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Q14790 | CASP8_HUMAN | Caspase-8 (CASP8)

3D structures mapped by conservation among orthologs

[ Domain: "DEATH domain" // DED ]

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[ 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
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 = 0.22 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 CHEMBL829511 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 = 0.49 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 CHEMBL829511 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 = 0.99 nM 392.37 CCC(C(=O)N[C@H](C=O)CC(=O)O)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829511 assay format
CHEMBL3934331 OBDepict F O HN O O OH HN H H 3 C H 3 C O NH O Ki = 1.3 nM 445.45 CC(C)[C@H](NC(=O)C(=O)Nc1cccc2ccccc12)C(=O)NC(CC(=O)O)C(=O)CF Homo sapiens CHEMBL3881127 single protein 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 = 1.66 nM 554.67 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCCn2nc(C)cc2C)c1=O Homo sapiens CHEMBL829511 assay format
CHEMBL181768 OBDepict H 3 C N HN O O N N H H O S O OH N S IC50 = 1.75 nM 529.64 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCc2nccs2)c1=O Homo sapiens CHEMBL829511 assay format
CHEMBL315868 OBDepict OH O N H H O O O N H H CH 3 CH 3 F F O F F NH O F F Ki = 1.9 nM 577.43 CC(C)[C@H](NC(=O)C(=O)Nc1c(F)cccc1F)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F Homo sapiens CHEMBL3881127 single protein format
CHEMBL361613 OBDepict H 3 C N HN O O N N H H O S O OH S IC50 = 2.09 nM 528.66 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCc2cccs2)c1=O Homo sapiens CHEMBL829511 assay format
CHEMBL194207 OBDepict OH O N H H O O O P HN CH 3 H O O HN O Cl Ki = 2.1 nM 599.96 C[C@H](NC(=O)C(=O)Nc1ccccc1Cl)C(=O)N[C@@H](CC(=O)O)C(=O)COP(=O)(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL3881127 single protein format
CHEMBL447233 OBDepict CH 3 N N H O O N HN H O S O OH N N IC50 = 2.26 nM 526.62 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCCn2cccn2)c1=O Homo sapiens CHEMBL829511 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 = 2.46 nM 528.59 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829511 assay format
CHEMBL3914770 OBDepict OH O N H H O O O P HN CH 3 H O O HN O Ki = 2.5 nM 571.57 C[C@H](NC(=O)C(=O)NC1CCCCC1)C(=O)N[C@@H](CC(=O)O)C(=O)COP(=O)(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL3881127 single protein format
CHEMBL3917557 OBDepict OH O N H H O O O N H CH 3 H O O Cl Cl HN O Ki = 2.6 nM 544.39 C[C@H](NC(=O)C(=O)NC1CCCCC1)C(=O)N[C@@H](CC(=O)O)C(=O)COC(=O)c1c(Cl)cccc1Cl Homo sapiens CHEMBL3881127 single protein format
CHEMBL181775 OBDepict H 3 C N HN O O N NH H O S O OH N S H 3 C IC50 = 2.73 nM 579.7 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(Nc2ccc3sc(C)nc3c2)c1=O Homo sapiens CHEMBL829511 assay format
CHEMBL362191 OBDepict H 3 C N HN O O N N H H O S O OH N O IC50 = 2.9 nM 513.58 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCc2ccon2)c1=O Homo sapiens CHEMBL829511 assay format
CHEMBL93960 OBDepict HO O N H H O O O N H H CH 3 H 3 C F F O F F N H O CH 3 CH 3 H 3 C Ki = 3.0 nM 597.56 CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1C(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F Homo sapiens CHEMBL3881127 single protein format
CHEMBL90589 OBDepict H 3 C O HN O HN O H N H O CH 3 CH 3 H O O O HO F F F F Ki = 3.0 nM 571.48 COc1ccccc1NC(=O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F)C(C)C Homo sapiens CHEMBL3881127 single protein format
CHEMBL180763 OBDepict H 3 C N HN O O N N H H O S O OH O N CH 3 IC50 = 3.3 nM 527.6 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCc2cc(C)no2)c1=O Homo sapiens CHEMBL829511 assay format
CHEMBL3983217 OBDepict OH O N H H O O O P HN CH 3 H O O HN O F Ki = 3.6 nM 583.51 C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)COP(=O)(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL3881127 single protein format
CHEMBL88540 OBDepict OH O NH H O O O NH H CH 3 CH 3 F F O F F NH O Ki = 3.7 nM 591.51 CC(C)[C@H](NC(=O)C(=O)Nc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F Homo sapiens CHEMBL3881127 single protein format
CHEMBL3944828 OBDepict OH O HN H O O O N H H 3 C H O O Cl Cl NH O Ki = 4.0 nM 592.43 C[C@H](NC(=O)C(=O)Nc1cccc2c1CCCC2)C(=O)N[C@@H](CC(=O)O)C(=O)COC(=O)c1c(Cl)cccc1Cl Homo sapiens CHEMBL3881127 single protein 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 IC50 = 4.03 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 CHEMBL829511 assay format
CHEMBL478695 OBDepict O N H H O O OH N H H OH H 3 C H O NH H O NH H O HO CH 3 H H 3 C O H 3 C IC50 = 4.2 nM 502.52 CC[C@H](C)[C@H](NC(C)=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@@H](C)O Homo sapiens CHEMBL960161 single protein 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 = 4.29 nM 552.59 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CNCN1Cc2ccccc2C1)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829511 assay format
CHEMBL382967 OBDepict HO O N H H O O O N H H 3 C H O O Cl Cl NH O Cl Ki = 4.6 nM 572.79 C[C@H](NC(=O)C(=O)Nc1ccccc1Cl)C(=O)N[C@@H](CC(=O)O)C(=O)COC(=O)c1c(Cl)cccc1Cl Homo sapiens CHEMBL3881127 single protein format
CHEMBL1199647 OBDepict HO O N H H O O O N H H CH 3 H 3 C F F O F F HN O N N Ki = 4.7 nM 543.43 CC(C)[C@H](NC(=O)C(=O)Nc1cnccn1)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F Homo sapiens CHEMBL3881127 single protein format
CHEMBL220238 OBDepict CH 3 N NH O O N N H H O S O HO N O N IC50 = 4.92 nM 590.66 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCc2nnc(-c3ccccc3)o2)c1=O Homo sapiens CHEMBL829511 assay format
CHEMBL327207 OBDepict HO O N H H O O O N H H CH 3 H 3 C F F O F F HN O Ki = 5.0 nM 541.45 CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F Homo sapiens CHEMBL3881127 single protein format
CHEMBL90914 OBDepict OH O HN H O O O HN H H 3 C H 3 C F F O HN O Ki = 5.0 nM 555.53 CC(C)[C@H](NC(=O)C(=O)Nc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)cccc1F Homo sapiens CHEMBL3881127 single protein format
CHEMBL315954 OBDepict OH O N H H O O O N H H CH 3 CH 3 F F O F F NH O Ki = 5.0 nM 555.48 CC(C)[C@H](NC(=O)C(=O)NCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F Homo sapiens CHEMBL3881127 single protein format
CHEMBL330534 OBDepict OH O NH H O O O NH H CH 3 CH 3 F F O F F NH O Ki = 5.2 nM 595.55 CC(C)[C@H](NC(=O)C(=O)NC1CCCc2ccccc21)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F Homo sapiens CHEMBL3881127 single protein 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 = 5.28 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 CHEMBL829511 assay format
CHEMBL430839 OBDepict OH O HN H O O O HN H H 3 C H 3 C F F O HN O F Ki = 5.3 nM 573.52 CC(C)[C@H](NC(=O)C(=O)Nc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)cc(F)cc1F Homo sapiens CHEMBL3881127 single protein format
CHEMBL88795 OBDepict OH O N H H O O O P N H H O CH 3 H 3 C CH 3 O NH O Ki = 5.4 nM 581.56 CC(C)[C@H](NC(=O)C(=O)Nc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)COP(C)(=O)c1ccccc1 Homo sapiens CHEMBL3881127 single protein format
CHEMBL3906503 OBDepict OH O HN H O O O HN H H 3 C H 3 C O HN O HO Ki = 5.7 nM 535.55 CC(C)[C@H](NC(=O)C(=O)Nc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)COc1ccc(O)cc1 Homo sapiens CHEMBL3881127 single protein format
CHEMBL3913186 OBDepict OH O N H H O O O HN H 3 C H F O NH O Ki = 5.8 nM 535.53 C[C@H](NC(=O)C(=O)Nc1ccccc1-c1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)COc1ccccc1F Homo sapiens CHEMBL3881127 single protein format
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 = 5.95 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 CHEMBL829511 assay format
CHEMBL185356 OBDepict F O HN O O HO HN H H 3 C H 3 C O O Cl Cl IC50 = 6.0 nM 451.28 CC(C)[C@H](NC(=O)OCc1ccc(Cl)cc1Cl)C(=O)NC(CC(=O)O)C(=O)CF Homo sapiens CHEMBL827796 single protein format
CHEMBL237310 OBDepict F O N H O OH O NH O HN H CH 3 H 3 C O O IC50 = 6.0 nM 487.48 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1C(=O)NC(C(=O)O)C(=O)CF Homo sapiens CHEMBL899139 single protein 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 = 6.22 nM 504.55 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CNCN1CCCC1)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829511 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 = 6.42 nM 528.59 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCc2nc(C)no2)c1=O Homo sapiens CHEMBL829511 assay format
CHEMBL180273 OBDepict H 3 C N HN O O N N H H O S O OH S N IC50 = 6.59 nM 529.64 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCc2cncs2)c1=O Homo sapiens CHEMBL829511 assay format
CHEMBL90224 OBDepict O N H H O O OH NH H O H 3 C CH 3 NH IC50 = 7.0 nM 413.47 CC(C)C[C@H](NC(=O)CNc1cccc2ccccc12)C(=O)N[C@H](C=O)CC(=O)O Homo sapiens CHEMBL657316 single protein format
CHEMBL23226 OBDepict F O HN O HO O HN H CH 3 H 3 C O O IC50 = 7.0 nM 382.39 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(CC(=O)O)C(=O)CF Homo sapiens CHEMBL885064 single protein 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 = 7.38 nM 566.62 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CNCN1CCc2ccccc2C1)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829511 assay format
CHEMBL3981787 OBDepict OH O N H H O O O HN H H 3 C CH 3 F F O F F HN O Ki = 7.4 nM 583.53 CC(C)[C@H](NC(=O)C(=O)NC1=CC2CCCC2C=C1)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F Homo sapiens CHEMBL3881127 single protein format
CHEMBL178280 OBDepict H 3 C N HN O O N N H H O S O OH N N O CH 3 IC50 = 7.56 nM 528.59 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCc2noc(C)n2)c1=O Homo sapiens CHEMBL829511 assay format
CHEMBL322631 OBDepict H 3 C CH 3 N H N H O O H NH OH O O IC50 = 7.6 nM 413.47 CC(C)CC(NC(=O)CNc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O Homo sapiens CHEMBL659710 single protein format
CHEMBL359643 OBDepict CH 3 O NH N O N N H O CH 3 H O S O OH IC50 = 7.65 nM 504.61 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCCCOC)c1=O Homo sapiens CHEMBL829511 assay format
CHEMBL3910303 OBDepict HO O N H H O O O P HN CH 3 H O O HN O Ki = 8.1 nM 593.57 C[C@H](NC(=O)C(=O)NCCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)COP(=O)(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL3881127 single protein format
CHEMBL362213 OBDepict CH 3 N N H O O N HN H O S O OH O O IC50 = 8.22 nM 580.66 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCC2COc3ccccc3O2)c1=O Homo sapiens CHEMBL829511 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 = 9.04 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 CHEMBL829511 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 = 9.1 nM 542.62 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCCc2nc(C)no2)c1=O Homo sapiens CHEMBL829511 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 = 9.22 nM 530.59 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CNCN1C2CCC1CC2)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829511 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 = 9.26 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 CHEMBL829511 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 = 9.54 nM 576.7 CCCCCCN(C)CNCC(=O)[C@H](CC(=O)O)NC(=O)C(CC)n1cc(CC)nc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829511 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 = 9.57 nM 535.52 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)c1ncc(-c2ccccc2)o1)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829511 assay format
CHEMBL3966591 OBDepict OH O N H H O O O HN H 3 C H F F O F F N H O Ki = 9.7 nM 577.49 C[C@H](NC(=O)C(=O)NCc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F Homo sapiens CHEMBL3881127 single protein format
CHEMBL182103 OBDepict CH 3 N NH O O N N H H O S O HO N O IC50 = 9.92 nM 557.67 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCCCN2CCCC2=O)c1=O Homo sapiens CHEMBL829511 assay format
CHEMBL90268 OBDepict OH O N H H O O O N H H CH 3 CH 3 O NH O Ki = 10.0 nM 569.61 CC(C)[C@H](NC(=O)C(=O)Nc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)COc1cccc2ccccc12 Homo sapiens CHEMBL3881127 single protein 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 = 10.0 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 CHEMBL829511 assay format
CHEMBL3922955 OBDepict H 3 C O O O N H H O O HO NH H H 3 C CH 3 O N H O Ki = 12.0 nM 577.63 CCCOc1ccc(OCC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)C(=O)Nc2cccc3ccccc23)C(C)C)cc1 Homo sapiens CHEMBL3881127 single protein format
CHEMBL91305 OBDepict OH O HN H O O O HN H N H 3 C H 3 C O N HN O F F F Ki = 12.0 nM 589.53 CC(C)[C@H](NC(=O)C(=O)Nc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)COc1ccnc(C(F)(F)F)n1 Homo sapiens CHEMBL3881127 single protein format
CHEMBL100643 OBDepict H 3 C H 3 C HN N H O O H O H OH O O O OH IC50 = 12.0 nM 486.52 CC(C)CC(NC(=O)[C@@H](CCC(=O)O)Oc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O Homo sapiens CHEMBL659710 single protein format
CHEMBL440211 OBDepict HO O N H H O O O HN CH 3 H F F O F F HN O F Ki = 13.0 nM 531.39 C[C@H](NC(=O)C(=O)Nc1ccccc1F)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F Homo sapiens CHEMBL3881127 single protein format
CHEMBL198644 OBDepict O O HO H HN O H N N O H O O H N H O IC50 = 13.0 nM 576.61 O=C1C[C@H](NC(=O)[C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]3C/C=CC[C@H](NC(=O)c4ccccc4)C(=O)N32)C(O)O1 Homo sapiens CHEMBL853285 single protein 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 = 14.0 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 CHEMBL903361 single protein format
CHEMBL314733 OBDepict OH O N H H O O O N H H CH 3 CH 3 F F O F F NH O F Ki = 15.0 nM 559.44 CC(C)[C@H](NC(=O)C(=O)Nc1ccc(F)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F Homo sapiens CHEMBL3881127 single protein format
CHEMBL180263 OBDepict F O N H O O OH O H CH 3 H 3 C N H O IC50 = 17.0 nM 368.36 CC(C)[C@H](OC(=O)Nc1ccccc1)C(=O)NC(CC(=O)O)C(=O)CF Homo sapiens CHEMBL827039 single protein format
CHEMBL3142757 OBDepict H 3 C CH 3 NH H NH O O H NH H 3 C OH O O IC50 = 17.0 nM 427.5 CC(C)C[C@H](NC(=O)C(C)Nc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O Homo sapiens CHEMBL659710 single protein format
CHEMBL205821 OBDepict F O N H H O O HO HN CH 3 H O HN H H 3 C H 3 C O O Ki = 18.0 nM 453.47 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)CF Homo sapiens CHEMBL3881127 single protein format
CHEMBL197674 OBDepict OH O N H H O O O N H CH 3 H O O Cl Cl HN O H 3 C CH 3 H 3 C Ki = 22.0 nM 594.45 C[C@H](NC(=O)C(=O)Nc1ccccc1C(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)COC(=O)c1c(Cl)cccc1Cl Homo sapiens CHEMBL3881127 single protein format
CHEMBL91236 OBDepict H 3 C O O O N O O N H H O O HO NH H H 3 C CH 3 O N H O Ki = 23.0 nM 568.54 COC(=O)c1cc(OCC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)C(=O)Nc2cccc3ccccc23)C(C)C)no1 Homo sapiens CHEMBL3881127 single protein format
CHEMBL3951248 OBDepict OH O N H H O O O N H H CH 3 H 3 C O CH 3 O O NH O Ki = 29.0 nM 551.55 Cc1cc(OCC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)C(=O)Nc2cccc3ccccc23)C(C)C)cc(=O)o1 Homo sapiens CHEMBL3881127 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 = 30.0 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 CHEMBL659711 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 = 31.0 nM 486.52 CC(C)CC(NC(=O)[C@H](CCC(=O)O)Oc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O Homo sapiens CHEMBL659710 single protein format
CHEMBL197127 OBDepict O O HO H N H O H N N O H O H HN O IC50 = 38.0 nM 548.6 O=C1C[C@H](NC(=O)[C@@H]2CN(C(=O)c3ccccc3)C[C@@H]3CCCC[C@H](NC(=O)c4ccccc4)C(=O)N32)C(O)O1 Homo sapiens CHEMBL853285 single protein format
CHEMBL90516 OBDepict HO O N H H O O O N H H CH 3 H 3 C F F O F F HN O F Ki = 40.0 nM 559.44 CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1F)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F Homo sapiens CHEMBL3881127 single protein format
CHEMBL327683 OBDepict HO O HN H O O O HN H CH 3 H 3 C F F O F F N H O Ki = 40.0 nM 599.58 CC(C)[C@H](NC(=O)C(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F Homo sapiens CHEMBL3881127 single protein format
CHEMBL3907290 OBDepict HO O N H H O O O N H H 3 C H O O Cl Cl NH O F Ki = 40.0 nM 556.33 C[C@H](NC(=O)C(=O)Nc1ccccc1F)C(=O)N[C@@H](CC(=O)O)C(=O)COC(=O)c1c(Cl)cccc1Cl Homo sapiens CHEMBL3881127 single protein format
CHEMBL437526 OBDepict H 3 C O H O H HN O O H N N O O H N H O N IC50 = 40.0 nM 523.55 CCO[C@@H]1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCCN2C(=O)CC[C@H](NC(=O)c3nccc4ccccc34)C(=O)N12 Homo sapiens CHEMBL865480 single protein format
CHEMBL3945053 OBDepict HO O N H H O O O HN CH 3 H F O HN O H 3 C CH 3 H 3 C Ki = 45.0 nM 515.54 C[C@H](NC(=O)C(=O)Nc1ccccc1C(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)COc1ccccc1F Homo sapiens CHEMBL3881127 single protein format
CHEMBL101145 OBDepict O N H O HN O H 3 C CH 3 H O OH OH O O IC50 = 48.0 nM 444.44 CC(C)C(NC(=O)COc1c(C(=O)O)ccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O Homo sapiens CHEMBL659710 single protein format
CHEMBL147642 OBDepict O HN H O O OH S N H S O O OH O OH Ki = 50.0 nM 456.45 O=C[C@H](CC(=O)O)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(C(=O)O)c2)s1 Homo sapiens CHEMBL659701 single protein format
CHEMBL92848 OBDepict HO O N H H O O O N H H CH 3 H 3 C F F O F F HN O Cl Ki = 52.0 nM 575.9 CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1Cl)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F Homo sapiens CHEMBL3881127 single protein format
CHEMBL3928643 OBDepict OH O N H H O O O N H CH 3 H O O Cl Cl N H O Ki = 62.0 nM 552.37 C[C@H](NC(=O)C(=O)NCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)COC(=O)c1c(Cl)cccc1Cl Homo sapiens CHEMBL3881127 single protein format
CHEMBL209626 OBDepict O O HO H N H O NH O HN O IC50 = 70.0 nM 439.47 O=C1C[C@H](NC(=O)C2(C(=O)NNC(=O)c3cccc4ccccc34)CCCCC2)C(O)O1 Homo sapiens CHEMBL865480 single protein format
CHEMBL3947447 OBDepict OH O NH H O O O N H CH 3 H F F O F F HN O Ki = 74.0 nM 567.49 C[C@H](NC(=O)C(=O)Nc1cccc2c1CCCC2)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F Homo sapiens CHEMBL3881127 single protein format
CHEMBL3968852 OBDepict OH O N H H O O O N H CH 3 H O O Cl Cl N H O Ki = 80.0 nM 596.46 C[C@H](NC(=O)C(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](CC(=O)O)C(=O)COC(=O)c1c(Cl)cccc1Cl Homo sapiens CHEMBL3881127 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 = 80.0 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 CHEMBL659709 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 = 80.0 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 CHEMBL659711 single protein format
CHEMBL197242 OBDepict OH O N H H O O O N H CH 3 H F F O F F N H O Ki = 83.0 nM 527.43 C[C@H](NC(=O)C(=O)NCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F Homo sapiens CHEMBL3881127 single protein format
CHEMBL3897550 OBDepict HO O HN H O O O N H CH 3 H F F O F F N H O Ki = 85.0 nM 571.52 C[C@H](NC(=O)C(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F Homo sapiens CHEMBL3881127 single protein format
CHEMBL212981 OBDepict O O HO H N H O NH O HN O IC50 = 90.0 nM 425.44 O=C1C[C@H](NC(=O)C2(C(=O)NNC(=O)c3cccc4ccccc34)CCCC2)C(O)O1 Homo sapiens CHEMBL865480 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 = 104.0 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 CHEMBL828522 single protein format
CHEMBL199264 OBDepict O O OH H NH O H N N S O H O O H N H O IC50 = 106.0 nM 584.65 O=C1C[C@H](NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]3CCCC[C@H](NC(=O)c4ccccc4)C(=O)N32)C(O)O1 Homo sapiens CHEMBL853285 single protein format
CHEMBL3954160 OBDepict HO O N H H O O O N H H CH 3 H 3 C F F O F F HN O N N H Ki = 128.0 nM 581.48 CC(C)[C@H](NC(=O)C(=O)Nc1nc2ccccc2[nH]1)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F Homo sapiens CHEMBL3881127 single protein format
CHEMBL417149 OBDepict O N H H O O HO N H H H 3 C CH 3 O HN H O N H H O OH O H 3 C O OH IC50 = 130.0 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](C=O)CC(=O)O)C(C)C Homo sapiens CHEMBL659708 single protein format
CHEMBL213952 OBDepict O O HO H N H O N H O N H O IC50 = 130.0 nM 411.41 O=C1C[C@H](NC(=O)C2(C(=O)NNC(=O)c3cccc4ccccc34)CCC2)C(O)O1 Homo sapiens CHEMBL865480 single protein format
CHEMBL422849 OBDepict O N H H O O OH N H S O O OH O OH Ki = 150.0 nM 450.43 O=C[C@H](CC(=O)O)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(C(=O)O)c2)cc1 Homo sapiens CHEMBL659701 single protein format