| SMILES,Molecule Name,Target Name,Type | |
| CCCCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n2cc(C(C)(C)C)nc(NCc1nonc1C)c2=O,CHEMBL180669_active,CASP3,Active | |
| CC[C@@H](C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n2cccc(NC(=O)[C@H](CC(O)=O)NC(C)=O)c2=O,CHEMBL178116_active,CASP3,Active | |
| COc1ccc(S(C)(=O)=O)cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc2ccccc2,CHEMBL425699_active,CASP3,Active | |
| CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n3ccnc(NCc2nonc2C)c3=O,CHEMBL433771_active,CASP3,Active | |
| CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n3ccnc(NCc2cncs2)c3=O,CHEMBL180273_active,CASP3,Active | |
| CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN2CCc1ccccc1C2)n4ccnc(NCc3nonc3C)c4=O,CHEMBL360788_active,CASP3,Active | |
| CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1)n3cc(C(C)(C)C)nc(NCc2nonc2C)c3=O,CHEMBL180623_active,CASP3,Active | |
| CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CN[C@@H](C)c1ccccc1)n3ccnc(NCc2nonc2C)c3=O,CHEMBL181274_active,CASP3,Active | |
| CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN2Cc1ccccc1C2)n4ccnc(NCc3nonc3C)c4=O,CHEMBL367356_active,CASP3,Active | |
| CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n3ccnc(NCCn2cncn2)c3=O,CHEMBL181948_active,CASP3,Active | |
| CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN1CCCCC1)n3cc(C(C)(C)C)nc(NCc2nonc2C)c3=O,CHEMBL434147_active,CASP3,Active | |
| CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN1C2CCC1CC2)n4ccnc(NCc3nonc3C)c4=O,CHEMBL178674_active,CASP3,Active | |
| CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n3ccnc(NCc2nccs2)c3=O,CHEMBL181768_active,CASP3,Active | |
| CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN1CCCC1)n3ccnc(NCc2nonc2C)c3=O,CHEMBL424789_active,CASP3,Active | |
| CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n3ccnc(NCc2cccs2)c3=O,CHEMBL361613_active,CASP3,Active | |
| CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n3ccnc(NCc2ccon2)c3=O,CHEMBL362191_active,CASP3,Active | |
| CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n3ccnc(NCc2nc(C)no2)c3=O,CHEMBL360956_active,CASP3,Active | |
| CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n3ccnc(NCc2cc(C)no2)c3=O,CHEMBL180763_active,CASP3,Active | |
| CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n3ccnc(NCCCc2nc(C)no2)c3=O,CHEMBL361983_active,CASP3,Active | |
| CCC(C(=O)N[C@@H](CC(O)=O)C(=O)c2ncc(c1ccccc1)o2)n4ccnc(NCc3nonc3C)c4=O,CHEMBL179066_active,CASP3,Active | |
| CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n2ccnc(NCCCOC)c2=O,CHEMBL359643_active,CASP3,Active | |
| CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n3ccnc(NCc2noc(C)n2)c3=O,CHEMBL178280_active,CASP3,Active | |
| CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n3ccnc(NCCc2nc(C)no2)c3=O,CHEMBL360915_active,CASP3,Active | |
| CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n3ccnc(NCCn2cccn2)c3=O,CHEMBL447233_active,CASP3,Active | |
| CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n4ccnc(Nc3ccc2sc(C)nc2c3)c4=O,CHEMBL181775_active,CASP3,Active | |
| CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN1CCOCC1)n3cc(C(C)(C)C)nc(NCc2nonc2C)c3=O,CHEMBL178775_active,CASP3,Active | |
| CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n4ccnc(NCC3COc2ccccc2O3)c4=O,CHEMBL362213_active,CASP3,Active | |
| CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n3ccnc(NCCCN2CCCC2=O)c3=O,CHEMBL182103_active,CASP3,Active | |
| FCCOc5ccc(Cn3c(=O)c(=O)c4cc(S(=O)(=O)N1CCC[C@H]1COc2ccccc2)ccc34)cc5,CHEMBL213759_active,CASP3,Active | |
| CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n4ccnc(NCc3nnc(c2ccccc2)o3)c4=O,CHEMBL220238_active,CASP3,Active | |
| FCCn5cc(Cn3c(=O)c(=O)c4cc(S(=O)(=O)N1CCC[C@H]1COc2ccc(F)cc2F)ccc34)nn5,CHEMBL456799_active,CASP3,Active | |
| CC(C)C(NC(=O)C(CCC(O)=O)NC(=O)C(CC(O)=O)NC(C)=O)C(=O)N[C@H]1CC(=O)OC1O,CHEMBL92780_active,CASP3,Active | |
| COC[C@@H]1CCCN1S(=O)(=O)c3ccc2n(C)c(=O)c(=O)c2c3,CHEMBL216819_active,CASP3,Active | |
| O=c5c2=NCC1(CCC1)Cn2c6ccc(S(=O)(=O)N3CCC[C@H]3COc4ccccc4)cc56,CHEMBL595807_active,CASP3,Active | |
| COC[C@@H]1CCCN1S(=O)(=O)c4ccc3n(Cc2ccc(O[Si](C)(C)C(C)(C)C)cc2)c(=O)c(=O)c3c4,CHEMBL387041_active,CASP3,Active | |
| CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C=O,CHEMBL417149_active,CASP3,Active | |
| CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@H]2CC(=O)OC2O,CHEMBL100588_active,CASP3,Active | |
| Fc5ccc(Cn3c(=O)c(=O)c4cc(S(=O)(=O)N1CCC[C@H]1COC2CCOCC2)ccc34)cc5,CHEMBL456593_active,CASP3,Active | |
| O=c5c2=NCC1(CCCC1)Cn2c6ccc(S(=O)(=O)N3CCC[C@H]3COc4ccccc4)cc56,CHEMBL594384_active,CASP3,Active | |
| Cn3c(=O)c(=O)c4cc(S(=O)(=O)N1CCC[C@H]1COc2ccccc2)ccc34,CHEMBL293034_active,CASP3,Active | |
| CC1(C)CN=c5n(C1)c4ccc(S(=O)(=O)N2CCC[C@H]2COc3cccnc3)cc4c5=O,CHEMBL606626_active,CASP3,Active | |
| COC[C@@H]1CCCN1S(=O)(=O)c5ccc4n3CC2(CCC2)CN=c3c(=O)c4c5,CHEMBL603644_active,CASP3,Active | |
| Brc5ccc(Cn3c(=O)c(=O)c4cc(S(=O)(=O)N1CCC[C@H]1COc2cccnc2)ccc34)cc5,CHEMBL227036_active,CASP3,Active | |
| CC(C)CC(NC(=O)[C@H](CCC(O)=O)Oc1cccc2ccccc12)C(=O)N[C@H]3CC(=O)OC3O,CHEMBL101545_active,CASP3,Active | |
| Cc1nn(C)c(C)c1n5c(=O)c4c(C)nc3ccc(S(=O)(=O)N2CCOCC2)cc3c4c5=O,CHEMBL360360_active,CASP3,Active | |
| O=c5n(Cc1ccncc1)c4ccc(S(=O)(=O)N2CCC[C@H]2COc3ccccc3)cc4c5=O,CHEMBL300369_active,CASP3,Active | |
| CC1(C)CN=c5n(C1)c4ccc(S(=O)(=O)N2CCC[C@H]2CN3CCOCC3)cc4c5=O,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)n3cc(C(C)(C)C)nc(Nc2nnn[nH]2)c3=O,CHEMBL248508_active,CASP3,Active | |
| O=c5n(CC1CCCCC1)c4ccc(S(=O)(=O)N2CCC[C@H]2COc3ccccc3)cc4c5=O,CHEMBL64895_active,CASP3,Active | |
| Fc5ccc(Cn3c(=O)c(=O)c4cc(S(=O)(=O)N1CCC[C@H]1COc2ccncn2)ccc34)cc5,CHEMBL515506_active,CASP3,Active | |
| Fc5cccc(Cn3c(=O)c(=O)c4cc(S(=O)(=O)N1CC[C@H]1COc2ccccc2)ccc34)n5,CHEMBL371687_active,CASP3,Active | |
| COC[C@@H]1CCCN1S(=O)(=O)c4ccc3n2CC(C)(C)CN=c2c(=O)c3c4,CHEMBL594873_active,CASP3,Active | |
| CCCCCCN(C)CC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n2cc(C(C)(C)C)nc(Nc1nnn[nH]1)c2=O,CHEMBL248310_active,CASP3,Active | |
| COC[C@@H]1CCCN1S(=O)(=O)c5ccc4n(Cc3ccc(C2CO2)cc3)c(=O)c(=O)c4c5,CHEMBL523666_active,CASP3,Active | |
| CC1(C)CN=c5n(C1)c4ccc(S(=O)(=O)N2CCC[C@H]2COc3ccccc3)cc4c5=O,CHEMBL592983_active,CASP3,Active | |
| CC(C)[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)COc3cccc4ccccc34,CHEMBL118738_active,CASP3,Active | |
| O=c5n(Cc1ccccc1)c4ccc(S(=O)(=O)N2CCC[C@H]2COc3cccnc3)cc4c5=C(C#N)C#N,CHEMBL226828_active,CASP3,Active | |
| CC1(C)CN=c5n(C1)c4ccc(S(=O)(=O)N2CCC[C@H]2COc3ccccn3)cc4c5=O,CHEMBL595814_active,CASP3,Active | |
| COc5ccc(Cn3c(=O)c(=O)c4cc(S(=O)(=O)N1CC[C@H]1COc2ccccc2)ccc34)cc5,CHEMBL200813_active,CASP3,Active | |
| COc2ccc(c1nc(C)no1)cc2CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc3ccccc3,CHEMBL360880_active,CASP3,Active | |
| Fc5cccc(Cn3c(=O)c(=O)c4cc(S(=O)(=O)N1CCC[C@H]1COc2ccccc2)ccc34)n5,CHEMBL372994_active,CASP3,Active | |
| CC(C)C[C@H](NC(=O)C(=O)Nc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O,CHEMBL90307_active,CASP3,Active | |
| Fc5ccc(Cn3c(=O)c(=O)c4cc(S(=O)(=O)N1CCC[C@H]1COc2ccccc2)ccc34)cn5,CHEMBL200653_active,CASP3,Active | |
| Fc5ccc(Cn3c(=O)c(=O)c4cc(S(=O)(=O)N1CC[C@H]1COc2ccccc2)ccc34)cn5,CHEMBL370012_active,CASP3,Active | |
| CC(C)[C@H](OC(=O)Nc2ccc(Oc1ccccc1)cc2)C(=O)NC(CC(O)=O)C(=O)CF,CHEMBL181341_active,CASP3,Active | |
| FCCn5cc(COC[C@@H]1CCCN1S(=O)(=O)c4ccc3n(Cc2ccc(F)cc2)c(=O)c(=O)c3c4)nn5,CHEMBL518382_active,CASP3,Active | |
| CC(C)CC(NC(=O)CNc1cccc2ccccc12)C(=O)N[C@H]3CC(=O)OC3O,CHEMBL322631_active,CASP3,Active | |
| COC[C@@H]1CCCN1S(=O)(=O)c5ccc4n3CC2(CCCCC2)CN=c3c(=O)c4c5,CHEMBL604054_active,CASP3,Active | |
| CCOC(=O)N5CCN(C[C@@H]1CCCN1S(=O)(=O)c4ccc3n2CC(C)(C)CN=c2c(=O)c3c4)CC5,CHEMBL593223_active,CASP3,Active | |
| COC[C@@H]1CCCN1S(=O)(=O)c5ccc4n3CC2(CCCC2)CN=c3c(=O)c4c5,CHEMBL595778_active,CASP3,Active | |
| Cc1ccccc1n5c(=O)c4c(C)nc3ccc(S(=O)(=O)N2CCOCC2)cc3c4c5=O,CHEMBL183437_active,CASP3,Active | |
| CC(=O)N2N=C(c1cc(F)ccc1F)C[C@H]2c3cccc(O)c3,CHEMBL195232_active,CASP3,Active | |
| COC(=O)Cn4c(=O)c3c(C)nc2ccc(S(=O)(=O)N1CCOCC1)cc2c3c4=O,CHEMBL183151_active,CASP3,Active | |
| Cc1nn(C)c(C)c1n4c(=O)c3c(C)nc2ccc(C#N)cc2c3c4=O,CHEMBL359879_active,CASP3,Active | |
| COC[C@@H]1CCCN1S(=O)(=O)c4ccc3n(C[C@H]2CO2)c(=O)c(=O)c3c4,CHEMBL513297_active,CASP3,Active | |
| CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@H]3CCC[C@H]2SC[C@@H](C(=O)N[C@H]1CC(=O)OC1O)N2C3=O,CHEMBL329917_active,CASP3,Active | |
| OC(=O)C[C@H](NC(=O)c2cnc(CNS(=O)(=O)c1ccc(O)c(C(O)=O)c1)nc2)C=O,CHEMBL144423_active,CASP3,Active | |
| OC(=O)C[C@H](NC(=O)c2ccc(CNS(=O)(=O)c1ccc(O)c(C(O)=O)c1)s2)C(=O)CSCc3cccnc3,CHEMBL357676_active,CASP3,Active | |
| CC(C)[C@H](OC(=O)Nc1ccccc1)C(=O)NC(CC(O)=O)C(=O)COC(=O)c2c(Cl)cccc2Cl,CHEMBL181976_active,CASP3,Active | |
| O=c4[nH]c3ccc(S(=O)(=O)N1CCC[C@H]1COc2ccncc2)cc3c4=O,CHEMBL197237_active,CASP3,Active | |
| COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c5ccc4nc(C)c3c(=O)n(c2c(C)nn(C)c2C)c(=O)c3c4c5,CHEMBL362007_active,CASP3,Active | |
| COC[C@@H]1CCCN1S(=O)(=O)c4ccc3n(CCCCCCCCCC2CO2)c(=O)c(=O)c3c4,CHEMBL521984_active,CASP3,Active | |
| Cn3c(=O)c(=O)c4cc(S(=O)(=O)N1CCC[C@H]1COc2cccnc2)ccc34,CHEMBL371879_active,CASP3,Active | |
| O=c5c2=NCC1(CCCCC1)Cn2c6ccc(S(=O)(=O)N3CCC[C@H]3COc4ccccc4)cc56,CHEMBL595802_active,CASP3,Active | |
| O=C(CCC(=O)N1CCCCC1)Nc3ccc2c(=O)[nH]c(=O)c(=O)c2c3,CHEMBL438969_active,CASP3,Active | |
| CC(=O)OCCn5c(=O)c4c(c1ccccc1)nc3ccc(S(=O)(=O)N2CCOCC2)cc3c4c5=O,CHEMBL193674_active,CASP3,Active | |
| O=c5n(Cc1ccccc1)c4ccc(S(=O)(=O)N2CCC[C@H]2COc3ccccc3)cc4c5=C(C#N)C#N,CHEMBL226779_active,CASP3,Active | |
| Fc5cc(Cn3c(=O)c(=O)c4cc(S(=O)(=O)N1CC[C@H]1COc2ccccc2)ccc34)ccn5,CHEMBL196855_active,CASP3,Active | |
| OC(=O)C[C@H](NC(=O)c2ccc(CNS(=O)(=O)c1ccc(O)c(C(O)=O)c1)s2)C(=O)CSCc3ccncc3,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=c4[nH]c3ccc(S(=O)(=O)N1CCCC1CNc2ccccc2)cc3c4=O,CHEMBL59721_active,CASP3,Active | |
| CC(=O)OCCn5c(=O)c4c(c1cccnc1)nc3ccc(S(=O)(=O)N2CCOCC2)cc3c4c5=O,CHEMBL191944_active,CASP3,Active | |
| CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc2ccccc2C(=O)NC(C(O)=O)C(=O)CF,CHEMBL237310_active,CASP3,Active | |
| CC(=O)OCCn5c(=O)c4c(c1ccco1)nc3ccc(S(=O)(=O)N2CCOCC2)cc3c4c5=O,CHEMBL370952_active,CASP3,Active | |
| CC(=O)OC(C(=O)Nc1cccc2c(=O)[nH]c(=O)c(=O)c12)c3ccccc3,CHEMBL439872_active,CASP3,Active | |
| COC[C@@H]1CCCN1S(=O)(=O)c5ccc4n(Cc3ccc(OCC2CO2)cc3)c(=O)c(=O)c4c5,CHEMBL494220_active,CASP3,Active | |
| C=CCNC(=O)CCC(=O)Nc2ccc1c(=O)[nH]c(=O)c(=O)c1c2,CHEMBL203900_active,CASP3,Active | |
| O=c4[nH]c3ccc(S(=O)(=O)N1CCCC1CSc2ccccc2)cc3c4=O,CHEMBL63493_active,CASP3,Active | |
| OC(=O)C[C@H](NC(=O)c2ccc(CNS(=O)(=O)c1ccc(O)c(C(O)=O)c1)nc2)C=O,CHEMBL358725_active,CASP3,Active | |
| OC(=O)CC(NC(=O)[C@@H](OC(=O)Nc1ccccc1)C2CCCCC2)C(=O)CF,CHEMBL361757_active,CASP3,Active | |
| CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1)n3cc(C(C)(C)C)nc(NCCc2cccs2)c3=O,CHEMBL392245_active,CASP3,Active | |
| O=C(Nc1cccc2c(=O)[nH]c(=O)c(=O)c12)c3cccc(N(=O)=O)c3,CHEMBL203971_active,CASP3,Active | |
| O=C(Nc2ccc1c(=O)[nH]c(=O)c(=O)c1c2)c3ccc(N(=O)=O)cc3,CHEMBL377940_active,CASP3,Active | |
| CCOc3cccc(NC(=O)CCC(=O)Nc2ccc1c(=O)[nH]c(=O)c(=O)c1c2)c3,CHEMBL204529_active,CASP3,Active | |
| Cc1nn(C)c(C)c1n6c(=O)c5c(C)nc4ccc(S(=O)(=O)N2CCC[C@H]2COc3ccccc3)cc4c5c6=O,CHEMBL182541_active,CASP3,Active | |
| COC[C@@H]1CCCN1S(=O)(=O)c4ccc3n(CCCCOS(=O)(=O)c2ccc(C)cc2)c(=O)c(=O)c3c4,CHEMBL492518_active,CASP3,Active | |
| CC(C)C[C@H](NC(=O)CCOc1cccc2ccccc12)C(=O)N[C@H]3CC(=O)OC3O,CHEMBL102901_active,CASP3,Active | |
| CC1(C)CN=c5n(C1)c4ccc(S(=O)(=O)N2CCC[C@H]2CNC3CCCCC3)cc4c5=O,CHEMBL595576_active,CASP3,Active | |
| COc2ccc(OC)c(CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCC1CCCCC1)c2,CHEMBL353919_active,CASP3,Active | |
| O=C(CCC(=O)Nc2ccc1c(=O)[nH]c(=O)c(=O)c1c2)NCc3ccccc3,CHEMBL380344_active,CASP3,Active | |
| OC(=O)C[C@H](NC(=O)c2cnc(CNS(=O)(=O)c1ccc(O)c(C(O)=O)c1)s2)C=O,CHEMBL146130_active,CASP3,Active | |
| CC(C)[C@H](OC(=O)Nc1ccccc1)C(=O)NC(CC(O)=O)C(=O)COc2cc(C(F)(F)F)nn2c3ccccc3,CHEMBL178819_active,CASP3,Active | |
| CC[C@H](C)[C@H](N(C)C(C)=O)C(=O)N[C@H]1CCc2cccc3C[C@@H](C(=O)N[C@H](C=O)C(O)=O)N(C1=O)c23,CHEMBL304368_active,CASP3,Active | |
| CC(C)[C@H](NC(=O)c2cc1cc(F)ccc1[nH]2)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc3ccccc3,CHEMBL168816_active,CASP3,Active | |
| CN(Cc1ccc(O)c(C(O)=O)c1)Cc3ccc(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc2ccccc2Cl)s3,CHEMBL357191_active,CASP3,Active | |
| CC(C)[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)COc4ccc3ccccc3c4,CHEMBL116661_active,CASP3,Active | |
| Cn3c(=O)c(=O)c4cc(S(=O)(=O)N1CC[C@H]1COc2ccccc2)ccc34,CHEMBL371709_active,CASP3,Active | |
| CC(C)C[C@H](NC(=O)COc1ccccc1c2ccccc2)C(=O)N[C@H]3CC(=O)OC3O,CHEMBL99681_active,CASP3,Active | |
| OC(=O)CC(NC(=O)[C@@H](NC(=O)OCc1ccccc1)C2CCCCC2)C(=O)CF,CHEMBL23493_active,CASP3,Active | |
| OC(=O)CC(NC(=O)[C@@H](NC(=O)OCc1ccccc1)c2ccccc2)C(=O)CF,CHEMBL23816_active,CASP3,Active | |
| CC(C)[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)COc4ccc(c3ccccc3)cc4,CHEMBL331689_active,CASP3,Active | |
| OC(=O)CN(C(=O)CF)C(=O)[C@H]1CCN1C(=O)OCc2ccccc2,CHEMBL237308_active,CASP3,Active | |
| OC(=O)CC(NC(=O)c1sccc1NC(=O)OCc2ccccc2)C(=O)CF,CHEMBL237088_active,CASP3,Active | |
| CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1)n2cc(C(C)(C)C)nc(NC(CC(C)C)C(O)=O)c2=O,CHEMBL396625_active,CASP3,Active | |
| O=c4n(Cc1ccccc1)c3ccc(S(=O)(=O)N2CCC2)cc3c4=O,CHEMBL476022_active,CASP3,Active | |
| Cn3c(=O)c(=C(C#N)C#N)c4cc(S(=O)(=O)N1CCC[C@H]1COc2ccccc2)ccc34,CHEMBL390932_active,CASP3,Active | |
| OC(=O)C[C@H](NC(=O)c2ccc(CNS(=O)(=O)c1ccc(O)c(C(O)=O)c1)s2)C=O,CHEMBL147642_active,CASP3,Active | |
| CC(C)CN(CC(C)C)C(=O)c2cncc(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccc(F)cc1)c2,CHEMBL308465_active,CASP3,Active | |
| OC(=O)C[C@H](NC(=O)c2cncc(S(=O)(=O)NC1CC1)c2)C(=O)COC(=O)c3cccc4ccccc34,CHEMBL68251_active,CASP3,Active | |
| CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2)C(=O)N[C@H]3CC(=O)OC3O,CHEMBL101835_active,CASP3,Active | |
| CC(C)C[C@H](NC(=O)COc1cccc2cccnc12)C(=O)N[C@H]3CC(=O)OC3O,CHEMBL101341_active,CASP3,Active | |
| CC1(C)CN=c4n(C1)c3ccc(NS(=O)(=O)c2ccccc2F)cc3c4=O,CHEMBL609885_active,CASP3,Active | |
| OC(=O)CC(NC(=O)[C@H](Cc1cccs1)NC(=O)OCc2ccccc2)C(=O)CF,CHEMBL282508_active,CASP3,Active | |
| COC[C@@H]1CCCN1S(=O)(=O)c4ccc3n(CCC2CO2)c(=O)c(=O)c3c4,CHEMBL493374_active,CASP3,Active | |
| OC(=O)C[C@H](NC(=O)c2cc(CNS(=O)(=O)c1ccc(O)c(C(O)=O)c1)on2)C=O,CHEMBL357833_active,CASP3,Active | |
| CC(C)[C@H](NC(=O)C1(O)CC1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc2ccccc2,CHEMBL359479_active,CASP3,Active | |
| CC(C)C[C@H](NC(=O)COc2ccc1CCCCc1c2)C(=O)N[C@H]3CC(=O)OC3O,CHEMBL321546_active,CASP3,Active | |
| O=c3[nH]c2ccc(S(=O)(=O)N1CCC1)cc2c3=O,CHEMBL64789_active,CASP3,Active | |
| O=C(Nc1cccc2c(=O)[nH]c(=O)c(=O)c12)C3CC3,CHEMBL380416_active,CASP3,Active | |
| CC(C)C[C@H](NC(=O)CSc1cccc2ccccc12)C(=O)N[C@H]3CC(=O)OC3O,CHEMBL318312_active,CASP3,Active | |
| CC(C)C[C@H](NC(=O)COc1ccccc1C2CCCC2)C(=O)N[C@H]3CC(=O)OC3O,CHEMBL321074_active,CASP3,Active | |
| OC(=O)C[C@H](NC(=O)c2ccc(CNS(=O)(=O)c1ccc(O)c(C(O)=O)c1)cc2)C=O,CHEMBL422849_active,CASP3,Active | |
| OC(=O)CC(NC(=O)c1ccccc1NC(=O)OCc2ccccc2)C(=O)CF,CHEMBL391494_active,CASP3,Active | |
| OC(=O)CC(NC(=O)[C@H]1CCC[C@H]1NC(=O)OCc2ccccc2)C(=O)CF,CHEMBL429632_active,CASP3,Active | |
| Oc1c(CC=C)cccc1\C=N\NC(=O)CN3CCN(Cc2ccccc2)CC3,CHEMBL591429_active,CASP3,Active | |
| CC(C)C[C@H](NC(=O)COc1ccccc1OCc2ccccc2)C(=O)N[C@H]3CC(=O)OC3O,CHEMBL101141_active,CASP3,Active | |
| CC(C)CC(NC(=O)CNc2cccc(Oc1ccccc1)c2)C(=O)N[C@H]3CC(=O)OC3O,CHEMBL101182_active,CASP3,Active | |
| CC(C)C[C@H](NC(=O)COc1ccnc2ccccc12)C(=O)N[C@H]3CC(=O)OC3O,CHEMBL100927_active,CASP3,Active | |
| OC(=O)C[C@H](NC(=O)c2ccc(CNS(=O)(=O)c1ccc(O)c(C(O)=O)c1)s2)C(=O)CCCc3ccccc3,CHEMBL148295_active,CASP3,Active | |
| FC(F)(F)c3ccc(c2noc(c1sccc1Cl)n2)cn3,CHEMBL191484_active,CASP3,Active | |
| O=N(=O)c3ccc2n(Cc1ccccc1)c(=O)c(=O)c2c3,CHEMBL60306_active,CASP3,Active | |
| OC(=O)CC(NC(=O)[C@H]1CCCC[C@H]1NC(=O)OCc2ccccc2)C(=O)CF,CHEMBL391709_active,CASP3,Active | |
| O=C(Nc2ccc1c(=O)c(=O)[nH]c(=O)c1c2)c3ccccc3,CHEMBL206606_active,CASP3,Active | |
| CC(C)C[C@H](NC(=O)CSc2ccc1ccccc1c2)C(=O)N[C@H]3CC(=O)OC3O,CHEMBL329940_active,CASP3,Active | |
| CN(C1CC1)S(=O)(=O)c3cncc(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc2ccc(F)cc2)c3,CHEMBL303405_active,CASP3,Active | |
| O=C(Nc2ccc1c(=O)[nH]c(=O)c(=O)c1c2)C3CCCCC3,CHEMBL205563_active,CASP3,Active | |
| FC(F)(F)c3cccc(c2noc(c1sccc1Cl)n2)c3,CHEMBL365384_active,CASP3,Active | |
| CC(C)C[C@H](NC(=O)COc2cccc(c1ccccc1)c2)C(=O)N[C@H]3CC(=O)OC3O,CHEMBL99680_active,CASP3,Active | |
| CC(C)C[C@H](NC(=O)COc2ccc(C1CCCC1)cc2)C(=O)N[C@H]3CC(=O)OC3O,CHEMBL99999_active,CASP3,Active | |
| CC(C)CC(NC(=O)CNCC(Cc1ccccc1)c2ccccc2)C(=O)N[C@H]3CC(=O)OC3O,CHEMBL101622_active,CASP3,Active | |
| O=c4n(Cc1ccccc1)c3ccc(S(=O)(=O)N2CCC2)cc3c4=C(C#N)C#N,CHEMBL516251_active,CASP3,Active | |
| CC(C)C[C@H](NC(=O)COc2cccc1CCCCc12)C(=O)N[C@H]3CC(=O)OC3O,CHEMBL318035_active,CASP3,Active | |
| O=c3n(Cc1ccccc1)c(=O)c2ccccc2c3=O,CHEMBL382859_active,CASP3,Active | |
| OC(=O)C[C@H](NC(=O)c2cncc(S(=O)(=O)NCc1ccccc1)c2)C(=O)CSCc3ccc(F)cc3,CHEMBL420366_active,CASP3,Active | |
| CC(C)C[C@H](NC(=O)COc2ccc(Cc1ccccc1)cc2)C(=O)N[C@H]3CC(=O)OC3O,CHEMBL322183_active,CASP3,Active | |
| OC(=O)C[C@H](NC(=O)c2cncc(S(=O)(=O)NC1CC1)c2)C(=O)Oc3ccccc3,CHEMBL302972_active,CASP3,Active | |
| Clc3ccc(c2noc(c1sccc1Cl)n2)nc3,CHEMBL361702_active,CASP3,Active | |
| OC(=O)CC(NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2)C(=O)CF,CHEMBL22597_active,CASP3,Active | |
| OC(=O)C[C@H](NC(=O)c3ccc(CNS(=O)(=O)c2cccc(c1noc(O)n1)c2)nc3)C=O,CHEMBL149663_active,CASP3,Active | |
| CC(C)C(NC(=O)COc2ccc1ccccc1c2C(O)=O)C(=O)N[C@H]3CC(=O)OC3O,CHEMBL327298_active,CASP3,Active | |
| CC(C)C[C@H](NC(=O)COc1cccc2cnccc12)C(=O)N[C@H]3CC(=O)OC3O,CHEMBL101684_active,CASP3,Active | |
| OC(=O)C[C@H](NC(=O)c2ccc(CNS(=O)(=O)c1ccc(O)c(C(O)=O)c1)nc2)C(=O)c4nc3ccccc3o4,CHEMBL147622_active,CASP3,Active | |
| OC(=O)CN(C(=O)CF)C(=O)[C@H]1CCCN1C(=O)OCc2ccccc2,CHEMBL393200_active,CASP3,Active | |
| CC(C)C[C@H](NC(=O)CCSc1cccc2ccccc12)C(=O)N[C@H]3CC(=O)OC3O,CHEMBL316465_active,CASP3,Active | |
| CC(C)C[C@H](NC(=O)COc1cccc2ncccc12)C(=O)N[C@H]3CC(=O)OC3O,CHEMBL318295_active,CASP3,Active | |
| CC(C)C[C@H](NC(=O)CCOc1ccccc1)C(=O)N[C@H]2CC(=O)OC2O,CHEMBL101714_active,CASP3,Active | |
| OC(=O)C[C@H](NC(=O)c3ccc(CNS(=O)(=O)c2cccc(c1nn[nH]n1)c2)nc3)C=O,CHEMBL149551_active,CASP3,Active | |
| COC(=O)Cn3c(=O)c2c(C)nc1ccc(Br)cc1c2c3=O,CHEMBL180385_active,CASP3,Active | |
| CC(C)C[C@H](NC(=O)COc1ccc(C)cc1C34CC2CC(CC(C2)C3)C4)C(=O)N[C@H]5CC(=O)OC5O,CHEMBL319554_active,CASP3,Active | |
| OC(=O)C[C@H](NC(=O)c2cnc(CNS(=O)(=O)c1ccc(O)c(C(O)=O)c1)cn2)C=O,CHEMBL148337_active,CASP3,Active | |
| FC(F)(F)c3ccc(c2noc(c1occc1Cl)n2)cc3,CHEMBL190297_active,CASP3,Active | |
| CC(C)C[C@H](NC(=O)COc1ccccc1Cc2ccccc2)C(=O)N[C@H]3CC(=O)OC3O,CHEMBL102005_active,CASP3,Active | |
| OC(=O)C[C@H](NC(=O)c2cncc(S(=O)(=O)NC1CC1)c2)C(=O)CNCc3c(F)cccc3F,CHEMBL68379_active,CASP3,Active | |
| CC(C)C[C@H](NC(=O)COc4ccc(C23CC1CC(CC(C1)C2)C3)cc4)C(=O)N[C@H]5CC(=O)OC5O,CHEMBL418983_active,CASP3,Active | |
| Clc4ccc(Cn2c(=O)c(=C(C#N)C#N)c3cc(S(=O)(=O)N1CCCCC1)ccc23)cc4Cl,CHEMBL492059_active,CASP3,Active | |
| O=c3n(CCc1ccccc1)c(=O)c2ccccc2c3=O,CHEMBL382860_active,CASP3,Active | |
| CC(C)C[C@H](NC(=O)COc2ccc(Oc1ccccc1)cc2)C(=O)N[C@H]3CC(=O)OC3O,CHEMBL102154_active,CASP3,Active | |
| CC(C)C[C@H](NC(=O)COc2ccc(OCc1ccccc1)cc2)C(=O)N[C@H]3CC(=O)OC3O,CHEMBL100788_active,CASP3,Active | |
| Clc3ccc(c2noc(c1occc1Cl)n2)nc3,CHEMBL365420_active,CASP3,Active | |
| Cn1c(=O)c(=O)c2cc(C#N)ccc12,CHEMBL64584_active,CASP3,Active | |
| O=c4n(Cc1ccccc1)c3ccc(S(=O)(=O)N2CCCC2)cc3c4=C(C#N)C#N,CHEMBL477047_active,CASP3,Active | |
| O=C(Nc1cccc2c(=O)[nH]c(=O)c(=O)c12)OCc3ccccc3,CHEMBL205083_active,CASP3,Active | |
| CC(C)C[C@H](NC(=O)COc2ccc(c1ccccc1)cc2)C(=O)N[C@H]3CC(=O)OC3O,CHEMBL101442_active,CASP3,Active | |
| CC(C)C[C@H](NC(=O)CCSc2ccc1ccccc1c2)C(=O)N[C@H]3CC(=O)OC3O,CHEMBL101728_active,CASP3,Active | |
| CC(C)C[C@H](NC(=O)Cc2ccc1ccccc1c2)C(=O)N[C@H]3CC(=O)OC3O,CHEMBL101108_active,CASP3,Active | |
| CC(C)C[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)N[C@H]3CC(=O)OC3O,CHEMBL318791_active,CASP3,Active | |
| CC(C)C[C@H](NC(=O)CCOc2ccc1ccccc1c2)C(=O)N[C@H]3CC(=O)OC3O,CHEMBL100802_active,CASP3,Active | |
| CC(C)C[C@H](NC(=O)CC(=O)c1cccc2ccccc12)C(=O)N[C@H]3CC(=O)OC3O,CHEMBL318887_active,CASP3,Active | |