| SMILES,Molecule Name,Target Name,Type | |
| Cc1n[nH]c(C)c1CC(=O)NCc2ccc(Cl)cc2Cl,CHEMBL1210558_active,CP3A4,Active | |
| CN2[C@H](C(=O)NCc1cccc(C(F)(F)F)c1Cl)CCC2=O,CHEMBL1222883_active,CP3A4,Active | |
| Cc4cc(N1CCC(O)CC1)cc5[nH]c(c3c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c3=O)nc45,CHEMBL520419_active,CP3A4,Active | |
| Cc4cc(N1CCOCC1)cc5[nH]c(c3c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c3=O)nc45,CHEMBL401930_active,CP3A4,Active | |
| Cc5cc(N2CCC(NC(=O)C1CC1)CC2)cc6[nH]c(c4c(NC[C@@H](O)c3cccc(Cl)c3)cc[nH]c4=O)nc56,CHEMBL480966_active,CP3A4,Active | |
| Cc5cc(N1CCC2(CC1)OCCO2)cc6[nH]c(c4c(NC[C@@H](O)c3cccc(Cl)c3)cc[nH]c4=O)nc56,CHEMBL482101_active,CP3A4,Active | |
| Fc1ccccc1c5ccc4N=C(c3cccc(n2ccnc2)c3)CC(=O)Nc4c5,CHEMBL260636_active,CP3A4,Active | |
| CC(C)(C)Sc4c(CC(C)(C)C(O)=O)n(Cc2ccc(c1nccs1)cc2)c5ccc(OCc3ccccn3)cc45,CHEMBL539650_active,CP3A4,Active | |
| CN6CCN(C5CCN(c4cc(C)c3nc(c2c(NC[C@@H](O)c1cccc(Cl)c1)cc[nH]c2=O)[nH]c3c4)CC5)CC6,CHEMBL451331_active,CP3A4,Active | |
| C[C@H]6CN(C5CCN(c4cc(C)c3nc(c2c(NC[C@@H](O)c1cccc(Cl)c1)cc[nH]c2=O)[nH]c3c4)CC5)C[C@@H](C)O6,CHEMBL502092_active,CP3A4,Active | |
| COC(=O)Cc4ccc(COc3ccc2cc(C(C(C)N(C)C)n1ccnc1)ccc2c3)cc4,CHEMBL179825_active,CP3A4,Active | |
| CC(=O)N5CCN(c4ccc(OC[C@H]3CO[C@](Cn1ccnc1)(c2ccc(Cl)cc2Cl)O3)cc4)CC5,CHEMBL75_active,CP3A4,Active | |
| Cc5cc(N2CCC(N1CCCC1)CC2)cc6[nH]c(c4c(NC[C@@H](O)c3cccc(Cl)c3)cc[nH]c4=O)nc56,CHEMBL480965_active,CP3A4,Active | |
| CC(C)(C)Sc4c(CC(C)(C)C(O)=O)n(Cc2ccc(c1cccnc1)cc2)c5ccc(OCc3ccccn3)cc45,CHEMBL538632_active,CP3A4,Active | |
| CC(C)(C)Sc4c(CC(C)(C)C(O)=O)n(Cc1ccc(Cl)cc1)c5ccc(OCc3ccc2ccccc2n3)cc45,CHEMBL16596_active,CP3A4,Active | |
| CC(C)S(=O)(=O)n4c(N)nc5ccc(c2[nH]c(c1c(F)cccc1F)nc2c3ccccc3)cc45,CHEMBL364572_active,CP3A4,Active | |
| CC(C)(C)Sc3c(CC(C)(C)C(O)=O)n(Cc1ccc(Cl)cc1)c4ccc(OCc2ccccn2)cc34,CHEMBL38958_active,CP3A4,Active | |
| Cc5n[nH]c6cnc(c3cc(OC[C@@H](N)Cc1c[nH]c2ccccc12)cnc3c4ccoc4)cc56,CHEMBL594933_active,CP3A4,Active | |
| Cc4cc(n1ccnc1)cc5[nH]c(c3c(NCC(O)c2cccc(Cl)c2)cc[nH]c3=O)nc45,CHEMBL231306_active,CP3A4,Active | |
| Clc1ccccc1C(c2ccccc2)(c3ccccc3)n4ccnc4,CHEMBL104_active,CP3A4,Active | |
| Nc4ccc(SC[C@@H]3CO[C@](CCc1ccc(Cl)cc1)(Cn2ccnc2)O3)cc4,CHEMBL70611_active,CP3A4,Active | |
| COCO[C@@H]([C@H](CNC(=O)c1ccccc1)c3ccc2OCOc2c3)[C@@H]4OC(C)(C)O[C@H]4CO[Si](C)(C)C(C)(C)C,CHEMBL1089299_active,CP3A4,Active | |
| CC[C@@H]3CCC[C@H](C2(Cc1ncco1)CC2)N3S(=O)(=O)c4ccc(Cl)cc4,CHEMBL403999_active,CP3A4,Active | |
| COc6cccc(N5C(=O)N(Cc1ccccc1F)C4(CCN(Cc3ccc(n2ccnc2)cc3)CC4)C5=O)c6,CHEMBL230080_active,CP3A4,Active | |
| FC(F)(F)c5ccc(n4ccc(CN3CCC(NC(=O)NC(Cn1ccnc1)c2ccccc2)CC3)c4)cc5,CHEMBL557263_active,CP3A4,Active | |
| COc3ccc(CCCOC(Cn1ccnc1)c2ccc(OC)cc2)cc3,CHEMBL258502_active,CP3A4,Active | |
| C[C@@H](O[C@H]2OCCN(Cc1n[nH]c(=O)[nH]1)[C@H]2c3ccc(F)cc3)c4cc(C(F)(F)F)cc(C(F)(F)F)c4,CHEMBL1471_active,CP3A4,Active | |
| N[C@@H](Cn4c(=O)c(c2ccc(COC(=O)C1CC1)cc2)cn(Cc3c(F)cccc3C(F)(F)F)c4=O)c5ccccc5,CHEMBL508435_active,CP3A4,Active | |
| O=C1C4CCN1c2ccccc2c6cccc(Oc5cc(Cn3cncc3CN4)ccc5C#N)c6,CHEMBL310586_active,CP3A4,Active | |
| Cc5n[nH]c6ccc(c3cc(OC[C@@H](N)Cc1c[nH]c2ccccc12)cnc3c4ccoc4)cc56,CHEMBL593490_active,CP3A4,Active | |
| FC(F)(F)c1ccccc1c3cccc(c2c[nH]cn2)c3,CHEMBL1224524_active,CP3A4,Active | |
| C[C@H]1C[C@@H]1Cn3c(C)c(C)c4cnnc(OCc2ccc(F)cc2)c34,CHEMBL1087758_active,CP3A4,Active | |
| OCCN5CCN(C(=O)OC4([C@H]2CCC[C@@H](c1cc(F)cc(F)c1)N2S(=O)(=O)c3ccc(Cl)cc3)CC4)CC5,CHEMBL239629_active,CP3A4,Active | |
| Clc3ccc(OC(Cn1ccnc1)c2ccc(Cl)cc2Cl)c(Cl)c3,CHEMBL270902_active,CP3A4,Active | |
| CC(C)CC3n1cncc1CN(Cc2ccc(Cl)cc2)S3(=O)=O,CHEMBL1209553_active,CP3A4,Active | |
| CC(C)CC3n1cncc1CN(Cc2cccs2)S3(=O)=O,CHEMBL1209623_active,CP3A4,Active | |
| C[C@H](N3Cc1cncn1C(CC2(C)COC2)S3(=O)=O)c4ccc(Cl)cc4,CHEMBL1209628_active,CP3A4,Active | |
| C[C@H](N3Cc1cncn1C(CC2CC2)S3(=O)=O)c4ccc(Cl)cc4,CHEMBL1208801_active,CP3A4,Active | |
| C[C@H](N3Cc1cncn1C(C[C@H](O)c2ccccc2)S3(=O)=O)c4ccc(Cl)cc4,CHEMBL1209696_active,CP3A4,Active | |
| CC(C)Cn4c(=O)n(C)c(=O)c5c(C(=O)N1CC[C@@H](O)C1)c(Cc2cncc3ccccc23)sc45,CHEMBL207100_active,CP3A4,Active | |
| Cc4cnc(CNc3cc(c1ccccc1)nc(c2ccncc2)n3)nc4,CHEMBL271121_active,CP3A4,Active | |
| Cc4cc(n1ccnc1)cc5[nH]c(c3c(NCc2ccccn2)cc[nH]c3=O)nc45,CHEMBL397666_active,CP3A4,Active | |
| Oc6ccc(c5cc(=O)c4c(O)cc(O)c(c3c(c1ccc(O)cc1)oc2cc(O)cc(O)c2c3=O)c4o5)cc6,CHEMBL515252_active,CP3A4,Active | |
| N[C@@H]4CCCN(c2nc1c(Cl)cc(Cl)cc1c(=O)n2Cc3ccccc3C#N)C4,CHEMBL390529_active,CP3A4,Active | |
| O=C(Nc2ccc(c1ccncc1)cc2C3=CCCCC3)c4nc(C#N)c[nH]4,CHEMBL1172346_active,CP3A4,Active | |
| CCN(CC(CC(=O)OC)NC(=O)OCc1cncs1)CC(CC(=O)OC)NC(=O)OCc2nccs2,CHEMBL1081514_active,CP3A4,Active | |
| O=C(N[C@H](CNC[C@@H](Cc1ccccc1)NC(=O)OCc2nccs2)Cc3ccccc3)OCc4cncs4,CHEMBL1079896_active,CP3A4,Active | |
| CCC(c2ccc(c1ccc(O)c(Cl)c1)cc2)n3ccnc3,CHEMBL541941_active,CP3A4,Active | |
| CC(C)C[C@@H](N)C(=O)O[C@H](C)COc4cn3ncnc(Oc2ccc1[nH]c(C)cc1c2F)c3c4C,CHEMBL408443_active,CP3A4,Active | |
| COc5cc4nccc(Oc3ccc2c(C(=O)Nc1ccncc1)cccc2c3)c4cc5OC,CHEMBL272693_active,CP3A4,Active | |
| COc4cccc(c3cn(Cc1c(F)cccc1C(F)(F)F)c(=O)n(C[C@H](N)c2ccccc2)c3=O)c4F,CHEMBL434936_active,CP3A4,Active | |
| Cc5n[nH]c6ccc(c3cc(OC[C@@H](N)Cc1c[nH]c2ccccc12)cnc3c4ccoc4)nc56,CHEMBL596073_active,CP3A4,Active | |
| FC(F)(F)c2nc(Nc1cccc(Cl)c1)ncc2C(=O)NCc3ccncc3,CHEMBL375955_active,CP3A4,Active | |
| O=S(=O)(Nc3ccc2CCN(Cc1cc[nH]n1)CCc2c3)c5ccc(c4ccccc4)cc5,CHEMBL1078207_active,CP3A4,Active | |
| C[C@@H](Oc4cc(n2cnc3cc(c1ccncc1)ccc23)sc4C(N)=O)c5ccccc5Cl,CHEMBL1209674_active,CP3A4,Active | |
| CCCCNc2nccc3[nH]c1ccccc1c23,CHEMBL497171_active,CP3A4,Active | |
| CCCCOc2ccc(n1cncc1C)cc2,CHEMBL358880_active,CP3A4,Active | |
| CCc1nc(N)nc(N)c1c4ccc3OC(C)(c2cccc(C(F)(F)F)c2)C(=O)N(CCNC(C)=O)c3c4,CHEMBL393363_active,CP3A4,Active | |
| CC(C)C[C@H](N)c1ccccc1N4CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N3CCCC3=O)CC4,CHEMBL391914_active,CP3A4,Active | |
| COCC(=O)O[C@]4(CCN(C)CCCc2nc1ccccc1[nH]2)CCc3cc(F)ccc3[C@@H]4C(C)C,CHEMBL45816_active,CP3A4,Active | |
| CCCCCCCC4O[C@H](CCC(\C)=C\COc2c1ccoc1cc3oc(=O)ccc23)C(C)(C)O4,CHEMBL1078189_active,CP3A4,Active | |
| Clc3ccc(C2(Cn1cncn1)CC(Br)CO2)c(Cl)c3,CHEMBL271579_active,CP3A4,Active | |
| CC(=O)O[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)C=C5CCN4Cc2cc1OCOc1cc2[C@@H]3[C@@H]45,CHEMBL564408_active,CP3A4,Active | |
| Fc4ccc(c3ccc2C(c1ccncc1)=CCc2c3)cc4,CHEMBL498662_active,CP3A4,Active | |
| NC(C(=O)N3CCC(Nc2ccc1[nH]ncc1c2)CC3)c4cccc(Cl)c4,CHEMBL392609_active,CP3A4,Active | |
| Clc3ccc(COC(Cn1ccnc1)c2ccc(Cl)cc2Cl)c(Cl)c3,CHEMBL91_active,CP3A4,Active | |
| Clc4cccc(Cc2cc(Cc1ccc(=O)[nH]n1)cc3ccoc23)c4,CHEMBL504522_active,CP3A4,Active | |
| NC(=O)c5cccc6n(Cc1ccncc1)c4c(N3CCN(CCc2ccc(F)c(F)c2)CC3)ncnc4c56,CHEMBL283255_active,CP3A4,Active | |
| COc5cccc(CCN(Cc1ccccc1c3ccc(CN2C[C@@H](C)N[C@@H](C)C2)cc3)C(=O)NC4CCCCC4)c5,CHEMBL501315_active,CP3A4,Active | |
| Cc5n[nH]c6ncc(c3cc(OC[C@@H](N)Cc1c[nH]c2ccccc12)cnc3c4ccoc4)cc56,CHEMBL596072_active,CP3A4,Active | |
| COC(=O)C2=C(Cn1ccnc1)NC(C)=C(C#N)C2c3ccc(F)cc3Cl,CHEMBL1215552_active,CP3A4,Active | |
| CC(C)c5c(c2nnc(N1CCN(C)CC1)o2)cn6ncnc(Nc4cc(C(=O)NC3CC3)c(F)cc4F)c56,CHEMBL429845_active,CP3A4,Active | |
| C[C@@H](Oc5cc(n3cnc4cc(c2cnn(CCN1CCN(C)CC1)c2)ccc34)sc5C(N)=O)c6ccccc6Cl,CHEMBL1209016_active,CP3A4,Active | |
| C[C@@H](Oc4cc(n2cnc3cc(c1cnn(C)c1)ccc23)sc4C(N)=O)c5ccccc5Cl,CHEMBL1209842_active,CP3A4,Active | |
| COc6cccc(Cn4c(=O)n(C3CCN(C(=O)C2CCN(Cc1ccncc1)CC2)CC3)c5ccccc45)c6,CHEMBL1223002_active,CP3A4,Active | |
| Cc1cc(C(N)=O)c5c(n1)n(C)c4c(N3CCN(CCc2ccc(F)c(F)c2)CC3)ncnc45,CHEMBL287400_active,CP3A4,Active | |
| CCC3COC(Cn1cncn1)(c2ccc(Cl)cc2Cl)O3,CHEMBL270271_active,CP3A4,Active | |
| CC(C(c2ccc1cc(OCC(C)(C)C)ccc1c2)n3ccnc3)N(C)C,CHEMBL180805_active,CP3A4,Active | |
| Clc3ccc(Cn2cc(c1ccncc1)cn2)c(Cl)c3,CHEMBL271580_active,CP3A4,Active | |
| COCO[C@@H]([C@H](CNC(=O)OC(C)(C)C)c2ccc1OCOc1c2)[C@@H]3OC(C)(C)O[C@H]3CO[Si](C)(C)C(C)(C)C,CHEMBL1089300_active,CP3A4,Active | |
| Cc5cccc(NC(=O)Nc4ccc(c2csc3c(c1cccnc1)cnc(N)c23)cc4)c5,CHEMBL427267_active,CP3A4,Active | |
| NC(C(=O)N3CCN(c2ccc1[nH]ncc1c2)CC3)c4cccc(Cl)c4,CHEMBL240645_active,CP3A4,Active | |
| C(COc2ccc(n1ccnc1)cc2)Cc3ccccn3,CHEMBL115876_active,CP3A4,Active | |
| C4c2ccc(Cn1ccnc1)cc2c5[nH]nc(c3ccsc3)c45,CHEMBL212084_active,CP3A4,Active | |
| Cn4c1cccc(C(N)=O)c1c5ncnc(N3CCN(CCc2ccc(F)c(F)c2)CC3)c45,CHEMBL26678_active,CP3A4,Active | |
| CC3OC(Cc2ccc(Cl)c(Oc1cc(Cl)cc(C#N)c1)c2F)=NNC3=O,CHEMBL467187_active,CP3A4,Active | |
| COc5cccc([C@@H]4CCO[P@](=O)(COc2cc(C)c(C)c3Cc1scnc1c23)O4)c5,CHEMBL1097507_active,CP3A4,Active | |
| CCN(C[C@H](Cc1ccccc1)NC(=O)OCc2cnco2)C[C@H](Cc3ccccc3)NC(=O)OCc4ncco4,CHEMBL1081693_active,CP3A4,Active | |
| COC(c1ccc(Cl)cc1)(c4ccc3n(C)c(=O)cc(c2c(F)cccc2F)c3c4)c5cncn5C,CHEMBL1097187_active,CP3A4,Active | |
| COc6cccc(N5C(=O)N(Cc1ccccc1F)C4(CCN(Cc3ccc(c2ccncc2)cc3)CC4)C5=O)c6,CHEMBL266738_active,CP3A4,Active | |
| CC(C)[C@@H]2CCC[C@H](COC(=O)N1CCN(CCO)CC1)N2S(=O)(=O)c3ccc(Cl)cc3,CHEMBL248880_active,CP3A4,Active | |
| OCCN4CCN(C(=O)OC[C@H]2CCC[C@@H](C1CC1)N2S(=O)(=O)c3ccc(Cl)cc3)CC4,CHEMBL401122_active,CP3A4,Active | |
| Clc6ccc(S(=O)(=O)N2[C@H](C1CC1)CCC[C@@H]2C5(Cc4nc(CN3CCCC3)no4)CC5)cc6,CHEMBL254080_active,CP3A4,Active | |
| CN(Cc5noc(CC4([C@H]2CCC[C@@H](C1CC1)N2S(=O)(=O)c3ccc(Cl)cc3)CC4)n5)C(C)(C)CO,CHEMBL252404_active,CP3A4,Active | |
| CC[C@@H]3CCC[C@H](C2(Cc1nc(CN(C)C(C)(C)CO)no1)CC2)N3S(=O)(=O)c4ccc(Cl)cc4,CHEMBL252001_active,CP3A4,Active | |
| CC[C@@H]3CCC[C@H](C2(CC(=O)N1CCNCC1)CC2)N3S(=O)(=O)c4ccc(Cl)cc4,CHEMBL252211_active,CP3A4,Active | |
| Cc5cc4cc(NC(\N[C@H]2CCCCN(CC(=O)N1CCCC1)C2=O)=N/C(=O)c3cccnc3)ccc4o5,CHEMBL567904_active,CP3A4,Active | |
| Fc3cc(N2C[C@H](Cn1ccnn1)OC2=O)ccc3c5ccc(C(=O)Cn4ccnc4)nc5,CHEMBL230964_active,CP3A4,Active | |
| CC(C)c5c(c2nnc(N1CCC(N)CC1)o2)cn6ncnc(Nc4cc(C(=O)NC3CC3)c(F)cc4F)c56,CHEMBL271864_active,CP3A4,Active | |
| Cc5cc(c1ncsc1Cl)c4cccc(OCc2c(C)ccnc2Cn3cccc(C(F)(F)F)c3=O)c4n5,CHEMBL549534_active,CP3A4,Active | |
| Oc2[nH]c1ccccc1c2N=NC(=O)CN(c3ccc(Cl)cc3)S(=O)(=O)c5ccc(NCCN4CCOCC4)cc5,CHEMBL371708_active,CP3A4,Active | |
| CC(C)(C)c4ccc(C(O)CCCN3CCC(C(O)(c1ccccc1)c2ccccc2)CC3)cc4,CHEMBL17157_active,CP3A4,Active | |
| C[C@H]3CN(S(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C)CCN3c4ncc(C(F)(F)F)cc4F,CHEMBL480016_active,CP3A4,Active | |
| CC(Cn1ccnc1)NC(=O)NC4CCN(Cc3ccn(c2ccc(C(F)(F)F)cc2)c3)CC4,CHEMBL549930_active,CP3A4,Active | |
| C(COc2ccc(n1ccnc1)cc2)Cc3ccncc3,CHEMBL113227_active,CP3A4,Active | |
| CCN(C[C@H](Cc1ccccc1)NC(=O)OCc2cnc[nH]2)C[C@H](Cc3ccccc3)NC(=O)OCc4ncc[nH]4,CHEMBL1079712_active,CP3A4,Active | |
| CC5=C(C(=O)Nc2ccc1[nH]ncc1c2)C(c3ccc(F)cc3)N=C(c4ccccc4)N5,CHEMBL519680_active,CP3A4,Active | |
| Oc4ccc(c3ccc2C(c1ccncc1)=CCCc2c3)cc4O,CHEMBL526081_active,CP3A4,Active | |
| Cc5cnc(c4cc(C)c3nc(c2c(NCC(O)c1cccc(Cl)c1)cc[nH]c2=O)[nH]c3c4)[nH]5,CHEMBL231620_active,CP3A4,Active | |
| COc3cc(OC)cc(c2cc(NC(C)=O)nc(n1nc(C)cc1C)n2)c3,CHEMBL487569_active,CP3A4,Active | |
| CC(C)(CO)N5CCN(C(=O)OC4([C@H]2CCC[C@@H](C1CC1)N2S(=O)(=O)c3ccc(Cl)cc3)CC4)CC5,CHEMBL393941_active,CP3A4,Active | |
| CC[C@@H]3CCC[C@H](C2(OC(=O)N1CCN(CCO)CC1)CC2)N3S(=O)(=O)c4ccc(Cl)cc4,CHEMBL240070_active,CP3A4,Active | |
| FC(F)(F)c1ccccc1OC4CCN(c3ccc(n2ccnc2)nn3)CC4,CHEMBL595154_active,CP3A4,Active | |
| Cc5n[nH]c6ncc(c3cc(OC[C@@H](N)Cc1c[nH]c2ccccc12)cnc3c4ccoc4)nc56,CHEMBL596290_active,CP3A4,Active | |
| CC(C)Nc5nnc(c4cn3ncnc(Nc2cc(C(=O)NC1CC1)c(F)cc2F)c3c4C(C)C)o5,CHEMBL407708_active,CP3A4,Active | |
| Oc7ccc6[nH]cc(C[C@H](NC(=O)c4ccc3n(C1CCCCC1)c(c2ccoc2)nc3c4)c5cscn5)c6c7,CHEMBL376487_active,CP3A4,Active | |
| Clc4cccc(Oc2cc(Cc1ccc(=O)[nH]n1)cc3ccoc23)c4,CHEMBL513868_active,CP3A4,Active | |
| C(COc2ccc(n1ccnc1)cc2)Cc3cccnc3,CHEMBL262968_active,CP3A4,Active | |
| COC(=O)C2=C(C)NC(C)=C(C(=O)OCCN(C)Cc1ccccc1)C2c3cccc(N(=O)=O)c3,CHEMBL1484_active,CP3A4,Active | |
| Clc3cncc(Oc1ncc(Cl)cc1NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c3,CHEMBL1169994_active,CP3A4,Active | |
| C[C@H]3CN(CC2(c1ccncc1)CC2)CCN3S(=O)(=O)c4ccc(C(C)(O)C(F)(F)F)cc4,CHEMBL522964_active,CP3A4,Active | |
| CCOc3cc(C[C@H]1COC(O)[C@@H]1Cc2cc(OC)c(OC)c(OC)c2)cc4OCOc34,CHEMBL480295_active,CP3A4,Active | |
| C[C@H]([C@@H](c2ccc1cc(OCC(C)(C)C(O)=O)ccc1c2)n3ccnc3)N(C)C4CCCCC4,CHEMBL207411_active,CP3A4,Active | |
| Cc4cc(N1CCN(CCCF)CC1)cc5[nH]c(c3c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c3=O)nc45,CHEMBL1094458_active,CP3A4,Active | |
| Nn1nnc2ccccc12,CHEMBL101168_active,CP3A4,Active | |
| COc1ccccc1COCCCOc5ccc(N4[C@@H](COc3ccc2CCCN(CCCO)c2c3)CNCC4=O)cc5,CHEMBL372416_active,CP3A4,Active | |
| CC(C)=C(c1ccncc1)c3ccc(c2ccc(O)c(O)c2)cc3,CHEMBL1172847_active,CP3A4,Active | |
| CC(C)(C)c2ccc(SCCc1c[nH]cn1)cc2,CHEMBL1098230_active,CP3A4,Active | |
| COCCN(CC(=O)N2CCCC(c1ccccc1)C2CN3CCOCC3)c4ccc(Cl)c(Cl)c4,CHEMBL402813_active,CP3A4,Active | |
| Nc2c(C(=O)NCC(O)(CN(CCF)C(=O)c1c(F)cccc1F)C(F)(F)F)cnn2c3ccc(F)cc3,CHEMBL464245_active,CP3A4,Active | |
| C[C@@H]5CN(Cc4ccc(c1ccccc1C(=O)N3CCC(Cc2ccc(F)cc2)CC3)cc4)C[C@H](C)N5,CHEMBL479418_active,CP3A4,Active | |
| Cc3cc(c2ccc(c1cccc(O)c1)s2)ccc3O,CHEMBL570596_active,CP3A4,Active | |
| ONC(=O)c4ccc(c3ccn(CCNCc2ccc1OCOc1c2)n3)s4,CHEMBL217716_active,CP3A4,Active | |
| Oc3cccc(c2ccc(Cc1ccncc1)cc2)c3,CHEMBL1172882_active,CP3A4,Active | |
| Cc1c(O)cccc1C(=O)N[C@H](CSc2ccccc2)[C@H](O)CN4C[C@H]3CCCC[C@H]3C[C@H]4C(=O)NC(C)(C)C,CHEMBL1159655_active,CP3A4,Active | |
| Cn1cncc1[C@@](N)(c2ccc(Cl)cc2)c6ccc5n(C)c(=O)cc(c3cccc4ccccc34)c5c6,CHEMBL470996_active,CP3A4,Active | |
| FC(F)(F)c5ccc(n4ccc(CN3CCC(NC(=O)NC(Cn1cncn1)c2ccccc2)CC3)c4)cc5,CHEMBL557262_active,CP3A4,Active | |
| CCOC(=O)[C@H](C)NP(=O)(COc2cc(C)c(C)c3Cc1scnc1c23)N[C@@H](C)C(=O)OCC,CHEMBL1096789_active,CP3A4,Active | |
| O=C1C3CCN1c5cccc6ccc(Oc4cc(Cn2cncc2CCN3)ccc4C#N)cc56,CHEMBL80702_active,CP3A4,Active | |
| Clc4cccc(C(=O)c2cc(Cc1ccc(=O)[nH]n1)cc3ccoc23)c4,CHEMBL446793_active,CP3A4,Active | |
| C(Oc2ccc(n1ccnc1)cc2)c3ccccn3,CHEMBL112592_active,CP3A4,Active | |
| O[C@H]4C=C2[C@@H](NC(=O)c3c(O)c1OCOc1cc23)[C@H](O)[C@@H]4O,CHEMBL98745_active,CP3A4,Active | |
| Oc4ccc(c3ccc2C(c1ccncc1)CCCc2c3)cc4O,CHEMBL522228_active,CP3A4,Active | |
| Clc5ccc4sc(=O)n(CC(=O)N2CCCC(c1ccccc1)C2CN3CCOCC3)c4c5,CHEMBL255460_active,CP3A4,Active | |
| NCC3CCC(CNc2nc(NCc1ccccc1Cl)ncc2N(=O)=O)CC3,CHEMBL246970_active,CP3A4,Active | |
| CC[C@@H]4CCC[C@H](C3(Cc2nc(CN1CCCC1)no2)CC3)N4S(=O)(=O)c5ccc(Cl)cc5,CHEMBL252200_active,CP3A4,Active | |
| Cc5nc4c2N[C@H](c1ccccc1)CCc2c(n3cncn3)cn4c5C,CHEMBL498252_active,CP3A4,Active | |
| CN5CCC(CCOc4cn3ncnc(Oc2ccc1[nH]c(C)cc1c2F)c3c4C)CC5,CHEMBL206145_active,CP3A4,Active | |
| O[C@@H]5[C@@H](COC(=O)\C=C\c1ccc(O)cc1)O[C@@H](Oc4c(c2ccc(O)cc2)oc3cc(O)cc(O)c3c4=O)[C@H](O)[C@H]5O,CHEMBL266564_active,CP3A4,Active | |
| Nc3nccc(Oc2ccc(NC(=O)NC(=O)Cc1ccc(F)cc1)cc2F)c3C#CCO,CHEMBL500157_active,CP3A4,Active | |
| Cc3cccc4[nH]c(c2c(NCC(O)c1cccc(Cl)c1)cc[nH]c2=O)nc34,CHEMBL230309_active,CP3A4,Active | |
| Clc5cc4OCC(=O)N(CC(=O)N2CCCC(c1ccccc1)C2CN3CCOCC3)c4cc5Cl,CHEMBL402520_active,CP3A4,Active | |
| CCN(C[C@H](Cc1ccccc1)NC(=O)OCc2cccs2)C[C@H](Cc3ccccc3)NC(=O)OCc4cccs4,CHEMBL1080603_active,CP3A4,Active | |
| N[C@@H]5CCCN(c3nc2cc(N1CCOCC1)c(F)cc2c(=O)n3Cc4ccccc4C#N)C5,CHEMBL227356_active,CP3A4,Active | |
| Cc5cc(C)n(CC(NC(=O)NC3CCN(Cc2ccn(c1ccc(C(F)(F)F)cc1)c2)CC3)c4ccccc4)n5,CHEMBL539475_active,CP3A4,Active | |
| COC(=O)C2=C(Cn1cncn1)NC(C)=C(C#N)C2c3ccc(F)cc3Cl,CHEMBL1215621_active,CP3A4,Active | |
| CC(C)S(=O)(=O)n3c(N)nc4ccc(c1[nH]cnc1c2ccc(F)cc2)cc34,CHEMBL192850_active,CP3A4,Active | |
| CC(C)N(C)[C@H](C)[C@@H](c3ccc2cc(OCC1(C(O)=O)CCCC1)ccc2c3)n4ccnc4,CHEMBL207304_active,CP3A4,Active | |
| COc3cc(C[C@@H](CO)[C@H](CO)Cc2ccc1OCOc1c2)cc(OC)c3OC,CHEMBL469916_active,CP3A4,Active | |
| Oc3cccc(c2cnc(c1cccc(O)c1)s2)c3,CHEMBL456379_active,CP3A4,Active | |
| CCCCc4ccc(S(=O)(=O)Nc3ccc2CCN(Cc1cc[nH]n1)CCc2c3)cc4,CHEMBL1080046_active,CP3A4,Active | |
| CC(C)(C)OC(=O)N[C@H](Cc1cccc(F)c1C(F)(F)F)C(=O)NCc3nc2cccnc2n3C5(c4ccccc4)CC5,CHEMBL252240_active,CP3A4,Active | |
| COc5ccc(N4[C@H](C(O)=O)[C@H](Cc3cccc(OCCc2nc(c1ccccc1)oc2C)c3)C4=O)cc5,CHEMBL271240_active,CP3A4,Active | |
| CC(C1CC1)n3c(CNC(=O)[C@@H](Cc2ccccc2C(F)(F)F)NC(=O)OC(C)(C)C)nc4cccnc34,CHEMBL253883_active,CP3A4,Active | |
| CCCCOc2ccc(c1c[nH]cn1)cc2,CHEMBL151170_active,CP3A4,Active | |
| CCN(CCc1ccccc1)C(=O)c2ccccc2c4ccc(CN3C[C@H](C)N[C@H](C)C3)cc4,CHEMBL465289_active,CP3A4,Active | |
| Cc5cc4cc(NC(\N[C@H]2CCCCN(CC(=O)N1CCCC1)C2=O)=N/C(=O)c3cccn(=O)c3)ccc4o5,CHEMBL565383_active,CP3A4,Active | |
| COc4ccc3cc2c1cc(OC)c(OC)cc1CC[n+]2cc3c4OC,CHEMBL274189_active,CP3A4,Active | |
| CC(C)(C)OC(=O)N[C@H](Cc1ccccc1C(F)(F)F)C(=O)NCc3nc2cccnc2n3Cc4ccccc4,CHEMBL254497_active,CP3A4,Active | |
| CC(C)(C)OC(=O)N[C@H](Cc1ccccc1C(F)(F)F)C(=O)NCc3nc2cccnc2n3CC(F)(F)C(F)(F)F,CHEMBL252632_active,CP3A4,Active | |