYP2B6, CYP2C8, CYP3A5, PDGFB, SLCO1B3 FLT3 inhibitor, KIT inhibitor, PDGFR receptor inhibitor, RAF inhibitor, VEGFR inhibitor, RET tyrosine kinase inhibitor 8042 -86.36 cp BRD-K11630072 carmofur Thymidylate synthase inhibitor TYMS Thymidylate synthase inhibitor 8043 -86.37 cp BRD-K97330509 SRC-kinase-inhibitor-II SRC inhibitor SRC inhibitor 8045 -86.4 cp BRD-A38030642 cyclosporin-a Calcineurin inhibitor PPIA, ABCB11, CAMLG, CYP3A5, CYP3A7, FPR1, PPID, PPIF, PPP3CA, PPP3R2, SLC10A1, SLCO1B1, SLCO1B3 Calcineurin inhibitor 8046 -86.41 cp BRD-A48261811 argatroban Thrombin inhibitor F2, CYP3A5 Thrombin inhibitor 8048 -86.57 cp BRD-K53665955 MK-5108 Aurora kinase inhibitor AURKA, AURKB, AURKC Aurora kinase inhibitor 8049 -86.57 cp BRD-A64297288 amlodipine Calcium channel blocker CACNA1C, CACNA1D, CACNA2D1, ABCG2, CA1, CACNA1B, CACNA1S, CACNA2D3, CACNB1, CACNB2, SMPD1 Calcium channel blocker 8052 -86.72 cp BRD-K17743697 KB-R7943 Sodium/calcium exchange inhibitor SLC8A1, TRPC3, TRPC5, TRPC6 Sodium/calcium exchange inhibitor 8053 -86.76 cp BRD-K88677950 PD-198306 MAP kinase inhibitor MAP2K1, MAP2K2, MAPK1, MAPK3 MAP kinase inhibitor, MEK inhibitor 8056 -86.86 cp BRD-K51018020 VAMA-37 DNA dependent protein kinase inhibitor PRKDC DNA dependent protein kinase inhibitor 8060 -87.12 cp BRD-K43149758 myricetin Androgen receptor agonist PIK3CG, AR, CYP3A4 Androgen receptor agonist, Cytochrome P450 inhibitor 8063 -87.18 cp BRD-K59753975 vindesine Tubulin inhibitor TUBB, TUBB1 Tubulin inhibitor 8064 -87.2 cp BRD-A94413429 NTNCB Neuropeptide receptor antagonist NPY5R Neuropeptide receptor antagonist 8065 -87.27 cp BRD-K62609077 scoulerine Adrenergic receptor antagonist ADRA1D, ADRA2A, GABRA1 Adrenergic receptor antagonist, GABA receptor antagonist, Serotonin receptor antagonist 8066 -87.33 cp BRD-K08924299 palonosetron Serotonin receptor antagonist HTR3A Serotonin receptor antagonist 8067 -87.34 cp BRD-K33583600 isoliquiritigenin Guanylate cyclase activator AKR1B1, HRH2, SIRT1 Guanylate cyclase activator 8068 -87.37 cp BRD-K09991945 GSK-3-inhibitor-II PKC inhibitor GSK3B PKC inhibitor 8070 -87.46 cp BRD-K21971034 OM-137 Aurora kinase inhibitor Aurora kinase inhibitor 8076 -87.61 cp BRD-K18799075 BAY-59-3074 Cannabinoid receptor partial agonist CNR1, CNR2 Cannabinoid receptor partial agonist 8079 -87.67 cp BRD-K82795137 loratadine Histamine receptor antagonist HRH1, CYP2C19, CYP3A5 Histamine receptor antagonist 8080 -87.7 cp BRD-K22009844 phenprobamate Muscle relaxant Muscle relaxant 8082 -87.72 cp BRD-K16664969 GTP-14564 FLT3 inhibitor FLT3, CSF1R, KIT, PDGFRB FLT3 inhibitor, Tyrosine kinase inhibitor 8083 -87.78 cp BRD-K93918653 quizartinib FLT3 inhibitor FLT3, CSF1R, KIT, RET, PDGFRA, PDGFRB FLT3 inhibitor 8086 -87.9 cp BRD-K20285085 fostamatinib SYK inhibitor SYK, FLT3, RET SYK inhibitor 8089 -87.95 cp BRD-A08003242 rhodomyrtoxin-b sodium fluorescein uptake inhibitor sodium fluorescein uptake inhibitor 8091 -88.12 cp BRD-K04548931 pidorubicine Topoisomerase inhibitor TOP2A Topoisomerase inhibitor 8096 -88.27 cp BRD-A28105619 cucurbitacin-i JAK inhibitor JAK2, STAT3 JAK inhibitor, Lipocortin synthesis stimulant, STAT inhibitor 8100 -88.4 cp BRD-K19295594 gossypol BCL inhibitor BCL2, BCL2L1, MCL1, BCL2L2, CTGF, EGF BCL inhibitor, MCL1 inhibitor 8101 -88.44 cp BRD-K85015012 NNC-05-2090 GAT inhibitor SLC6A11, SLC6A12, SLC6A13 GAT inhibitor, GABA uptake inhibitor 8102 -88.53 cp BRD-K72703948 ZM-447439 Aurora kinase inhibitor AURKA, AURKB Aurora kinase inhibitor 8104 -88.58 cp BRD-K15616905 CCCP Mitochondrial oxidative phosphorylation uncoupler Mitochondrial oxidative phosphorylation uncoupler 8107 -88.62 cp BRD-K99818283 PIK-90 PI3K inhibitor PI3K inhibitor 8110 -88.69 cp BRD-A80928489 1-monopalmitin P-glycoprotein inhibitor ABCB1 P-glycoprotein inhibitor 8113 -88.82 cp BRD-K79090631 CGP-60474 CDK inhibitor CDK1, CDK2 CDK inhibitor 8114 -88.87 cp BRD-A72483914 spiroxatrine Serotonin receptor antagonist HTR1A, ADRA1A, ADRA1B, ADRA1D, ADRA2A, ADRA2B, ADRA2C, HTR2B Serotonin receptor antagonist 8117 -89.01 cp BRD-A06352418 terfenadine Histamine receptor antagonist HRH1, KCNH2, CHRM1, CHRM2, CHRM3, CHRM4, CHRM5, KCNH1 Histamine receptor antagonist 8119 -89.11 cp BRD-K53545112 CNQX Glutamate receptor antagonist GRIA1, GRIA2, GRIA3, GRIA4 Glutamate receptor antagonist 8122 -89.14 cp BRD-K15563106 phloretin Sodium/glucose cotransporter inhibitor AQP9, CLCN3, SLC23A1 Sodium/glucose cotransporter inhibitor 8123 -89.25 cp BRD-K20755323 SA-792728 Sphingosine kinase inhibitor SPHK1, VCP Sphingosine kinase inhibitor 8128 -89.33 cp BRD-K28120222 parthenolide NFkB pathway inhibitor ADIPOR2, IKBKB, RELA NFkB pathway inhibitor 8131 -89.44 cp BRD-K69650333 idarubicin Topoisomerase inhibitor TOP2A Topoisomerase inhibitor 8135 -89.6 cp BRD-K60762818 desipramine Tricyclic antidepressant SLC6A2, SLC6A4, ADRA1A, ADRA1B, ADRA1D, ADRA2A, ADRA2B, ADRA2C, ADRB1, ADRB2, CHRM1, CHRM2, CHRM3, CHRM4, CHRM5, DRD2, HRH1, HTR1A, HTR2A, HTR2C, SMPD1 Tricyclic antidepressant 8138 -89.64 cp BRD-K39120595 bithionol Autotaxin inhibitor ESR1, ESR2, MCL1 Autotaxin inhibitor 8144 -89.76 cp BRD-K64052750 gefitinib EGFR inhibitor EGFR, CYP2C19 EGFR inhibitor 8148 -89.82 cp BRD-K03557653 sappanone-a Tyrosinase inhibitor Tyrosinase inhibitor, Melanin inhibitor 8149 -89.9 cp BRD-K59469039 AG-879 Angiogenesis inhibitor ERBB2, KDR, NTRK1 Angiogenesis inhibitor, Tyrosine kinase inhibitor, VEGFR inhibitor 8153 -90.07 cp BRD-A98702003 carbenoxolone 11-beta-HSD1 inhibitor HSD11B1, GJA1, GJA10, GJA3, GJA4, GJA5, GJA8, GJA9, GJB1, GJB2, GJB3, GJB4, GJB5, GJB6, GJB7, GJC1, GJC2, GJC3, GJD2, GJD3, GJD4, GJE1, PANX1, PANX2, PANX3 11-beta-HSD1 inhibitor 8154 -90.1 cp BRD-K68065987 MK-2206 AKT inhibitor AKT1, AKT2, AKT3 AKT inhibitor 8155 -90.13 cp BRD-K66175015 afatinib EGFR inhibitor EGFR, ERBB2, ERBB4 EGFR inhibitor 8157 -90.17 cp BRD-K59058766 chlorprothixene Dopamine receptor antagonist DRD2, CHRM1, CHRM2, CHRM3, CHRM4, CHRM5, DRD1, DRD3, HRH1, HTR2A, HTR2B, HTR2C Dopamine receptor antagonist 8158 -90.22 cp BRD-K06750613 GSK-1059615 PI3K inhibitor PIK3CA, PIK3CG PI3K inhibitor 8160 -90.24 cp BRD-K21672174 RO-28-1675 Glucokinase activator GCK Glucokinase activator 8162 -90.31 cp BRD-K77987382 mebendazole Tubulin inhibitor TUBA1A, TUBB, TUBB4B Tubulin inhibitor 8165 -90.43 cp BRD-K06980535 promazine Dopamine receptor antagonist CHRM5, DRD2, ADRA1A, ADRA1B, ADRA1D, CHRM1, CHRM2, CHRM3, CHRM4, DRD1, DRD3, DRD4, HRH1, HTR2A, HTR2C Dopamine receptor antagonist 8169 -90.57 cp BRD-K50311478 tosyl-phenylalanyl-chloromethyl-ketone Chymotrypsin inhibitor Chymotrypsin inhibitor 8174 -90.72 cp BRD-A79903587 tegafur Thymidylate synthase inhibitor TYMS Thymidylate synthase inhibitor 8177 -90.86 cp BRD-K74501079 azithromycin Bacterial 50S ribosomal subunit inhibitor MLNR Bacterial 50S ribosomal subunit inhibitor 8178 -90.87 cp BRD-A58564983 selamectin Nematocide Nematocide 8179 -90.88 cp BRD-K04210847 tamoxifen Estrogen receptor antagonist ESR1, ESR2, CYP3A5, EBP, GPER1, PRKCA, PRKCB, PRKCD, PRKCE, PRKCG, PRKCI, PRKCQ, PRKCZ Estrogen receptor antagonist, Selective estrogen receptor modulator (SERM) 8185 -91.07 cp BRD-M30523314 vinorelbine Tubulin inhibitor TUBB Tubulin inhibitor 8186 -91.18 cp BRD-K91263825 nortriptyline Tricyclic antidepressant KCNJ10, SLC6A2, SLC6A4, ADRA1A, ADRA1B, ADRA1D, ADRA2A, ADRA2B, ADRA2C, ADRB1, ADRB2, ADRB3, CHRM1, CHRM2, CHRM3, CHRM4, CHRM5, CYP2C19, DRD2, HRH1, HTR1A, HTR2A, HTR2C, HTR6, PGRMC1, PIK3CD, SIGMAR1 Tricyclic antidepressant 8190 -91.29 cp BRD-K64935403 ebelactone-b Lipase inhibitor PNLIP Lipase inhibitor 8193 -91.35 cp BRD-K19220233 JNK-9L JNK inhibitor MAPK8 JNK inhibitor 8196 -91.44 cp BRD-K73293050 WZ-3146 EGFR inhibitor EGFR EGFR inhibitor 8201 -91.51 cp BRD-A17065207 brefeldin-a Protein synthesis inhibitor ARF1, ARFGEF1, ARFGEF2, CYTH2, GBF1, SAR1A Protein synthesis inhibitor, Brefeldin A inhibited guanine nucleotide exchange protein inhibitor, Golgi-specific brefeldin A-resistance guanine nucleotide exchange factor inhibitor 8204 -91.58 cp BRD-K77008974 WYE-354 MTOR inhibitor MTOR MTOR inhibitor 8208 -91.87 cp BRD-K74514084 pazopanib KIT inhibitor KDR, KIT, FLT1, FLT4, PDGFRB, PDGFRA, BRAF, CSF1R, CYP2B6, CYP2C8, CYP2E1, DDR2, FGF1, FGFR1, FGFR3, ITK, SH2B3 KIT inhibitor, PDGFR receptor inhibitor, VEGFR inhibitor 8210 -91.91 cp BRD-K25079130 avrainvillamide-analog-4 nucleophosmin inhibitor NPM1 nucleophosmin inhibitor 8211 -91.99 cp BRD-K41337261 ZM-306416 ABL inhibitor FLT1, KDR, EGFR, FLT4 ABL inhibitor, SRC inhibitor, VEGFR inhibitor 8213 -92 cp BRD-K80431395 triciribine AKT inhibitor AKT1, AKT2, AKT3 AKT inhibitor 8215 -92.02 cp BRD-K31491153 1-phenylbiguanide Serotonin receptor agonist HTR3A, HTR3B Serotonin receptor agonist 8218 -92.06 cp BRD-K52911425 GDC-0941 PI3K inhibitor PIK3CG, PIK3CA, PIK3CB, PIK3CD PI3K inhibitor 8221 -92.12 cp BRD-A02333338 cyclopamine Smoothened receptor antagonist SMO, DHH, IHH, PTCH1 Smoothened receptor antagonist 8222 -92.15 cp BRD-K00312224 PPT Estrogen receptor agonist ESR1 Estrogen receptor agonist 8227 -92.25 cp BRD-K92428232 GSK-461364 PLK inhibitor PLK1 PLK inhibitor 8229 -92.3 cp BRD-K83508485 FK-888 Tachykinin antagonist TACR1, TACR2 Tachykinin antagonist 8233 -92.45 cp BRD-A28746609 paclitaxel Tubulin inhibitor TUBB, NR1I2, ABCB1, BCL2, CYP2C8, MAP2, MAP4, MAPT, TLR4, TUBB1 Tubulin inhibitor 8235 -92.46 cp BRD-K28296557 AKT-inhibitor-IV AKT inhibitor AKT1 AKT inhibitor 8244 -92.6 cp BRD-K88701661 dimercaptosuccinic-acid Chelating agent DNMT1 Chelating agent 8245 -92.6 cp BRD-K30240666 clemastine Histamine receptor antagonist HRH1 Histamine receptor antagonist 8246 -92.62 cp BRD-K94325918 kinetin-riboside Apoptosis stimulant Apoptosis stimulant 8247 -92.63 cp BRD-K66296774 fluvastatin HMGCR inhibitor HMGCR, CYP2C8 HMGCR inhibitor 8252 -92.78 cp BRD-K61401890 deguelin NADH-ubiquinone oxidoreductase (Complex I) inhibitor AKT1, PTGS2 NADH-ubiquinone oxidoreductase (Complex I) inhibitor 8258 -93.02 cp BRD-K13049116 BMS-754807 IGF-1 inhibitor IGF1R, AKT1 IGF-1 inhibitor 8259 -93.04 cp BRD-K63068307 ZSTK-474 PI3K inhibitor PIK3CG, PIK3CA, PIK3CB, PIK3CD PI3K inhibitor 8260 -93.05 cp BRD-A54927599 KF-38789 P-selectin inhibitor SELP P-selectin inhibitor 8262 -93.09 cp BRD-K14618467 IKK-16 IKK inhibitor IKBKB IKK inhibitor 8263 -93.13 cp BRD-K82823804 SA-792987 PKC inhibitor WEE1 PKC inhibitor 8265 -93.18 cp BRD-A84481105 thioridazine Dopamine receptor antagonist DRD1, DRD2, HTR2A, ADRA1A, ADRA1B, CHRNA7, DRD5, HRH1, HTR1A, HTR2C, HTR6, HTR7, KCNH2, MALT1 Dopamine receptor antagonist 8266 -93.2 cp BRD-K05181463 L-741626 Dopamine receptor antagonist DRD2, DRD3, DRD4, HTR2A, HTR2B Dopamine receptor antagonist 8271 -93.31 cp BRD-K61829047 7b-cis Exportin antagonist XPO1 Exportin antagonist 8273 -93.36 cp BRD-A27143604 DPN Estrogen receptor agonist ESR2 Estrogen receptor agonist 8275 -93.37 cp BRD-K82164249 andarine Androgen receptor modulator AR Androgen receptor modulator 8276 -93.37 cp BRD-K82941592 rosuvastatin HMGCR inhibitor HMGCR HMGCR inhibitor 8278 -93.56 cp BRD-A16311756 profenamine Butyrylcholinesterase inhibitor CHRM1, BCHE, CHRM2, GRIN3A Butyrylcholinesterase inhibitor, Cholinergic receptor antagonist 8280 -93.59 cp BRD-A50737080 CGK-733 ATR kinase inhibitor ATM, ATR ATR kinase inhibitor 8282 -93.62 cp BRD-K76840893 RS-17053 Adrenergic receptor antagonist ADRA1A, ADRA1D Adrenergic receptor antagonist 8285 -93.86 cp BRD-A51820102 econazole Bacterial cell wall synthesis inhibitor CYP51A1, NPY1R, NPY2R, TRPM2, TRPV5 Bacterial cell wall synthesis inhibitor, Lanosterol demethylase inhibitor, Sterol demethylase inhibitor 8288 -93.92 cp BRD-K31843556 T-0070907 PPAR receptor antagonist PPARG PPAR receptor antagonist 8290 -94.02 cp BRD-K06543683 bisindolylmaleimide-ix CDK inhibitor SIRT1, AKT1, GSK3B, LCK, LRRK2, MAPK1, MAPK11, MAPK12, MAPK14, MAPK8, PRKCA, ROCK1, RPS6KB1, SIRT2 CDK inhibitor, PKC inhibitor 8291 -94.08 cp BRD-K51290057 SA-792709 Retinoid receptor agonist RARA, RARB Retinoid receptor agonist 8292 -94.1 cp BRD-A43150328 penicillic-acid other antibiotic other antibiotic 8294 -94.15 cp BRD-A15914070 4-hydroxy-2-nonenal Cytotoxic lipid peroxidation product IKBKB Cytotoxic lipid peroxidation product 8296 -94.23 cp BRD-A45498368 WYE-125132 MTOR inhibitor MTOR, PIK3CA MTOR inhibitor 8297 -94.28 cp BRD-K29113274 ketoconazole Sterol demethylase inhibitor AR, CYP19A1, CYP21A2, CYP2C19, CYP3A5, CYP3A7, KCNA10 Sterol demethylase inhibitor 8298 -94.29 cp BRD-K50168500 canertinib EGFR inhibitor EGFR, ERBB2, ERBB4, AKT1 EGFR inhibitor 8303 -94.43 cp BRD-K21565985 xylazine Adrenergic receptor agonist ADRA2A, ADRA2B, ADRA2C Adrenergic receptor agonist 8304 -94.49 cp BRD-K34581968 BMS-536924 IGF-1 inhibitor IGF1R, AKT1, CCNE1, CDK2, CYP3A4, ERBB2, INSR, KDR, LCK, MAPK1, MET, PDGFRA, PDGFRB IGF-1 inhibitor 8305 -94.57 cp BRD-K02275692 cefotiam Bacterial cell wall synthesis inhibitor Bacterial cell wall synthesis inhibitor 8306 -94.57 cp BRD-A68631409 evodiamine ATPase inhibitor TRPV1 ATPase inhibitor, TRPV agonist 8308 -94.59 cp BRD-K53561341 KIN001-220 Aurora kinase inhibitor AURKA Aurora kinase inhibitor 8311 -94.64 cp BRD-K37865504 LY-2183240 FAAH inhibitor FAAH FAAH inhibitor 8313 -94.7 cp BRD-K81169441 cerivastatin HMGCR inhibitor HMGCR, CYP2C8, CYP3A5 HMGCR inhibitor 8314 -94.71 cp BRD-K63195589 tipifarnib Farnesyltransferase inhibitor FNTA, FNTB Farnesyltransferase inhibitor 8315 -94.75 cp BRD-K65910366 KUC103904N -666 -666 8316 -94.75 cp BRD-K05653692 DL-PDMP Glucosyltransferase inhibitor ASAH1, UGCG Glucosyltransferase inhibitor 8325 -94.92 cp BRD-A19195498 trimipramine Norepinephrine reuptake inhibitor SLC6A2, SLC6A4, SLC6A3, ADRA1A, ADRA1B, ADRA2A, ADRA2B, ADRB1, ADRB2, ADRB3, CHRM1, CHRM2, CHRM3, CHRM4, CHRM5, DRD1, DRD2, DRD5, HRH1, HTR1A, HTR1D, HTR2A, HTR2C, HTR3A Norepinephrine reuptake inhibitor, Tricyclic antidepressant 8328 -94.98 cp BRD-K55127134 fluphenazine Dopamine receptor antagonist DRD2, DRD1, CALM1, CHRNA7, DRD5, HRH1, HTR2A, HTR6, HTR7 Dopamine receptor antagonist 8329 -95.06 cp BRD-K51318897 fenbendazole Tubulin inhibitor CYP2C19, CYP2D6, CYP2J2, CYP3A4, TUBB Tubulin inhibitor 8331 -95.14 cp BRD-K85606544 neratinib EGFR inhibitor EGFR, ERBB2, ERBB4, KDR EGFR inhibitor 8332 -95.17 cp BRD-K49294207 BIBU-1361 EGFR inhibitor EGFR EGFR inhibitor 8334 -95.18 cp BRD-K40175214 torin-1 MTOR inhibitor MTOR, PIK3CA MTOR inhibitor, PI3K inhibitor 8341 -95.32 cp BRD-A48570745 ivermectin GABA receptor agonist CHRNA7, GABRB3, GLRA3, P2RX7 GABA receptor agonist 8344 -95.33 cp BRD-K75295174 alisertib Aurora kinase inhibitor AURKA Aurora kinase inhibitor 8347 -95.43 cp BRD-K79131256 albendazole Anthelmintic CYP1A2, CYP2J2, TUBA1A, TUBB, TUBB4B Anthelmintic, Tubulin inhibitor 8348 -95.45 cp BRD-A94543220 bifonazole Sterol demethylase inhibitor CYP2B6 Sterol demethylase inhibitor 8349 -95.46 cp BRD-K73290745 ICI-199441 Opioid receptor agonist OPRK1, CYP2D6, OPRD1, OPRM1, UTS2R Opioid receptor agonist 8350 -95.47 cp BRD-K04887706 AKT-inhibitor-1-2 AKT inhibitor AKT1, AKT2, AKT3 AKT inhibitor 8361 -95.91 cp BRD-K41895714 AS-605240 PI3K inhibitor MAOB, PIK3CA, PIK3CB, PIK3CD, PIK3CG PI3K inhibitor 8362 -95.94 cp BRD-K13725475 rhodomyrtoxin Cytotoxic agent Cytotoxic agent, DNA intercalator 8372 -96.19 cp BRD-K83289131 CAY-10618 NAMPT inhibitor NAMPT NAMPT inhibitor 8377 -96.28 cp BRD-K91623615 ABT-751 Tubulin inhibitor TUBB Tubulin inhibitor 8382 -96.34 cp BRD-K12184916 dactolisib MTOR inhibitor MTOR, PIK3CA, PIK3CG, PIK3CD, ATR, PIK3CB MTOR inhibitor, PI3K inhibitor, Protein kinase inhibitor 8384 -96.36 cp BRD-A73909368 dactinomycin RNA polymerase inhibitor POLR2A RNA polymerase inhibitor 8385 -96.48 cp BRD-K98493452 honokiol AKT inhibitor ALOX5, PTGS1, PTGS2 AKT inhibitor 8387 -96.51 cp BRD-K11558771 droxinostat HDAC inhibitor HDAC6, HDAC8 HDAC inhibitor 8388 -96.56 cp BRD-K93441486 diphemanil Acetylcholine receptor antagonist CHRM3 Acetylcholine receptor antagonist 8389 -96.58 cp BRD-K69932463 AZD-8055 MTOR inhibitor MTOR MTOR inhibitor 8391 -96.6 cp BRD-K95655893 MAZ-51 VEGFR inhibitor FLT4 VEGFR inhibitor 8392 -96.62 cp BRD-K71430621 clobenpropit Histamine receptor antagonist HRH3, HRH4, HRH1, HRH2 Histamine receptor antagonist 8393 -96.64 cp BRD-K89014967 AS-703026 MEK inhibitor MAP2K1, MAP2K2 MEK inhibitor 8399 -96.73 cp BRD-K81209512 AG-494 EGFR inhibitor EGFR EGFR inhibitor, Tyrosine kinase inhibitor 8400 -96.75 cp BRD-A47829399 artesunate DNA synthesis inhibitor DNA synthesis inhibitor 8402 -96.83 cp BRD-K12244279 MEK1-2-inhibitor MEK inhibitor MAP2K1, MAP2K2 MEK inhibitor 8403 -96.91 cp BRD-K22385716 LY-303511 Casein kinase inhibitor CSNK2A1, CSNK2A2, CSNK2B, MTOR Casein kinase inhibitor, MTOR inhibitor, PI3K inhibitor 8405 -96.93 cp BRD-K67868012 PI-103 MTOR inhibitor PIK3CA, PIK3CG, MTOR, PIK3CB, PIK3CD, PRKDC MTOR inhibitor, PI3K inhibitor 8409 -97 cp BRD-A72711497 lasalocid Bacterial permeability inducer Bacterial permeability inducer 8410 -97.05 cp BRD-K68336408 tyrphostin-AG-1478 EGFR inhibitor EGFR, MAPK14 EGFR inhibitor 8413 -97.07 cp BRD-K12502280 TG-101348 FLT3 inhibitor JAK2, FLT3, BRD4, JAK1, JAK3, RET, TYK2 FLT3 inhibitor, JAK inhibitor 8414 -97.08 cp BRD-K70914287 BIBX-1382 EGFR inhibitor EGFR, ERBB2 EGFR inhibitor, Tyrosine kinase inhibitor 8416 -97.11 cp BRD-K53414658 tivozanib VEGFR inhibitor FLT1, FLT4, KDR, KIT, PDGFRA, PDGFRB VEGFR inhibitor 8418 -97.15 cp BRD-K59369769 tozasertib Aurora kinase inhibitor AURKA, AURKB, ABL1, AURKC, BCR, FLT3, JAK2, DDR2, LCK Aurora kinase inhibitor, BCR-ABL kinase inhibitor, FLT3 inhibitor, JAK inhibitor 8420 -97.25 cp BRD-K49865102 PD-0325901 MEK inhibitor MAP2K1, MAP2K2 MEK inhibitor, MAP kinase inhibitor, Protein kinase inhibitor 8423 -97.44 cp BRD-K12539581 nocodazole Tubulin inhibitor HPGDS Tubulin inhibitor 8424 -97.45 cp BRD-K54330070 SB-202190 p38 MAPK inhibitor MAPK14, AKT1, ALOX5, CHEK1, GSK3B, LCK, MAPK1, MAPK11, MAPK12, MAPK8, PRKCA, ROCK1, RPS6KB1, SGK1 p38 MAPK inhibitor 8428 -97.58 cp BRD-K46441700 GR-55562 Serotonin receptor antagonist HTR1B, HTR1D Serotonin receptor antagonist 8429 -97.59 cp BRD-K70881766 solanine Acetylcholinesterase inhibitor Acetylcholinesterase inhibitor 8430 -97.6 cp BRD-K94294671 OSI-027 MTOR inhibitor MTOR MTOR inhibitor 8440 -97.8 cp BRD-K56343971 vemurafenib RAF inhibitor BRAF, CYP2C19, CYP3A4, CYP3A5, RAF1 RAF inhibitor 8442 -97.85 cp BRD-K97365803 PI-828 PI3K inhibitor PI3K inhibitor 8444 -97.88 cp BRD-A72703248 SKF-96365 Calcium channel blocker CYP3A4, TRPC1, PKD2, TRPC3, TRPC4, TRPC5, TRPV2 Calcium channel blocker 8445 -97.92 cp BRD-K68488863 ENMD-2076 FLT3 inhibitor AURKA, FLT3, KDR, PDGFRA, SRC, CSF1R, EPHA1, FGFR1, FGFR2, FGFR3, FLT4, KIT, PTK2 FLT3 inhibitor, VEGFR inhibitor, Aurora kinase inhibitor 8448 -98.03 cp BRD-U25771771 WZ-4-145 EGFR inhibitor CSF1R, DDR1, EGFR, PDGFRA, TIE1 EGFR inhibitor 8451 -98.12 cp BRD-A65013509 oxybutynin Acetylcholine receptor antagonist CHRM3, CHRM1, CHRM2, CHRM4 Acetylcholine receptor antagonist 8455 -98.17 cp BRD-K89997465 chlorpromazine Dopamine receptor antagonist DRD2, ADRA2A, ADRA2B, ADRA2C, DRD1, DRD3, DRD4, DRD5, HRH1, HTR1A, HTR2A, HTR2C, HTR6, HTR7, ADRA1A, ADRA1B, ADRA1D, CALM1, CHRM1, CHRM3, HRH4, HTR2B, KCNH2, KIF11, ORM1, ORM2, SMPD1, TRPC5 Dopamine receptor antagonist 8457 -98.22 cp BRD-A69960130 bromocriptine Dopamine receptor agonist DRD2, ADRA2A, ADRA2B, ADRA2C, DRD1, DRD3, DRD4, DRD5, HTR1A, HTR1B, HTR1D, HTR2A, HTR2B, HTR2C, ADRA1A, ADRA1B, ADRA1D, HTR6, HTR7, PRL Dopamine receptor agonist 8461 -98.27 cp BRD-K54095730 CMPD-1 p38 MAPK inhibitor GNRHR, MAPK14 p38 MAPK inhibitor 8462 -98.27 cp BRD-K57080016 selumetinib MEK inhibitor MAP2K1, MAP2K2 MEK inhibitor 8467 -98.45 cp BRD-K61323504 SB-225002 CC chemokine receptor antagonist CXCR2 CC chemokine receptor antagonist 8468 -98.45 cp BRD-K32828673 chelidonine Tubulin inhibitor Tubulin inhibitor 8470 -98.47 cp BRD-K61951118 FG-7142 GABA benzodiazepine site receptor inverse agonist GABA benzodiazepine site receptor inverse agonist 8472 -98.56 cp BRD-K36529613 PU-H71 HSP inhibitor HSP90AA1 HSP inhibitor 8476 -98.63 cp BRD-A61856038 tremulacin Lipoxygenase inhibitor Lipoxygenase inhibitor 8480 -98.69 cp BRD-K76064317 tyrphostin-AG-1296 FLT3 inhibitor FLT3 FLT3 inhibitor 8482 -98.7 cp BRD-A62182663 YK-4279 Apoptosis stimulant DHX9, EWSR1, FLI1 Apoptosis stimulant, EWS-FLI1 inhibitor 8483 -98.73 cp BRD-K94176593 TWS-119 Glycogen synthase kinase inhibitor GSK3B, JUN, MYC Glycogen synthase kinase inhibitor 8484 -98.73 cp BRD-K00627859 tubastatin-a HDAC inhibitor HDAC6 HDAC inhibitor 8488 -98.77 cp BRD-A19500257 geldanamycin HSP inhibitor HSP90AA1, HSP90AB1 HSP inhibitor 8489 -98.84 cp BRD-K51967704 BIIB021 HSP inhibitor AOX1, HSP90AA1 HSP inhibitor 8492 -98.87 cp BRD-A77050075 heraclenol Vitamin K antagonist Vitamin K antagonist 8495 -98.98 cp BRD-K62353524 DY-131 Estrogen receptor agonist ESR2, ESRRB, ESRRG Estrogen receptor agonist 8496 -99.02 cp BRD-K65503129 HSP90-inhibitor HSP inhibitor HSP90AA1, HSP90AB1 HSP inhibitor 8498 -99.09 cp BRD-K35573744 erbstatin-analog EGFR inhibitor EGFR EGFR inhibitor 8503 -99.19 cp BRD-K06895174 cisapride Serotonin receptor agonist HTR4, KCNH2, CYP2B6, CYP2C8, CYP3A5, CYP3A7, HTR2A, HTR3A Serotonin receptor agonist 8504 -99.22 cp BRD-K41859756 NVP-AUY922 HSP inhibitor HSP90AA1, HSP90AA2, HSP90AB1 HSP inhibitor 8505 -99.22 cp BRD-K51313569 palbociclib CDK inhibitor CDK4, CDK6, CCND3 CDK inhibitor 8512 -99.34 cp BRD-A25004090 erastin Ion channel antagonist VDAC2 Ion channel antagonist 8516 -99.4 cp BRD-K51575138 TPCA-1 IKK inhibitor IKBKB IKK inhibitor 8522 -99.5 cp BRD-K78838262 austricine Hypolipidemic Hypolipidemic 8532 -99.75 cp BRD-K54256913 MK-1775 WEE1 kinase inhibitor WEE1 WEE1 kinase inhibitor