| SMILES,Molecule Name,Target Name,Type |
| CCCCCN(C)CNCC(=O)[C@H](CC(=O)O)NC(=O)C(CC)n1cc(C(C)(C)C)nc(NCc2nonc2C)c1=O,CHEMBL180669_active,CASP3,Active |
| CC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1cccc(NC(=O)[C@H](CC(=O)O)NC(C)=O)c1=O,CHEMBL178116_active,CASP3,Active |
| COc1ccc(S(C)(=O)=O)cc1CC(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)C(C)C,CHEMBL425699_active,CASP3,Active |
| CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCc2nonc2C)c1=O,CHEMBL433771_active,CASP3,Active |
| CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCc2cncs2)c1=O,CHEMBL180273_active,CASP3,Active |
| CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CNCN1CCc2ccccc2C1)n1ccnc(NCc2nonc2C)c1=O,CHEMBL360788_active,CASP3,Active |
| CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CCCc1ccccc1)n1cc(C(C)(C)C)nc(NCc2nonc2C)c1=O,CHEMBL180623_active,CASP3,Active |
| CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CN[C@@H](C)c1ccccc1)n1ccnc(NCc2nonc2C)c1=O,CHEMBL181274_active,CASP3,Active |
| CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CNCN1Cc2ccccc2C1)n1ccnc(NCc2nonc2C)c1=O,CHEMBL367356_active,CASP3,Active |
| CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCCn2cncn2)c1=O,CHEMBL181948_active,CASP3,Active |
| CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CNCN1CCCCC1)n1cc(C(C)(C)C)nc(NCc2nonc2C)c1=O,CHEMBL434147_active,CASP3,Active |
| CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CNCN1C2CCC1CC2)n1ccnc(NCc2nonc2C)c1=O,CHEMBL178674_active,CASP3,Active |
| CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCc2nccs2)c1=O,CHEMBL181768_active,CASP3,Active |
| CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CNCN1CCCC1)n1ccnc(NCc2nonc2C)c1=O,CHEMBL424789_active,CASP3,Active |
| CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCc2cccs2)c1=O,CHEMBL361613_active,CASP3,Active |
| CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCc2ccon2)c1=O,CHEMBL362191_active,CASP3,Active |
| CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCc2nc(C)no2)c1=O,CHEMBL360956_active,CASP3,Active |
| CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCc2cc(C)no2)c1=O,CHEMBL180763_active,CASP3,Active |
| CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCCCc2nc(C)no2)c1=O,CHEMBL361983_active,CASP3,Active |
| CCC(C(=O)N[C@@H](CC(=O)O)C(=O)c1ncc(-c2ccccc2)o1)n1ccnc(NCc2nonc2C)c1=O,CHEMBL179066_active,CASP3,Active |
| CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCCCOC)c1=O,CHEMBL359643_active,CASP3,Active |
| CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCc2noc(C)n2)c1=O,CHEMBL178280_active,CASP3,Active |
| CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCCc2nc(C)no2)c1=O,CHEMBL360915_active,CASP3,Active |
| CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCCn2cccn2)c1=O,CHEMBL447233_active,CASP3,Active |
| CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(Nc2ccc3sc(C)nc3c2)c1=O,CHEMBL181775_active,CASP3,Active |
| CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CNCN1CCOCC1)n1cc(C(C)(C)C)nc(NCc2nonc2C)c1=O,CHEMBL178775_active,CASP3,Active |
| CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCC2COc3ccccc3O2)c1=O,CHEMBL362213_active,CASP3,Active |
| CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCCCN2CCCC2=O)c1=O,CHEMBL182103_active,CASP3,Active |
| O=C1C(=O)N(Cc2ccc(OCCF)cc2)c2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)cc21,CHEMBL213759_active,CASP3,Active |
| CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCc2nnc(-c3ccccc3)o2)c1=O,CHEMBL220238_active,CASP3,Active |
| O=C1C(=O)N(Cc2cn(CCF)nn2)c2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccc(F)cc3F)cc21,CHEMBL456799_active,CASP3,Active |
| CC(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N[C@H]1CC(=O)OC1O)C(C)C,CHEMBL92780_active,CASP3,Active |
| COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2C,CHEMBL216819_active,CASP3,Active |
| O=C1C2=NCC3(CCC3)CN2c2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)cc21,CHEMBL595807_active,CASP3,Active |
| COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1,CHEMBL387041_active,CASP3,Active |
| CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C=O)CC(=O)O)C(C)C,CHEMBL417149_active,CASP3,Active |
| CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)OCc1ccccc1)C(=O)N[C@H]1CC(=O)OC1O,CHEMBL100588_active,CASP3,Active |
| O=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(S(=O)(=O)N3CCC[C@H]3COC3CCOCC3)cc21,CHEMBL456593_active,CASP3,Active |
| O=C1C2=NCC3(CCCC3)CN2c2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)cc21,CHEMBL594384_active,CASP3,Active |
| CN1C(=O)C(=O)c2cc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)ccc21,CHEMBL293034_active,CASP3,Active |
| CC1(C)CN=C2C(=O)c3cc(S(=O)(=O)N4CCC[C@H]4COc4cccnc4)ccc3N2C1,CHEMBL606626_active,CASP3,Active |
| COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C1=NCC3(CCC3)CN12,CHEMBL603644_active,CASP3,Active |
| O=C1C(=O)N(Cc2ccc(Br)cc2)c2ccc(S(=O)(=O)N3CCC[C@H]3COc3cccnc3)cc21,CHEMBL227036_active,CASP3,Active |
| CC(C)CC(NC(=O)[C@H](CCC(=O)O)Oc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O,CHEMBL101545_active,CASP3,Active |
| Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2c2c1C(=O)N(c1c(C)nn(C)c1C)C2=O,CHEMBL360360_active,CASP3,Active |
| O=C1C(=O)N(Cc2ccncc2)c2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)cc21,CHEMBL300369_active,CASP3,Active |
| CC1(C)CN=C2C(=O)c3cc(S(=O)(=O)N4CCC[C@H]4CN4CCOCC4)ccc3N2C1,CHEMBL593222_active,CASP3,Active |
| CC(C)[C@H](OC(=O)Nc1cc(Cl)ccc1Cl)C(=O)NC(CC(=O)O)C(=O)CF,CHEMBL181241_active,CASP3,Active |
| CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CCCc1ccccc1)n1cc(C(C)(C)C)nc(Nc2nnn[nH]2)c1=O,CHEMBL248508_active,CASP3,Active |
| O=C1C(=O)N(CC2CCCCC2)c2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)cc21,CHEMBL64895_active,CASP3,Active |
| O=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccncn3)cc21,CHEMBL515506_active,CASP3,Active |
| O=C1C(=O)N(Cc2cccc(F)n2)c2ccc(S(=O)(=O)N3CC[C@H]3COc3ccccc3)cc21,CHEMBL371687_active,CASP3,Active |
| COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C1=NCC(C)(C)CN12,CHEMBL594873_active,CASP3,Active |
| CCCCCCN(C)CC(=O)[C@H](CC(=O)O)NC(=O)C(CC)n1cc(C(C)(C)C)nc(Nc2nnn[nH]2)c1=O,CHEMBL248310_active,CASP3,Active |
| COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(C2CO2)cc1,CHEMBL523666_active,CASP3,Active |
| CC1(C)CN=C2C(=O)c3cc(S(=O)(=O)N4CCC[C@H]4COc4ccccc4)ccc3N2C1,CHEMBL592983_active,CASP3,Active |
| CC(C)[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)COc1cccc2ccccc12,CHEMBL118738_active,CASP3,Active |
| N#CC(C#N)=C1C(=O)N(Cc2ccccc2)c2ccc(S(=O)(=O)N3CCC[C@H]3COc3cccnc3)cc21,CHEMBL226828_active,CASP3,Active |
| CC1(C)CN=C2C(=O)c3cc(S(=O)(=O)N4CCC[C@H]4COc4ccccn4)ccc3N2C1,CHEMBL595814_active,CASP3,Active |
| COc1ccc(CN2C(=O)C(=O)c3cc(S(=O)(=O)N4CC[C@H]4COc4ccccc4)ccc32)cc1,CHEMBL200813_active,CASP3,Active |
| COc1ccc(-c2nc(C)no2)cc1CC(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)C(C)C,CHEMBL360880_active,CASP3,Active |
| O=C1C(=O)N(Cc2cccc(F)n2)c2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)cc21,CHEMBL372994_active,CASP3,Active |
| CC(C)C[C@H](NC(=O)C(=O)Nc1cccc2ccccc12)C(=O)N[C@H](C=O)CC(=O)O,CHEMBL90307_active,CASP3,Active |
| O=C1C(=O)N(Cc2ccc(F)nc2)c2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)cc21,CHEMBL200653_active,CASP3,Active |
| O=C1C(=O)N(Cc2ccc(F)nc2)c2ccc(S(=O)(=O)N3CC[C@H]3COc3ccccc3)cc21,CHEMBL370012_active,CASP3,Active |
| CC(C)[C@H](OC(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)NC(CC(=O)O)C(=O)CF,CHEMBL181341_active,CASP3,Active |
| O=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(S(=O)(=O)N3CCC[C@H]3COCc3cn(CCF)nn3)cc21,CHEMBL518382_active,CASP3,Active |
| CC(C)CC(NC(=O)CNc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O,CHEMBL322631_active,CASP3,Active |
| COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C1=NCC3(CCCCC3)CN12,CHEMBL604054_active,CASP3,Active |
| CCOC(=O)N1CCN(C[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)C(=O)C2=NCC(C)(C)CN23)CC1,CHEMBL593223_active,CASP3,Active |
| COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C1=NCC3(CCCC3)CN12,CHEMBL595778_active,CASP3,Active |
| Cc1ccccc1N1C(=O)c2c(C)nc3ccc(S(=O)(=O)N4CCOCC4)cc3c2C1=O,CHEMBL183437_active,CASP3,Active |
| CC(=O)N1N=C(c2cc(F)ccc2F)C[C@H]1c1cccc(O)c1,CHEMBL195232_active,CASP3,Active |
| COC(=O)CN1C(=O)c2c(C)nc3ccc(S(=O)(=O)N4CCOCC4)cc3c2C1=O,CHEMBL183151_active,CASP3,Active |
| Cc1nc2ccc(C#N)cc2c2c1C(=O)N(c1c(C)nn(C)c1C)C2=O,CHEMBL359879_active,CASP3,Active |
| COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2C[C@H]1CO1,CHEMBL513297_active,CASP3,Active |
| CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1CCC[C@H]2SC[C@@H](C(=O)N[C@H]3CC(=O)OC3O)N2C1=O,CHEMBL329917_active,CASP3,Active |
| O=C[C@H](CC(=O)O)NC(=O)c1cnc(CNS(=O)(=O)c2ccc(O)c(C(=O)O)c2)nc1,CHEMBL144423_active,CASP3,Active |
| O=C(O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(C(=O)O)c2)s1)C(=O)CSCc1cccnc1,CHEMBL357676_active,CASP3,Active |
| CC(C)[C@H](OC(=O)Nc1ccccc1)C(=O)NC(CC(=O)O)C(=O)COC(=O)c1c(Cl)cccc1Cl,CHEMBL181976_active,CASP3,Active |
| O=C1Nc2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccncc3)cc2C1=O,CHEMBL197237_active,CASP3,Active |
| COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2nc(C)c3c(c2c1)C(=O)N(c1c(C)nn(C)c1C)C3=O,CHEMBL362007_active,CASP3,Active |
| COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2CCCCCCCCCC1CO1,CHEMBL521984_active,CASP3,Active |
| CN1C(=O)C(=O)c2cc(S(=O)(=O)N3CCC[C@H]3COc3cccnc3)ccc21,CHEMBL371879_active,CASP3,Active |
| O=C1C2=NCC3(CCCCC3)CN2c2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)cc21,CHEMBL595802_active,CASP3,Active |
| O=C(CCC(=O)N1CCCCC1)Nc1ccc2c(c1)C(=O)C(=O)NC2=O,CHEMBL438969_active,CASP3,Active |
| CC(=O)OCCN1C(=O)c2c(-c3ccccc3)nc3ccc(S(=O)(=O)N4CCOCC4)cc3c2C1=O,CHEMBL193674_active,CASP3,Active |
| N#CC(C#N)=C1C(=O)N(Cc2ccccc2)c2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)cc21,CHEMBL226779_active,CASP3,Active |
| O=C1C(=O)N(Cc2ccnc(F)c2)c2ccc(S(=O)(=O)N3CC[C@H]3COc3ccccc3)cc21,CHEMBL196855_active,CASP3,Active |
| O=C(O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(C(=O)O)c2)s1)C(=O)CSCc1ccncc1,CHEMBL357214_active,CASP3,Active |
| CC(C)[C@H](NC(=O)OCC1CCCC1)C(=O)NC(CC(=O)O)C(=O)CF,CHEMBL363509_active,CASP3,Active |
| O=C1Nc2ccc(S(=O)(=O)N3CCCC3CNc3ccccc3)cc2C1=O,CHEMBL59721_active,CASP3,Active |
| CC(=O)OCCN1C(=O)c2c(-c3cccnc3)nc3ccc(S(=O)(=O)N4CCOCC4)cc3c2C1=O,CHEMBL191944_active,CASP3,Active |
| CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1C(=O)NC(C(=O)O)C(=O)CF,CHEMBL237310_active,CASP3,Active |
| CC(=O)OCCN1C(=O)c2c(-c3ccco3)nc3ccc(S(=O)(=O)N4CCOCC4)cc3c2C1=O,CHEMBL370952_active,CASP3,Active |
| CC(=O)OC(C(=O)Nc1cccc2c1C(=O)C(=O)NC2=O)c1ccccc1,CHEMBL439872_active,CASP3,Active |
| COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(OCC2CO2)cc1,CHEMBL494220_active,CASP3,Active |
| C=CCNC(=O)CCC(=O)Nc1ccc2c(c1)C(=O)C(=O)NC2=O,CHEMBL203900_active,CASP3,Active |
| O=C1Nc2ccc(S(=O)(=O)N3CCCC3CSc3ccccc3)cc2C1=O,CHEMBL63493_active,CASP3,Active |
| O=C[C@H](CC(=O)O)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(C(=O)O)c2)nc1,CHEMBL358725_active,CASP3,Active |
| O=C(O)CC(NC(=O)[C@@H](OC(=O)Nc1ccccc1)C1CCCCC1)C(=O)CF,CHEMBL361757_active,CASP3,Active |
| CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CCCc1ccccc1)n1cc(C(C)(C)C)nc(NCCc2cccs2)c1=O,CHEMBL392245_active,CASP3,Active |
| O=C1NC(=O)c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2C1=O,CHEMBL203971_active,CASP3,Active |
| O=C1NC(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2C1=O,CHEMBL377940_active,CASP3,Active |
| CCOc1cccc(NC(=O)CCC(=O)Nc2ccc3c(c2)C(=O)C(=O)NC3=O)c1,CHEMBL204529_active,CASP3,Active |
| Cc1nc2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)cc2c2c1C(=O)N(c1c(C)nn(C)c1C)C2=O,CHEMBL182541_active,CASP3,Active |
| COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2CCCCOS(=O)(=O)c1ccc(C)cc1,CHEMBL492518_active,CASP3,Active |
| CC(C)C[C@H](NC(=O)CCOc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O,CHEMBL102901_active,CASP3,Active |
| CC1(C)CN=C2C(=O)c3cc(S(=O)(=O)N4CCC[C@H]4CNC4CCCCC4)ccc3N2C1,CHEMBL595576_active,CASP3,Active |
| COc1ccc(OC)c(CC(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)CSCC2CCCCC2)C(C)C)c1,CHEMBL353919_active,CASP3,Active |
| O=C(CCC(=O)Nc1ccc2c(c1)C(=O)C(=O)NC2=O)NCc1ccccc1,CHEMBL380344_active,CASP3,Active |
| O=C[C@H](CC(=O)O)NC(=O)c1cnc(CNS(=O)(=O)c2ccc(O)c(C(=O)O)c2)s1,CHEMBL146130_active,CASP3,Active |
| CC(C)[C@H](OC(=O)Nc1ccccc1)C(=O)NC(CC(=O)O)C(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1,CHEMBL178819_active,CASP3,Active |
| CC[C@H](C)[C@@H](C(=O)N[C@H]1CCc2cccc3c2N(C1=O)[C@H](C(=O)N[C@H](C=O)C(=O)O)C3)N(C)C(C)=O,CHEMBL304368_active,CASP3,Active |
| CC(C)[C@H](NC(=O)c1cc2cc(F)ccc2[nH]1)C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1,CHEMBL168816_active,CASP3,Active |
| CN(Cc1ccc(O)c(C(=O)O)c1)Cc1ccc(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc2ccccc2Cl)s1,CHEMBL357191_active,CASP3,Active |
| CC(C)[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)COc1ccc2ccccc2c1,CHEMBL116661_active,CASP3,Active |
| CN1C(=O)C(=O)c2cc(S(=O)(=O)N3CC[C@H]3COc3ccccc3)ccc21,CHEMBL371709_active,CASP3,Active |
| CC(C)C[C@H](NC(=O)COc1ccccc1-c1ccccc1)C(=O)N[C@H]1CC(=O)OC1O,CHEMBL99681_active,CASP3,Active |
| O=C(O)CC(NC(=O)[C@@H](NC(=O)OCc1ccccc1)C1CCCCC1)C(=O)CF,CHEMBL23493_active,CASP3,Active |
| O=C(O)CC(NC(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1)C(=O)CF,CHEMBL23816_active,CASP3,Active |
| CC(C)[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)COc1ccc(-c2ccccc2)cc1,CHEMBL331689_active,CASP3,Active |
| O=C(O)CN(C(=O)CF)C(=O)[C@H]1CCN1C(=O)OCc1ccccc1,CHEMBL237308_active,CASP3,Active |
| O=C(O)CC(NC(=O)c1sccc1NC(=O)OCc1ccccc1)C(=O)CF,CHEMBL237088_active,CASP3,Active |
| CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CCCc1ccccc1)n1cc(C(C)(C)C)nc(NC(CC(C)C)C(=O)O)c1=O,CHEMBL396625_active,CASP3,Active |
| O=C1C(=O)N(Cc2ccccc2)c2ccc(S(=O)(=O)N3CCC3)cc21,CHEMBL476022_active,CASP3,Active |
| CN1C(=O)C(=C(C#N)C#N)c2cc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)ccc21,CHEMBL390932_active,CASP3,Active |
| O=C[C@H](CC(=O)O)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(C(=O)O)c2)s1,CHEMBL147642_active,CASP3,Active |
| CC(C)CN(CC(C)C)C(=O)c1cncc(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc2ccc(F)cc2)c1,CHEMBL308465_active,CASP3,Active |
| O=C(O)C[C@H](NC(=O)c1cncc(S(=O)(=O)NC2CC2)c1)C(=O)COC(=O)c1cccc2ccccc12,CHEMBL68251_active,CASP3,Active |
| CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@H]1CC(=O)OC1O,CHEMBL101835_active,CASP3,Active |
| CC(C)C[C@H](NC(=O)COc1cccc2cccnc12)C(=O)N[C@H]1CC(=O)OC1O,CHEMBL101341_active,CASP3,Active |
| CC1(C)CN=C2C(=O)c3cc(NS(=O)(=O)c4ccccc4F)ccc3N2C1,CHEMBL609885_active,CASP3,Active |
| O=C(O)CC(NC(=O)[C@H](Cc1cccs1)NC(=O)OCc1ccccc1)C(=O)CF,CHEMBL282508_active,CASP3,Active |
| COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2CCC1CO1,CHEMBL493374_active,CASP3,Active |
| O=C[C@H](CC(=O)O)NC(=O)c1cc(CNS(=O)(=O)c2ccc(O)c(C(=O)O)c2)on1,CHEMBL357833_active,CASP3,Active |
| CC(C)[C@H](NC(=O)C1(O)CC1)C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1,CHEMBL359479_active,CASP3,Active |
| CC(C)C[C@H](NC(=O)COc1ccc2c(c1)CCCC2)C(=O)N[C@H]1CC(=O)OC1O,CHEMBL321546_active,CASP3,Active |
| O=C1Nc2ccc(S(=O)(=O)N3CCC3)cc2C1=O,CHEMBL64789_active,CASP3,Active |
| O=C1NC(=O)c2cccc(NC(=O)C3CC3)c2C1=O,CHEMBL380416_active,CASP3,Active |
| CC(C)C[C@H](NC(=O)CSc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O,CHEMBL318312_active,CASP3,Active |
| CC(C)C[C@H](NC(=O)COc1ccccc1C1CCCC1)C(=O)N[C@H]1CC(=O)OC1O,CHEMBL321074_active,CASP3,Active |
| O=C[C@H](CC(=O)O)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(C(=O)O)c2)cc1,CHEMBL422849_active,CASP3,Active |
| O=C(O)CC(NC(=O)c1ccccc1NC(=O)OCc1ccccc1)C(=O)CF,CHEMBL391494_active,CASP3,Active |
| O=C(O)CC(NC(=O)[C@H]1CCC[C@H]1NC(=O)OCc1ccccc1)C(=O)CF,CHEMBL429632_active,CASP3,Active |
| C=CCc1cccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3)CC2)c1O,CHEMBL591429_active,CASP3,Active |
| CC(C)C[C@H](NC(=O)COc1ccccc1OCc1ccccc1)C(=O)N[C@H]1CC(=O)OC1O,CHEMBL101141_active,CASP3,Active |
| CC(C)CC(NC(=O)CNc1cccc(Oc2ccccc2)c1)C(=O)N[C@H]1CC(=O)OC1O,CHEMBL101182_active,CASP3,Active |
| CC(C)C[C@H](NC(=O)COc1ccnc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O,CHEMBL100927_active,CASP3,Active |
| O=C(O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(C(=O)O)c2)s1)C(=O)CCCc1ccccc1,CHEMBL148295_active,CASP3,Active |
| FC(F)(F)c1ccc(-c2noc(-c3sccc3Cl)n2)cn1,CHEMBL191484_active,CASP3,Active |
| O=C1C(=O)N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc21,CHEMBL60306_active,CASP3,Active |
| O=C(O)CC(NC(=O)[C@H]1CCCC[C@H]1NC(=O)OCc1ccccc1)C(=O)CF,CHEMBL391709_active,CASP3,Active |
| O=C1NC(=O)c2cc(NC(=O)c3ccccc3)ccc2C1=O,CHEMBL206606_active,CASP3,Active |
| CC(C)C[C@H](NC(=O)CSc1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)OC1O,CHEMBL329940_active,CASP3,Active |
| CN(C1CC1)S(=O)(=O)c1cncc(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc2ccc(F)cc2)c1,CHEMBL303405_active,CASP3,Active |
| O=C1NC(=O)c2ccc(NC(=O)C3CCCCC3)cc2C1=O,CHEMBL205563_active,CASP3,Active |
| FC(F)(F)c1cccc(-c2noc(-c3sccc3Cl)n2)c1,CHEMBL365384_active,CASP3,Active |
| CC(C)C[C@H](NC(=O)COc1cccc(-c2ccccc2)c1)C(=O)N[C@H]1CC(=O)OC1O,CHEMBL99680_active,CASP3,Active |
| CC(C)C[C@H](NC(=O)COc1ccc(C2CCCC2)cc1)C(=O)N[C@H]1CC(=O)OC1O,CHEMBL99999_active,CASP3,Active |
| CC(C)CC(NC(=O)CNCC(Cc1ccccc1)c1ccccc1)C(=O)N[C@H]1CC(=O)OC1O,CHEMBL101622_active,CASP3,Active |
| N#CC(C#N)=C1C(=O)N(Cc2ccccc2)c2ccc(S(=O)(=O)N3CCC3)cc21,CHEMBL516251_active,CASP3,Active |
| CC(C)C[C@H](NC(=O)COc1cccc2c1CCCC2)C(=O)N[C@H]1CC(=O)OC1O,CHEMBL318035_active,CASP3,Active |
| O=C1C(=O)N(Cc2ccccc2)C(=O)c2ccccc21,CHEMBL382859_active,CASP3,Active |
| O=C(O)C[C@H](NC(=O)c1cncc(S(=O)(=O)NCc2ccccc2)c1)C(=O)CSCc1ccc(F)cc1,CHEMBL420366_active,CASP3,Active |
| CC(C)C[C@H](NC(=O)COc1ccc(Cc2ccccc2)cc1)C(=O)N[C@H]1CC(=O)OC1O,CHEMBL322183_active,CASP3,Active |
| O=C(O)C[C@H](NC(=O)c1cncc(S(=O)(=O)NC2CC2)c1)C(=O)Oc1ccccc1,CHEMBL302972_active,CASP3,Active |
| Clc1ccc(-c2noc(-c3sccc3Cl)n2)nc1,CHEMBL361702_active,CASP3,Active |
| O=C(O)CC(NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)CF,CHEMBL22597_active,CASP3,Active |
| O=C[C@H](CC(=O)O)NC(=O)c1ccc(CNS(=O)(=O)c2cccc(-c3noc(O)n3)c2)nc1,CHEMBL149663_active,CASP3,Active |
| CC(C)C(NC(=O)COc1ccc2ccccc2c1C(=O)O)C(=O)N[C@H]1CC(=O)OC1O,CHEMBL327298_active,CASP3,Active |
| CC(C)C[C@H](NC(=O)COc1cccc2cnccc12)C(=O)N[C@H]1CC(=O)OC1O,CHEMBL101684_active,CASP3,Active |
| O=C(O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(C(=O)O)c2)nc1)C(=O)c1nc2ccccc2o1,CHEMBL147622_active,CASP3,Active |
| O=C(O)CN(C(=O)CF)C(=O)[C@H]1CCCN1C(=O)OCc1ccccc1,CHEMBL393200_active,CASP3,Active |
| CC(C)C[C@H](NC(=O)CCSc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O,CHEMBL316465_active,CASP3,Active |
| CC(C)C[C@H](NC(=O)COc1cccc2ncccc12)C(=O)N[C@H]1CC(=O)OC1O,CHEMBL318295_active,CASP3,Active |
| CC(C)C[C@H](NC(=O)CCOc1ccccc1)C(=O)N[C@H]1CC(=O)OC1O,CHEMBL101714_active,CASP3,Active |
| O=C[C@H](CC(=O)O)NC(=O)c1ccc(CNS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)nc1,CHEMBL149551_active,CASP3,Active |
| COC(=O)CN1C(=O)c2c(C)nc3ccc(Br)cc3c2C1=O,CHEMBL180385_active,CASP3,Active |
| Cc1ccc(OCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]2CC(=O)OC2O)c(C23CC4CC(CC(C4)C2)C3)c1,CHEMBL319554_active,CASP3,Active |
| O=C[C@H](CC(=O)O)NC(=O)c1cnc(CNS(=O)(=O)c2ccc(O)c(C(=O)O)c2)cn1,CHEMBL148337_active,CASP3,Active |
| FC(F)(F)c1ccc(-c2noc(-c3occc3Cl)n2)cc1,CHEMBL190297_active,CASP3,Active |
| CC(C)C[C@H](NC(=O)COc1ccccc1Cc1ccccc1)C(=O)N[C@H]1CC(=O)OC1O,CHEMBL102005_active,CASP3,Active |
| O=C(O)C[C@H](NC(=O)c1cncc(S(=O)(=O)NC2CC2)c1)C(=O)CNCc1c(F)cccc1F,CHEMBL68379_active,CASP3,Active |
| CC(C)C[C@H](NC(=O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)N[C@H]1CC(=O)OC1O,CHEMBL418983_active,CASP3,Active |
| N#CC(C#N)=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccc(S(=O)(=O)N3CCCCC3)cc21,CHEMBL492059_active,CASP3,Active |
| O=C1C(=O)N(CCc2ccccc2)C(=O)c2ccccc21,CHEMBL382860_active,CASP3,Active |
| CC(C)C[C@H](NC(=O)COc1ccc(Oc2ccccc2)cc1)C(=O)N[C@H]1CC(=O)OC1O,CHEMBL102154_active,CASP3,Active |
| CC(C)C[C@H](NC(=O)COc1ccc(OCc2ccccc2)cc1)C(=O)N[C@H]1CC(=O)OC1O,CHEMBL100788_active,CASP3,Active |
| Clc1ccc(-c2noc(-c3occc3Cl)n2)nc1,CHEMBL365420_active,CASP3,Active |
| CN1C(=O)C(=O)c2cc(C#N)ccc21,CHEMBL64584_active,CASP3,Active |
| N#CC(C#N)=C1C(=O)N(Cc2ccccc2)c2ccc(S(=O)(=O)N3CCCC3)cc21,CHEMBL477047_active,CASP3,Active |
| O=C(Nc1cccc2c1C(=O)C(=O)NC2=O)OCc1ccccc1,CHEMBL205083_active,CASP3,Active |
| CC(C)C[C@H](NC(=O)COc1ccc(-c2ccccc2)cc1)C(=O)N[C@H]1CC(=O)OC1O,CHEMBL101442_active,CASP3,Active |
| CC(C)C[C@H](NC(=O)CCSc1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)OC1O,CHEMBL101728_active,CASP3,Active |
| CC(C)C[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)OC1O,CHEMBL101108_active,CASP3,Active |
| CC(C)C[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O,CHEMBL318791_active,CASP3,Active |
| CC(C)C[C@H](NC(=O)CCOc1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)OC1O,CHEMBL100802_active,CASP3,Active |
| CC(C)C[C@H](NC(=O)CC(=O)c1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O,CHEMBL318887_active,CASP3,Active |
|
|
