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P42574 | CASP3_HUMAN | Caspase-3 (CASP3)

3D structures mapped by conservation among orthologs

[ Domain: "Caspase-like" // Peptidase_C14 ]

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[ Domain: pdbs with more than 2 multi-domains ]

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[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL180669 OBDepict CH 3 N CH 3 HN O HN H O O OH N CH 3 O N N H CH 3 CH 3 H 3 C N O H 3 C N IC50 = 0.0001 nM 590.73 CCCCCN(C)CNCC(=O)[C@H](CC(=O)O)NC(=O)C(CC)n1cc(C(C)(C)C)nc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829509 assay format
CHEMBL178116 OBDepict CH 3 N H NH O O HN H O O S O HO N H H O H 3 C O OH IC50 = 0.0003 nM 588.64 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 Homo sapiens CHEMBL829509 assay format
CHEMBL179503 OBDepict CH 3 N CH 3 O HN O O OH N CH 3 O N N H CH 3 CH 3 H 3 C N O H 3 C N ClH Ki = 0.0014 nM 598.15 CCCCCN(C)CC(=O)C(CC(=O)O)NC(=O)C(CC)n1cc(C(C)(C)C)nc(NCc2nonc2C)c1=O.Cl Homo sapiens CHEMBL841780 assay format
CHEMBL425699 OBDepict H 3 C O S NH O O O H 3 C H N H O CH 3 H 3 C H O S O OH IC50 = 0.005 nM 578.71 COc1ccc(S(C)(=O)=O)cc1CC(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)C(C)C Homo sapiens CHEMBL829509 assay format
CHEMBL369290 OBDepict H 3 C N CH 3 HN O HN H O O OH N CH 3 O N N H CH 3 N O H 3 C N IC50 = 0.006 nM 576.7 CCCCCCN(C)CNCC(=O)[C@H](CC(=O)O)NC(=O)C(CC)n1cc(CC)nc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829509 assay format
CHEMBL433771 OBDepict H 3 C N HN O O N N H H O S O OH N O H 3 C N IC50 = 0.0079 nM 528.59 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829509 assay format
CHEMBL178514 OBDepict H 3 C N CH 3 HN O HN H O O OH N CH 3 O N N H N O H 3 C N IC50 = 0.009 nM 576.7 CCCCCCCCN(C)CNCC(=O)[C@H](CC(=O)O)NC(=O)C(CC)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829509 assay format
CHEMBL359598 OBDepict H 3 C N CH 3 HN O HN H O O OH N CH 3 O N N H N O H 3 C N IC50 = 0.011 nM 548.65 CCCCCCN(C)CNCC(=O)[C@H](CC(=O)O)NC(=O)C(CC)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829509 assay format
CHEMBL180273 OBDepict H 3 C N HN O O N N H H O S O OH S N IC50 = 0.012 nM 529.64 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCc2cncs2)c1=O Homo sapiens CHEMBL829509 assay format
CHEMBL180646 OBDepict H 3 C N CH 3 HN O HN H O O OH N CH 3 O N N H H 3 C CH 3 N O H 3 C N IC50 = 0.013 nM 590.73 CCCCCCN(C)CNCC(=O)[C@H](CC(=O)O)NC(=O)C(CC)n1cc(C(C)C)nc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829509 assay format
CHEMBL360788 OBDepict CH 3 N NH O O N N H H O N H O HO N O CH 3 N N IC50 = 0.013 nM 566.62 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CNCN1CCc2ccccc2C1)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829509 assay format
CHEMBL181623 OBDepict CH 3 N CH 3 HN O HN H O O OH N CH 3 O N N H N O H 3 C N IC50 = 0.013 nM 534.62 CCCCCN(C)CNCC(=O)[C@H](CC(=O)O)NC(=O)C(CC)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829509 assay format
CHEMBL180623 OBDepict H 3 C N HN O O N N H H H 3 C H 3 C CH 3 O O OH N O H 3 C N IC50 = 0.014 nM 566.66 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CCCc1ccccc1)n1cc(C(C)(C)C)nc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829509 assay format
CHEMBL181274 OBDepict CH 3 N N H O O N N H H O N H O HO N O CH 3 N H 3 C H IC50 = 0.014 nM 525.57 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CN[C@@H](C)c1ccccc1)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829509 assay format
CHEMBL367356 OBDepict CH 3 N N H O O N NH H O N H O HO N O CH 3 N N IC50 = 0.014 nM 552.59 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CNCN1Cc2ccccc2C1)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829509 assay format
CHEMBL179551 OBDepict H 3 C N CH 3 HN O HN H O O OH N CH 3 O N N H N O H 3 C N IC50 = 0.015 nM 520.59 CCCCN(C)CNCC(=O)[C@H](CC(=O)O)NC(=O)C(CC)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829509 assay format
CHEMBL181763 OBDepict CH 3 N CH 3 HN O HN H O O OH N CH 3 O N N H N O H 3 C N IC50 = 0.017 nM 506.56 CCCN(C)CNCC(=O)[C@H](CC(=O)O)NC(=O)C(CC)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829509 assay format
CHEMBL181948 OBDepict CH 3 N N H O O N HN H O S O OH N N N IC50 = 0.018 nM 527.61 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCCn2cncn2)c1=O Homo sapiens CHEMBL829509 assay format
CHEMBL434147 OBDepict H 3 C N HN O O N N H H H 3 C H 3 C CH 3 O N H O OH N O H 3 C N N IC50 = 0.021 nM 574.68 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CNCN1CCCCC1)n1cc(C(C)(C)C)nc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829509 assay format
CHEMBL178674 OBDepict CH 3 N NH O O N N H H O N H O HO N O CH 3 N N IC50 = 0.023 nM 530.59 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CNCN1C2CCC1CC2)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829509 assay format
CHEMBL264344 OBDepict CH 3 N NH O O N N H H O N H O HO N O CH 3 N N H 3 C H 3 C IC50 = 0.026 nM 492.54 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CNCN(C)CC)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829509 assay format
CHEMBL181768 OBDepict H 3 C N HN O O N N H H O S O OH N S IC50 = 0.026 nM 529.64 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCc2nccs2)c1=O Homo sapiens CHEMBL829509 assay format
CHEMBL424789 OBDepict CH 3 N N H O O N N H H O N H O HO N O CH 3 N N IC50 = 0.033 nM 504.55 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CNCN1CCCC1)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829509 assay format
CHEMBL361613 OBDepict H 3 C N HN O O N N H H O S O OH S IC50 = 0.036 nM 528.66 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCc2cccs2)c1=O Homo sapiens CHEMBL829509 assay format
CHEMBL181027 OBDepict CH 3 N NH O O N N H H O N H O OH N O H 3 C N N CH 3 CH 3 IC50 = 0.042 nM 478.51 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CNCN(C)C)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829509 assay format
CHEMBL362191 OBDepict H 3 C N HN O O N N H H O S O OH N O IC50 = 0.046 nM 513.58 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCc2ccon2)c1=O Homo sapiens CHEMBL829509 assay format
CHEMBL360956 OBDepict H 3 C N HN O O N N H H O S O OH O N N CH 3 IC50 = 0.048 nM 528.59 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCc2nc(C)no2)c1=O Homo sapiens CHEMBL829509 assay format
CHEMBL180763 OBDepict H 3 C N HN O O N N H H O S O OH O N CH 3 IC50 = 0.051 nM 527.6 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCc2cc(C)no2)c1=O Homo sapiens CHEMBL829509 assay format
CHEMBL361983 OBDepict CH 3 N N H O O N NH H O S O HO O N N H 3 C IC50 = 0.053 nM 556.65 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCCCc2nc(C)no2)c1=O Homo sapiens CHEMBL829509 assay format
CHEMBL179066 OBDepict H 3 C N N H O O N HN H O N O O OH N O CH 3 N IC50 = 0.063 nM 535.52 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)c1ncc(-c2ccccc2)o1)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829509 assay format
CHEMBL178339 OBDepict CH 3 N N H O O N N H H CH 3 CH 3 H 3 C O CH 3 O OH N O H 3 C N IC50 = 0.064 nM 462.51 CCC(C(=O)N[C@@H](CC(=O)O)C(C)=O)n1cc(C(C)(C)C)nc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829509 assay format
CHEMBL359643 OBDepict CH 3 O NH N O N N H O CH 3 H O S O OH IC50 = 0.071 nM 504.61 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCCCOC)c1=O Homo sapiens CHEMBL829509 assay format
CHEMBL178280 OBDepict H 3 C N HN O O N N H H O S O OH N N O CH 3 IC50 = 0.072 nM 528.59 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCc2noc(C)n2)c1=O Homo sapiens CHEMBL829509 assay format
CHEMBL360355 OBDepict CH 3 N N H O O N N H H O O OH N O H 3 C N IC50 = 0.078 nM 392.37 CCC(C(=O)N[C@H](C=O)CC(=O)O)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829509 assay format
CHEMBL360915 OBDepict CH 3 N N H O O N HN H O S O OH O N N H 3 C IC50 = 0.08 nM 542.62 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCCc2nc(C)no2)c1=O Homo sapiens CHEMBL829509 assay format
CHEMBL447233 OBDepict CH 3 N N H O O N HN H O S O OH N N IC50 = 0.082 nM 526.62 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCCn2cccn2)c1=O Homo sapiens CHEMBL829509 assay format
CHEMBL181775 OBDepict H 3 C N HN O O N NH H O S O OH N S H 3 C IC50 = 0.088 nM 579.7 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(Nc2ccc3sc(C)nc3c2)c1=O Homo sapiens CHEMBL829509 assay format
CHEMBL181295 OBDepict H 3 C O N CH 3 HN O HN H O O OH N CH 3 O N N H N O H 3 C N IC50 = 0.1 nM 522.56 CCOCN(C)CNCC(=O)[C@H](CC(=O)O)NC(=O)C(CC)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829509 assay format
CHEMBL178775 OBDepict H 3 C N HN O O N N H H H 3 C H 3 C CH 3 O N H O OH N O H 3 C N N O IC50 = 0.11 nM 576.66 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CNCN1CCOCC1)n1cc(C(C)(C)C)nc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829509 assay format
CHEMBL181396 OBDepict CH 3 N NH O O N N H H O N H O HO N O CH 3 N N H 3 C H 3 C IC50 = 0.12 nM 506.56 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CNCN(CC)CC)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829509 assay format
CHEMBL362213 OBDepict CH 3 N N H O O N HN H O S O OH O O IC50 = 0.14 nM 580.66 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCC2COc3ccccc3O2)c1=O Homo sapiens CHEMBL829509 assay format
CHEMBL359542 OBDepict H 3 C O N H N O N N H O H 3 C H O S O OH IC50 = 0.14 nM 490.58 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCCOC)c1=O Homo sapiens CHEMBL829509 assay format
CHEMBL360020 OBDepict CH 3 N N H O O N HN H O S O OH N N CH 3 H 3 C IC50 = 0.16 nM 554.67 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCCn2nc(C)cc2C)c1=O Homo sapiens CHEMBL829509 assay format
CHEMBL182103 OBDepict CH 3 N NH O O N N H H O S O HO N O IC50 = 0.19 nM 557.67 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCCCN2CCCC2=O)c1=O Homo sapiens CHEMBL829509 assay format
CHEMBL213759 OBDepict F O N O O S N O O H O Ki = 0.2 nM 538.6 O=C1C(=O)N(Cc2ccc(OCCF)cc2)c2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)cc21 Homo sapiens CHEMBL909955 single protein format
CHEMBL220238 OBDepict CH 3 N NH O O N N H H O S O HO N O N IC50 = 0.31 nM 590.66 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCc2nnc(-c3ccccc3)o2)c1=O Homo sapiens CHEMBL829509 assay format
CHEMBL456799 OBDepict F N N N N O O S N O O H O F F IC50 = 0.5 nM 549.53 O=C1C(=O)N(Cc2cn(CCF)nn2)c2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccc(F)cc3F)cc21 Homo sapiens CHEMBL1687572 single protein format
CHEMBL3233630 OBDepict O N N H S O N O IC50 = 1.15 nM 355.42 O=C(Nc1ccc(N2CCOCC2)cc1)n1sc2ccccc2c1=O Homo sapiens CHEMBL3243714 single protein format
CHEMBL216819 OBDepict CH 3 O H N S O O N O H 3 C O Ki = 1.2 nM 338.39 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2C Homo sapiens CHEMBL909955 single protein format
CHEMBL430648 OBDepict HO O N H H N H O O H NH H HN O CH 3 H 3 C O H 3 C O HO H HO O O IC50 = 1.2 nM 502.48 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]1CC(=O)OC1O)C(C)C Homo sapiens CHEMBL658909 single protein format
CHEMBL595807 OBDepict O N N S N O O H O IC50 = 1.29 nM 465.58 O=C1C2=NCC3(CCC3)CN2c2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)cc21 Homo sapiens CHEMBL1039826 assay format
CHEMBL387041 OBDepict H 3 C O H N S O O N O O O Si H 3 C CH 3 H 3 C H 3 C CH 3 Ki = 1.9 nM 544.75 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1 Homo sapiens CHEMBL909955 single protein format
CHEMBL100588 OBDepict CH 3 H 3 C N H H N H O O H NH H OH O O O O O HO IC50 = 2.3 nM 493.51 CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)OCc1ccccc1)C(=O)N[C@H]1CC(=O)OC1O Homo sapiens CHEMBL658634 single protein format
CHEMBL594384 OBDepict O N N S N O O H O IC50 = 2.32 nM 479.6 O=C1C2=NCC3(CCCC3)CN2c2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)cc21 Homo sapiens CHEMBL1039826 assay format
CHEMBL216819 OBDepict CH 3 O H N S O O N O H 3 C O IC50 = 2.4 nM 338.39 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2C Homo sapiens CHEMBL909966 single protein format
CHEMBL606626 OBDepict O N N S N O O H O N CH 3 H 3 C IC50 = 2.4 nM 454.55 CC1(C)CN=C2C(=O)c3cc(S(=O)(=O)N4CCC[C@H]4COc4cccnc4)ccc3N2C1 Homo sapiens CHEMBL1039826 assay format
CHEMBL439753 OBDepict O O N S N O O H O IC50 = 2.5 nM 476.55 O=C1C(=O)N(Cc2ccccc2)c2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)cc21 Homo sapiens CHEMBL658912 single protein format
CHEMBL3359197 OBDepict OH N O Br O S N O O H O CH 3 IC50 = 2.6 nM 475.36 COC[C@@H]1CCCN1S(=O)(=O)c1cc(Br)c2c(c1)C(=O)C(=O)N2CCCCO Homo sapiens CHEMBL3377638 single protein format
CHEMBL3359202 OBDepict CH 3 N O F O S N O O H O CH 3 IC50 = 2.9 nM 398.46 CCCCN1C(=O)C(=O)c2cc(S(=O)(=O)N3CCC[C@H]3COC)cc(F)c21 Homo sapiens CHEMBL3377638 single protein format
CHEMBL2086889 OBDepict CH 3 O N N N H 3 C N O N H 3 C O IC50 = 3.0 nM 313.32 CCn1nc(-c2ccc(OC)cc2)nc2c(=O)n(C)c(=O)nc1-2 Homo sapiens CHEMBL2091155 single protein format
CHEMBL60671 OBDepict O O N H 3 C H 3 C CH 3 O O S N O O H O IC50 = 3.1 nM 500.57 CC(C)(C)OC(=O)CN1C(=O)C(=O)c2cc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)ccc21 Homo sapiens CHEMBL658912 single protein format
CHEMBL3133146 OBDepict F H N S O O N O O + N O _ O IC50 = 3.1 nM 447.44 O=C1C(=O)N(Cc2ccccc2[N+](=O)[O-])c2ccc(S(=O)(=O)N3CCC[C@H]3CF)cc21 Homo sapiens CHEMBL3134677 assay format
CHEMBL1762353 OBDepict F O N O O S N O O H O N IC50 = 3.1 nM 539.59 O=C1C(=O)N(Cc2ccc(OCCF)cc2)c2ccc(S(=O)(=O)N3CCC[C@H]3COc3cccnc3)cc21 Homo sapiens CHEMBL1764807 single protein format
CHEMBL225647 OBDepict O N H H O O HO N H H H 3 C CH 3 O HN H O O HO N H H O H 3 C O OH Ki = 3.2 nM 488.45 CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C=O)CC(=O)O)C(C)C Homo sapiens CHEMBL916261 assay format
CHEMBL603644 OBDepict H 3 C O H N S O O N O N IC50 = 3.3 nM 403.5 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C1=NCC3(CCC3)CN12 Homo sapiens CHEMBL1039826 assay format
CHEMBL1762350 OBDepict H 3 C O N O O S N O O H O N IC50 = 3.3 nM 493.54 COc1ccc(CN2C(=O)C(=O)c3cc(S(=O)(=O)N4CC[C@H]4COc4cccnc4)ccc32)cc1 Homo sapiens CHEMBL1764807 single protein format
CHEMBL328412 OBDepict HO O N H H HN O O H N H H N H O H 3 C CH 3 O OH O CH 3 H OH O O IC50 = 3.5 nM 488.45 CC(=O)N[C@@H](C(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H]1CC(=O)OC1O)C(C)C Homo sapiens CHEMBL658633 single protein format
CHEMBL227036 OBDepict Br N O O S N O O H O N IC50 = 3.6 nM 556.44 O=C1C(=O)N(Cc2ccc(Br)cc2)c2ccc(S(=O)(=O)N3CCC[C@H]3COc3cccnc3)cc21 Homo sapiens CHEMBL890414 single protein format
CHEMBL493375 OBDepict CH 3 O H N S O O N O O OH F IC50 = 3.6 nM 414.46 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2CCC(O)CF Homo sapiens CHEMBL1004121 single protein format
CHEMBL1762349 OBDepict F O N O O S N O O H O N IC50 = 3.6 nM 525.56 O=C1C(=O)N(Cc2ccc(OCCF)cc2)c2ccc(S(=O)(=O)N3CC[C@H]3COc3cccnc3)cc21 Homo sapiens CHEMBL1764807 single protein format
CHEMBL101545 OBDepict H 3 C H 3 C HN N H O O H O H OH O O O OH IC50 = 3.8 nM 486.52 CC(C)CC(NC(=O)[C@H](CCC(=O)O)Oc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O Homo sapiens CHEMBL658632 single protein format
CHEMBL387041 OBDepict H 3 C O H N S O O N O O O Si H 3 C CH 3 H 3 C H 3 C CH 3 IC50 = 3.8 nM 544.75 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1 Homo sapiens CHEMBL909966 single protein format
CHEMBL227035 OBDepict OH N O O S N O O H O N IC50 = 3.9 nM 493.54 O=C1C(=O)N(Cc2ccc(O)cc2)c2ccc(S(=O)(=O)N3CCC[C@H]3COc3cccnc3)cc21 Homo sapiens CHEMBL890414 single protein format
CHEMBL372322 OBDepict CH 3 O N O O S N O O H O N IC50 = 3.9 nM 507.57 COc1ccc(CN2C(=O)C(=O)c3cc(S(=O)(=O)N4CCC[C@H]4COc4cccnc4)ccc32)cc1 Homo sapiens CHEMBL864532 single protein format
CHEMBL200927 OBDepict OH N O O S N O O H O Ki = 4.0 nM 492.55 O=C1C(=O)N(Cc2ccc(O)cc2)c2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)cc21 Homo sapiens CHEMBL909955 single protein format
CHEMBL360360 OBDepict CH 3 N O N O S CH 3 N CH 3 N N O O O H 3 C IC50 = 4.0 nM 469.52 Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2c2c1C(=O)N(c1c(C)nn(C)c1C)C2=O Homo sapiens CHEMBL831642 single protein format
CHEMBL300369 OBDepict O O N S N O O H O N IC50 = 4.2 nM 477.54 O=C1C(=O)N(Cc2ccncc2)c2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)cc21 Homo sapiens CHEMBL658912 single protein format
CHEMBL3133149 OBDepict F H N S O O N O O N N N N IC50 = 4.4 nM 484.51 O=C1C(=O)N(Cc2nnnn2Cc2ccccc2)c2ccc(S(=O)(=O)N3CCC[C@H]3CF)cc21 Homo sapiens CHEMBL3134677 assay format
CHEMBL198755 OBDepict CH 3 S N O O S N O O H O N IC50 = 4.4 nM 523.64 CSc1ccc(CN2C(=O)C(=O)c3cc(S(=O)(=O)N4CCC[C@H]4COc4cccnc4)ccc32)cc1 Homo sapiens CHEMBL864532 single protein format
CHEMBL593476 OBDepict Cl N O H N S O O N O N CH 3 CH 3 IC50 = 4.43 nM 489.0 CC1(C)CN=C2C(=O)c3cc(S(=O)(=O)N4CCC[C@H]4COc4cncc(Cl)c4)ccc3N2C1 Homo sapiens CHEMBL1039826 assay format
CHEMBL1762363 OBDepict F N N N N O O S N O O H O N IC50 = 4.5 nM 514.54 O=C1C(=O)N(Cc2cn(CCF)nn2)c2ccc(S(=O)(=O)N3CCC[C@H]3COc3cccnc3)cc21 Homo sapiens CHEMBL1764807 single protein format
CHEMBL64219 OBDepict H 2 C N O O S N O O H O IC50 = 4.6 nM 426.49 C=CCN1C(=O)C(=O)c2cc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)ccc21 Homo sapiens CHEMBL658912 single protein format
CHEMBL2348701 OBDepict CH 3 N O O S N O O H O F IC50 = 4.79 nM 412.48 CCCCN1C(=O)C(=O)c2cc(S(=O)(=O)N3CCC[C@H]3COCCF)ccc21 Homo sapiens CHEMBL2352547 single protein format
CHEMBL200677 OBDepict CH 3 O N O O S N O O H O Ki = 4.8 nM 506.58 COc1ccc(CN2C(=O)C(=O)c3cc(S(=O)(=O)N4CCC[C@H]4COc4ccccc4)ccc32)cc1 Homo sapiens CHEMBL909955 single protein format
CHEMBL3359200 OBDepict F N O Cl O S N O O H O CH 3 IC50 = 4.8 nM 418.87 COC[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)c2c(c1)C(=O)C(=O)N2CCCF Homo sapiens CHEMBL3377638 single protein format
CHEMBL593222 OBDepict O N N S N O O H N O CH 3 H 3 C IC50 = 4.99 nM 446.57 CC1(C)CN=C2C(=O)c3cc(S(=O)(=O)N4CCC[C@H]4CN4CCOCC4)ccc3N2C1 Homo sapiens CHEMBL1039826 assay format
CHEMBL248508 OBDepict CH 3 N N H O O N N H H CH 3 H 3 C CH 3 O N N O HO N H N IC50 = 5.0 nM 538.61 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CCCc1ccccc1)n1cc(C(C)(C)C)nc(Nc2nnn[nH]2)c1=O Homo sapiens CHEMBL903359 single protein format
CHEMBL183379 OBDepict H 3 C O HO H Br HN O H N H O H 3 C CH 3 H O S O OH IC50 = 5.0 nM 595.51 COc1ccc(Br)cc1[C@@H](O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)C(C)C Homo sapiens CHEMBL828520 single protein format
CHEMBL181241 OBDepict F O NH O O OH O H H 3 C CH 3 NH O Cl Cl IC50 = 5.0 nM 437.25 CC(C)[C@H](OC(=O)Nc1cc(Cl)ccc1Cl)C(=O)NC(CC(=O)O)C(=O)CF Homo sapiens CHEMBL828536 single protein format
CHEMBL64895 OBDepict O N O S N O O H O IC50 = 5.2 nM 482.6 O=C1C(=O)N(CC2CCCCC2)c2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)cc21 Homo sapiens CHEMBL658912 single protein format
CHEMBL197549 OBDepict O O N S N O O H O N IC50 = 5.2 nM 477.54 O=C1C(=O)N(Cc2ccccc2)c2ccc(S(=O)(=O)N3CCC[C@H]3COc3cccnc3)cc21 Homo sapiens CHEMBL864532 single protein format
CHEMBL493926 OBDepict CH 3 N O O S N O O H O CH 3 IC50 = 5.3 nM 366.44 CCCN1C(=O)C(=O)c2cc(S(=O)(=O)N3CCC[C@H]3COC)ccc21 Homo sapiens CHEMBL1012730 single protein format
CHEMBL1762362 OBDepict F N N N N O O S N O O H O N IC50 = 5.6 nM 500.51 O=C1C(=O)N(Cc2cn(CCF)nn2)c2ccc(S(=O)(=O)N3CC[C@H]3COc3cccnc3)cc21 Homo sapiens CHEMBL1764807 single protein format
CHEMBL371687 OBDepict F N N O O S N O O H O IC50 = 5.8 nM 481.51 O=C1C(=O)N(Cc2cccc(F)n2)c2ccc(S(=O)(=O)N3CC[C@H]3COc3ccccc3)cc21 Homo sapiens CHEMBL864532 single protein format
CHEMBL217457 OBDepict CH 3 O H N S O O N O O I Ki = 5.9 nM 540.38 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(I)cc1 Homo sapiens CHEMBL909955 single protein format
CHEMBL1762357 OBDepict N N O N S N O O H O N O H 3 C IC50 = 6.0 nM 541.59 COc1ccc(CN2C(=O)C(=C(C#N)C#N)c3cc(S(=O)(=O)N4CC[C@H]4COc4cccnc4)ccc32)cc1 Homo sapiens CHEMBL1764807 single protein format
CHEMBL594873 OBDepict H 3 C O H N S O O N O N CH 3 CH 3 IC50 = 6.0 nM 391.49 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C1=NCC(C)(C)CN12 Homo sapiens CHEMBL1039826 assay format
CHEMBL4225291 OBDepict H NH O O O OH O F F N F F O IC50 = 6.0 nM 502.46 O=C(O)C[C@H](NC(=O)C1CCN(C(=O)C2CCCC2)CC1)C(=O)COc1c(F)c(F)cc(F)c1F Homo sapiens CHEMBL4223549 cell-based format
CHEMBL4224765 OBDepict H NH O O O OH O F F N F F O IC50 = 6.0 nM 488.43 O=C(O)C[C@H](NC(=O)C1CCN(C(=O)C2CCC2)CC1)C(=O)COc1c(F)c(F)cc(F)c1F Homo sapiens CHEMBL4223549 cell-based format
CHEMBL4228386 OBDepict H HN O O O HO O F F N F F O IC50 = 6.0 nM 474.41 O=C(O)C[C@H](NC(=O)C1CCN(C(=O)C2CC2)CC1)C(=O)COc1c(F)c(F)cc(F)c1F Homo sapiens CHEMBL4223549 cell-based format