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P55210 | CASP7_HUMAN | Caspase-7 (CASP7)

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
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 = 0.01 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 CHEMBL829510 assay 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 = 0.036 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 CHEMBL829510 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 = 0.065 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 CHEMBL829510 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 = 0.083 nM 566.62 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CNCN1CCc2ccccc2C1)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829510 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 IC50 = 0.09 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 CHEMBL829510 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 = 0.1 nM 576.7 CCCCCCCCN(C)CNCC(=O)[C@H](CC(=O)O)NC(=O)C(CC)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829510 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 = 0.11 nM 534.62 CCCCCN(C)CNCC(=O)[C@H](CC(=O)O)NC(=O)C(CC)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829510 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 = 0.12 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 CHEMBL829510 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 = 0.13 nM 520.59 CCCCN(C)CNCC(=O)[C@H](CC(=O)O)NC(=O)C(CC)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829510 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 = 0.13 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 CHEMBL829510 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 = 0.13 nM 552.59 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CNCN1Cc2ccccc2C1)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829510 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 = 0.14 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 CHEMBL829510 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 = 0.14 nM 548.65 CCCCCCN(C)CNCC(=O)[C@H](CC(=O)O)NC(=O)C(CC)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829510 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 = 0.26 nM 530.59 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CNCN1C2CCC1CC2)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829510 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 = 0.31 nM 478.51 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CNCN(C)C)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829510 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 = 0.32 nM 506.56 CCCN(C)CNCC(=O)[C@H](CC(=O)O)NC(=O)C(CC)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829510 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 = 0.41 nM 504.55 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CNCN1CCCC1)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829510 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 = 0.48 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 CHEMBL829510 assay format
CHEMBL180273 OBDepict H 3 C N HN O O N N H H O S O OH S N IC50 = 0.49 nM 529.64 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCc2cncs2)c1=O Homo sapiens CHEMBL829510 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 = 0.54 nM 492.54 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CNCN(C)CC)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829510 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 = 0.54 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 CHEMBL829510 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 = 0.6 nM 576.7 CCCCCCN(C)CNCC(=O)[C@H](CC(=O)O)NC(=O)C(CC)n1cc(CC)nc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829510 assay format
CHEMBL467252 OBDepict H 3 C O H N S O O N O O O CH 2 IC50 = 0.6 nM 470.55 C=CCOc1ccc(CN2C(=O)C(=O)c3cc(S(=O)(=O)N4CCC[C@H]4COC)ccc32)cc1 Homo sapiens CHEMBL1006645 single protein 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 = 0.73 nM 528.59 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829510 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 = 0.75 nM 535.52 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)c1ncc(-c2ccccc2)o1)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829510 assay format
CHEMBL361613 OBDepict H 3 C N HN O O N N H H O S O OH S IC50 = 0.81 nM 528.66 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCc2cccs2)c1=O Homo sapiens CHEMBL829510 assay format
CHEMBL2381343 OBDepict CH 3 O H N S O O N O O F H HO IC50 = 0.951 nM 414.46 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2CC[C@H](F)CO Homo sapiens CHEMBL2382935 single protein format
CHEMBL360355 OBDepict CH 3 N N H O O N N H H O O OH N O H 3 C N IC50 = 1.0 nM 392.37 CCC(C(=O)N[C@H](C=O)CC(=O)O)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829510 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 = 1.01 nM 522.56 CCOCN(C)CNCC(=O)[C@H](CC(=O)O)NC(=O)C(CC)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829510 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 = 1.04 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 CHEMBL829510 assay format
CHEMBL181768 OBDepict H 3 C N HN O O N N H H O S O OH N S IC50 = 1.13 nM 529.64 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCc2nccs2)c1=O Homo sapiens CHEMBL829510 assay format
CHEMBL217457 OBDepict CH 3 O H N S O O N O O I IC50 = 1.8 nM 540.38 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(I)cc1 Homo sapiens CHEMBL909399 single protein format
CHEMBL523666 OBDepict H 3 C O H N S O O N O O O IC50 = 1.9 nM 456.52 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(C2CO2)cc1 Homo sapiens CHEMBL1006645 single protein format
CHEMBL494220 OBDepict CH 3 O H N S O O N O O O O IC50 = 2.4 nM 486.55 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(OCC2CO2)cc1 Homo sapiens CHEMBL1006645 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 = 2.42 nM 579.7 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(Nc2ccc3sc(C)nc3c2)c1=O Homo sapiens CHEMBL829510 assay format
CHEMBL180763 OBDepict H 3 C N HN O O N N H H O S O OH O N CH 3 IC50 = 2.54 nM 527.6 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCc2cc(C)no2)c1=O Homo sapiens CHEMBL829510 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 = 2.6 nM 556.65 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCCCc2nc(C)no2)c1=O Homo sapiens CHEMBL829510 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 = 3.24 nM 506.56 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CNCN(CC)CC)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829510 assay format
CHEMBL362213 OBDepict CH 3 N N H O O N HN H O S O OH O O IC50 = 3.28 nM 580.66 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCC2COc3ccccc3O2)c1=O Homo sapiens CHEMBL829510 assay format
CHEMBL3359194 OBDepict CH 3 N O Br O S N O O H O CH 3 IC50 = 3.3 nM 459.36 CCCCN1C(=O)C(=O)c2cc(S(=O)(=O)N3CCC[C@H]3COC)cc(Br)c21 Homo sapiens CHEMBL3377640 single protein format
CHEMBL1762363 OBDepict F N N N N O O S N O O H O N IC50 = 3.8 nM 514.54 O=C1C(=O)N(Cc2cn(CCF)nn2)c2ccc(S(=O)(=O)N3CCC[C@H]3COc3cccnc3)cc21 Homo sapiens CHEMBL1764810 single protein format
CHEMBL217777 OBDepict CH 3 O H N S O O N O O O H 3 C IC50 = 4.0 nM 444.51 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(OC)cc1 Homo sapiens CHEMBL909399 single protein format
CHEMBL360956 OBDepict H 3 C N HN O O N N H H O S O OH O N N CH 3 IC50 = 4.68 nM 528.59 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCc2nc(C)no2)c1=O Homo sapiens CHEMBL829510 assay format
CHEMBL466422 OBDepict CH 3 O H N S O O N O O O HO F IC50 = 5.0 nM 506.55 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(OCC(O)CF)cc1 Homo sapiens CHEMBL1006645 single protein format
CHEMBL362191 OBDepict H 3 C N HN O O N N H H O S O OH N O IC50 = 5.17 nM 513.58 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCc2ccon2)c1=O Homo sapiens CHEMBL829510 assay format
CHEMBL3133258 OBDepict F H N S O O N O O I IC50 = 5.4 nM 528.34 O=C1C(=O)N(Cc2ccc(I)cc2)c2ccc(S(=O)(=O)N3CCC[C@H]3CF)cc21 Homo sapiens CHEMBL3134675 assay format
CHEMBL3359196 OBDepict F N O Br O S N O O H O CH 3 IC50 = 5.95 nM 477.35 COC[C@@H]1CCCN1S(=O)(=O)c1cc(Br)c2c(c1)C(=O)C(=O)N2CCCCF Homo sapiens CHEMBL3377640 single protein format
CHEMBL1762362 OBDepict F N N N N O O S N O O H O N IC50 = 6.1 nM 500.51 O=C1C(=O)N(Cc2cn(CCF)nn2)c2ccc(S(=O)(=O)N3CC[C@H]3COc3cccnc3)cc21 Homo sapiens CHEMBL1764810 single protein format
CHEMBL227036 OBDepict Br N O O S N O O H O N IC50 = 6.6 nM 556.44 O=C1C(=O)N(Cc2ccc(Br)cc2)c2ccc(S(=O)(=O)N3CCC[C@H]3COc3cccnc3)cc21 Homo sapiens CHEMBL890416 single protein format
CHEMBL494141 OBDepict CH 3 O H N S O O N O O F CH 3 IC50 = 6.8 nM 398.46 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2CCC(C)F Homo sapiens CHEMBL1012731 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 CHEMBL876968 single protein format
CHEMBL513663 OBDepict H 3 C O H N S O O N O O CH 2 IC50 = 7.2 nM 440.52 C=Cc1ccc(CN2C(=O)C(=O)c3cc(S(=O)(=O)N4CCC[C@H]4COC)ccc32)cc1 Homo sapiens CHEMBL1006645 single protein format
CHEMBL2348860 OBDepict H 3 C N O O S N O O H O F F F IC50 = 7.47 nM 448.46 CCCCN1C(=O)C(=O)c2cc(S(=O)(=O)N3CCC[C@H]3COCC(F)(F)F)ccc21 Homo sapiens CHEMBL2352545 single protein format
CHEMBL492385 OBDepict CH 3 O H N S O O N O O F HO IC50 = 7.6 nM 476.53 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(C(F)CO)cc1 Homo sapiens CHEMBL1006645 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 = 8.0 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 CHEMBL903360 single protein format
CHEMBL521840 OBDepict CH 3 N O O S N O O H O CH 3 IC50 = 8.1 nM 380.47 CCCCN1C(=O)C(=O)c2cc(S(=O)(=O)N3CCC[C@H]3COC)ccc21 Homo sapiens CHEMBL1012731 single protein format
CHEMBL513297 OBDepict H 3 C O H N S O O N O O H O IC50 = 9.0 nM 380.42 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2C[C@H]1CO1 Homo sapiens CHEMBL1006645 single protein format
CHEMBL3233629 OBDepict O N N H S O N O IC50 = 9.424 nM 355.42 O=C(Nc1cccc(N2CCOCC2)c1)n1sc2ccccc2c1=O Homo sapiens CHEMBL3243715 single protein format
CHEMBL3133259 OBDepict CH 3 O N O O S N O O H F IC50 = 9.6 nM 432.47 COc1ccc(CN2C(=O)C(=O)c3cc(S(=O)(=O)N4CCC[C@H]4CF)ccc32)cc1 Homo sapiens CHEMBL3134675 assay format
CHEMBL2348702 OBDepict F N O O S N O O H O F IC50 = 9.68 nM 430.47 O=C1C(=O)N(CCCCF)c2ccc(S(=O)(=O)N3CCC[C@H]3COCCF)cc21 Homo sapiens CHEMBL2352545 single protein format
CHEMBL3359202 OBDepict CH 3 N O F O S N O O H O CH 3 IC50 = 9.7 nM 398.46 CCCCN1C(=O)C(=O)c2cc(S(=O)(=O)N3CCC[C@H]3COC)cc(F)c21 Homo sapiens CHEMBL3377640 single protein format
CHEMBL181948 OBDepict CH 3 N N H O O N HN H O S O OH N N N IC50 = 9.71 nM 527.61 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCCn2cncn2)c1=O Homo sapiens CHEMBL829510 assay format
CHEMBL359643 OBDepict CH 3 O NH N O N N H O CH 3 H O S O OH IC50 = 9.73 nM 504.61 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCCCOC)c1=O Homo sapiens CHEMBL829510 assay 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 = 10.0 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 CHEMBL657315 single protein format
CHEMBL185356 OBDepict F O HN O O HO HN H H 3 C H 3 C O O Cl Cl IC50 = 10.0 nM 451.28 CC(C)[C@H](NC(=O)OCc1ccc(Cl)cc1Cl)C(=O)NC(CC(=O)O)C(=O)CF Homo sapiens CHEMBL827795 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 = 10.0 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 CHEMBL657315 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 = 10.0 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 CHEMBL657313 single protein format
CHEMBL1762350 OBDepict H 3 C O N O O S N O O H O N IC50 = 10.2 nM 493.54 COc1ccc(CN2C(=O)C(=O)c3cc(S(=O)(=O)N4CC[C@H]4COc4cccnc4)ccc32)cc1 Homo sapiens CHEMBL1764810 single protein format
CHEMBL237310 OBDepict F O N H O OH O NH O HN H CH 3 H 3 C O O IC50 = 11.0 nM 487.48 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1C(=O)NC(C(=O)O)C(=O)CF Homo sapiens CHEMBL899134 single protein format
CHEMBL521822 OBDepict CH 3 O H N S O O N O O F F F IC50 = 11.0 nM 482.48 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(C(F)(F)F)cc1 Homo sapiens CHEMBL1012731 single protein format
CHEMBL180263 OBDepict F O N H O O OH O H CH 3 H 3 C N H O IC50 = 11.0 nM 368.36 CC(C)[C@H](OC(=O)Nc1ccccc1)C(=O)NC(CC(=O)O)C(=O)CF Homo sapiens CHEMBL827038 single protein format
CHEMBL522148 OBDepict OH N O O S N O O H O CH 3 IC50 = 11.0 nM 396.47 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2CCCCO Homo sapiens CHEMBL1012731 single protein format
CHEMBL3133148 OBDepict F H N S O O N O O + N O _ O IC50 = 11.2 nM 447.44 O=C1C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccc(S(=O)(=O)N3CCC[C@H]3CF)cc21 Homo sapiens CHEMBL3134675 assay format
CHEMBL1762353 OBDepict F O N O O S N O O H O N IC50 = 11.3 nM 539.59 O=C1C(=O)N(Cc2ccc(OCCF)cc2)c2ccc(S(=O)(=O)N3CCC[C@H]3COc3cccnc3)cc21 Homo sapiens CHEMBL1764810 single protein format
CHEMBL456799 OBDepict F N N N N O O S N O O H O F F IC50 = 11.6 nM 549.53 O=C1C(=O)N(Cc2cn(CCF)nn2)c2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccc(F)cc3F)cc21 Homo sapiens CHEMBL1764810 single protein format
CHEMBL227035 OBDepict OH N O O S N O O H O N IC50 = 11.7 nM 493.54 O=C1C(=O)N(Cc2ccc(O)cc2)c2ccc(S(=O)(=O)N3CCC[C@H]3COc3cccnc3)cc21 Homo sapiens CHEMBL890416 single protein format
CHEMBL1762351 OBDepict F O O N O O S N O O H O IC50 = 11.9 nM 582.65 O=C1C(=O)N(Cc2ccc(OCCOCCF)cc2)c2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)cc21 Homo sapiens CHEMBL1764810 single protein format
CHEMBL2348693 OBDepict CH 3 O H N S O O N O O F IC50 = 12.3 nM 412.48 COCC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2CCCCF Homo sapiens CHEMBL2352545 single protein format
CHEMBL1762365 OBDepict F O N O O S N O O H O F F IC50 = 12.3 nM 574.58 O=C1C(=O)N(Cc2ccc(OCCF)cc2)c2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccc(F)cc3F)cc21 Homo sapiens CHEMBL1764810 single protein format
CHEMBL456798 OBDepict F N N N N O O S N O O H O IC50 = 12.4 nM 513.55 O=C1C(=O)N(Cc2cn(CCF)nn2)c2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)cc21 Homo sapiens CHEMBL1764810 single protein format
CHEMBL2348697 OBDepict CH 3 O H N S O O HN O O IC50 = 13.2 nM 338.39 CCOC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2 Homo sapiens CHEMBL2352545 single protein format
CHEMBL3133255 OBDepict F H N S O O N O O F IC50 = 14.0 nM 420.44 O=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(S(=O)(=O)N3CCC[C@H]3CF)cc21 Homo sapiens CHEMBL3134675 assay format
CHEMBL197549 OBDepict O O N S N O O H O N IC50 = 14.1 nM 477.54 O=C1C(=O)N(Cc2ccccc2)c2ccc(S(=O)(=O)N3CCC[C@H]3COc3cccnc3)cc21 Homo sapiens CHEMBL864534 single protein format
CHEMBL3133254 OBDepict F H N S O O N O O Cl IC50 = 14.2 nM 436.89 O=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccc(S(=O)(=O)N3CCC[C@H]3CF)cc21 Homo sapiens CHEMBL3134675 assay format
CHEMBL200653 OBDepict F N N O O S N O O H O IC50 = 14.5 nM 495.53 O=C1C(=O)N(Cc2ccc(F)nc2)c2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)cc21 Homo sapiens CHEMBL864534 single protein format
CHEMBL198682 OBDepict F N O O S N O O H O N IC50 = 15.1 nM 495.53 O=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(S(=O)(=O)N3CCC[C@H]3COc3cccnc3)cc21 Homo sapiens CHEMBL864534 single protein format
CHEMBL372322 OBDepict CH 3 O N O O S N O O H O N IC50 = 15.1 nM 507.57 COc1ccc(CN2C(=O)C(=O)c3cc(S(=O)(=O)N4CCC[C@H]4COc4cccnc4)ccc32)cc1 Homo sapiens CHEMBL864534 single protein format
CHEMBL1762366 OBDepict F N N N N O O S N O O H O F F IC50 = 15.3 nM 535.5 O=C1C(=O)N(Cc2cn(CCF)nn2)c2ccc(S(=O)(=O)N3CC[C@H]3COc3ccc(F)cc3F)cc21 Homo sapiens CHEMBL1764810 single protein format
CHEMBL1762364 OBDepict F O N O O S N O O H O F F IC50 = 15.4 nM 560.55 O=C1C(=O)N(Cc2ccc(OCCF)cc2)c2ccc(S(=O)(=O)N3CC[C@H]3COc3ccc(F)cc3F)cc21 Homo sapiens CHEMBL1764810 single protein format
CHEMBL3133253 OBDepict F H N S O O N O O Br IC50 = 15.9 nM 481.34 O=C1C(=O)N(Cc2ccc(Br)cc2)c2ccc(S(=O)(=O)N3CCC[C@H]3CF)cc21 Homo sapiens CHEMBL3134675 assay format
CHEMBL467251 OBDepict CH 3 O H N S O O N O O F Br IC50 = 16.0 nM 539.42 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(C(F)CBr)cc1 Homo sapiens CHEMBL1006645 single protein format
CHEMBL3133147 OBDepict F H N S O O N O O + N O _ O IC50 = 16.5 nM 447.44 O=C1C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccc(S(=O)(=O)N3CCC[C@H]3CF)cc21 Homo sapiens CHEMBL3134675 assay format
CHEMBL370012 OBDepict F N N O O S N O O H O IC50 = 17.0 nM 481.51 O=C1C(=O)N(Cc2ccc(F)nc2)c2ccc(S(=O)(=O)N3CC[C@H]3COc3ccccc3)cc21 Homo sapiens CHEMBL864534 single protein format
CHEMBL1762349 OBDepict F O N O O S N O O H O N IC50 = 17.6 nM 525.56 O=C1C(=O)N(Cc2ccc(OCCF)cc2)c2ccc(S(=O)(=O)N3CC[C@H]3COc3cccnc3)cc21 Homo sapiens CHEMBL1764810 single protein format
CHEMBL1762361 OBDepict F N N N N O O S N O O H O IC50 = 18.0 nM 499.52 O=C1C(=O)N(Cc2cn(CCF)nn2)c2ccc(S(=O)(=O)N3CC[C@H]3COc3ccccc3)cc21 Homo sapiens CHEMBL1764810 single protein format
CHEMBL3133146 OBDepict F H N S O O N O O + N O _ O IC50 = 19.8 nM 447.44 O=C1C(=O)N(Cc2ccccc2[N+](=O)[O-])c2ccc(S(=O)(=O)N3CCC[C@H]3CF)cc21 Homo sapiens CHEMBL3134675 assay format
CHEMBL3359195 OBDepict F N O Br O S N O O H O CH 3 IC50 = 20.1 nM 463.33 COC[C@@H]1CCCN1S(=O)(=O)c1cc(Br)c2c(c1)C(=O)C(=O)N2CCCF Homo sapiens CHEMBL3377640 single protein format
CHEMBL3359184 OBDepict H 3 C O H N S O O I N O O H 3 C IC50 = 20.1 nM 478.31 CCN1C(=O)C(=O)c2cc(S(=O)(=O)N3CCC[C@H]3COC)cc(I)c21 Homo sapiens CHEMBL3377640 single protein format
CHEMBL3133252 OBDepict F H N S O O N O O IC50 = 20.4 nM 402.45 O=C1C(=O)N(Cc2ccccc2)c2ccc(S(=O)(=O)N3CCC[C@H]3CF)cc21 Homo sapiens CHEMBL3134675 assay format
CHEMBL200886 OBDepict F N O O S N O O H O IC50 = 21.0 nM 480.52 O=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(S(=O)(=O)N3CC[C@H]3COc3ccccc3)cc21 Homo sapiens CHEMBL864534 single protein format