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O00763 | ACACB_HUMAN | Acetyl-CoA carboxylase 2 (ACACB)

3D structures mapped by conservation among orthologs

[ Domain: "PreATP-grasp domain" // Biotin_carb_N ]

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[ Domain: "ATP-grasp" // ATP-grasp ]

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[ Domain: "ClpP/crotonase" // Carboxyl_trans_C ]

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[ Domain: "CO dehydrogenase molybdoprotein N-domain-like" // Biotin_carb_C ]

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[ Domain: "Single hybrid motif" // Biotin_lipoyl ]

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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

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL1089882 OBDepict CH 3 N N N O O N O N N H N N CH 3 IC50 = 0.21 nM 522.57 Cn1cc(-c2cc3c(cn2)OC2(CCN(C(=O)c4ccc5[nH]c(-c6ccn(C)n6)nc5c4)CC2)CC3=O)cn1 Homo sapiens CHEMBL1115284 cell-based format
CHEMBL1089883 OBDepict CH 3 N N N O O N O H 3 C N N H IC50 = 0.3 nM 456.51 Cc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(-c4cnn(C)c4)ncc2O3)cc2cn[nH]c12 Homo sapiens CHEMBL1115284 cell-based format
CHEMBL1091996 OBDepict CH 3 O N O O N O CH 3 N N H IC50 = 0.31 nM 406.44 COc1cc2c(cn1)OC1(CCN(C(=O)c3cc(C)c4[nH]ncc4c3)CC1)CC2=O Homo sapiens CHEMBL1115284 cell-based format
CHEMBL3699916 OBDepict O N N N H NH O N N CH 3 H 3 C CH 3 IC50 = 1.0 nM 486.62 CC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3ccc4ccc(NC5CCC5)nc4c3)CC1)C2 Homo sapiens CHEMBL3706246 cell-based format
CHEMBL2323626 OBDepict CH 3 N H N N O O N N H 3 C CH 3 H 3 C IC50 = 1.3 nM 445.57 CNc1ccc2ccc(C(=O)N3CCC4(CC3)CC(=O)c3nn(C(C)(C)C)cc3C4)cc2n1 Homo sapiens CHEMBL2329345 single protein format
CHEMBL3407547 OBDepict H 3 C O O H N O N S O O H 3 C H 3 C O HO CH 3 N O IC50 = 1.7 nM 569.64 COc1ccccc1[C@H](Cn1c(=O)n(C(C)(C)C(=O)O)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCOCC1 Homo sapiens CHEMBL3412274 single protein format
CHEMBL3699930 OBDepict O N N NH N H O N N F F CH 3 H 3 C CH 3 H 3 C IC50 = 1.7 nM 510.59 CC(F)(F)CNc1ccc2ccc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc2n1 Homo sapiens CHEMBL3706246 cell-based format
CHEMBL2419600 OBDepict CH 3 NH N N O N H O N N CH 3 CH 3 H 3 C IC50 = 1.7 nM 474.61 CCCNc1ccc2ccc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc2n1 Homo sapiens CHEMBL2422747 single protein format
CHEMBL3699929 OBDepict O N N HN N H O N N F F F CH 3 CH 3 CH 3 IC50 = 1.72 nM 514.55 CC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3ccc4ccc(NCC(F)(F)F)nc4c3)CC1)C2 Homo sapiens CHEMBL3706246 cell-based format
CHEMBL3699918 OBDepict CH 3 NH N N O N H O N N CH 3 CH 3 H 3 C IC50 = 1.8 nM 460.58 CCNc1ccc2ccc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc2n1 Homo sapiens CHEMBL3706246 cell-based format
CHEMBL4225405 OBDepict H 3 C O N S Cl O N HN CH 3 H O H 3 C IC50 = 1.9 nM 417.92 CCOc1nc2ccc(Oc3ccc(/C=C/[C@H](C)NC(C)=O)cn3)c(Cl)c2s1 Homo sapiens CHEMBL4224643 single protein format
CHEMBL3699881 OBDepict H 3 C O N CH 3 H N O NH O N N H 3 C CH 3 H 3 C IC50 = 1.9 nM 449.56 COc1ccc(C)c2[nH]c(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc12 Homo sapiens CHEMBL3706246 cell-based format
CHEMBL4229067 OBDepict H 3 C HN O CH 3 H N O F S N H 3 C H 3 C IC50 = 2.1 nM 399.49 CC(=O)N[C@@H](C)/C=C/c1ccc(Oc2ccc3nc(C(C)C)sc3c2F)nc1 Homo sapiens CHEMBL4224643 single protein format
CHEMBL3699871 OBDepict CH 3 N H N N O CH 3 N H O N N CH 3 CH 3 H 3 C IC50 = 2.1 nM 436.56 CC1=CC(C(=O)N2CCC3(CC2)Cc2cn(C(C)(C)C)nc2C(=O)N3)=CC2C(C)=NNC12 Homo sapiens CHEMBL3706246 cell-based format
CHEMBL2323628 OBDepict CH 3 O N N O O N N H 3 C CH 3 IC50 = 2.1 nM 432.52 COc1ccc2ncc(C(=O)N3CCC4(CC3)CC(=O)c3c(cnn3C(C)C)C4)cc2c1 Homo sapiens CHEMBL2329345 single protein format
CHEMBL3699903 OBDepict CH 3 O N H N N O CH 3 N H O N N CH 3 CH 3 H 3 C IC50 = 2.1 nM 450.54 COc1cc(C(=O)N2CCC3(CC2)Cc2cn(C(C)(C)C)nc2C(=O)N3)cc2c(C)n[nH]c12 Homo sapiens CHEMBL3706246 cell-based format
CHEMBL3699886 OBDepict O N CH 3 N Cl N HN H O N N CH 3 CH 3 CH 3 IC50 = 2.1 nM 454.96 Cc1cc(C(=O)N2CCC3(CC2)Cc2cn(C(C)(C)C)nc2C(=O)N3)cc2c(Cl)n[nH]c12 Homo sapiens CHEMBL3706246 cell-based format
CHEMBL3699914 OBDepict CH 3 NH H 3 C N N O N H O N N CH 3 CH 3 H 3 C IC50 = 2.2 nM 474.61 CC(C)Nc1ccc2ccc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc2n1 Homo sapiens CHEMBL3706246 cell-based format
CHEMBL2419589 OBDepict O N N NH N CH 3 CH 3 O N N H 3 C CH 3 H 3 C IC50 = 2.3 nM 460.58 CN(C)c1ccc2ccc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc2n1 Homo sapiens CHEMBL2422747 single protein format
CHEMBL3699893 OBDepict CH 3 O N O N H O N N CH 3 CH 3 H 3 C IC50 = 2.4 nM 446.55 COc1cccc2ccc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc12 Homo sapiens CHEMBL3706246 cell-based format
CHEMBL3699915 OBDepict CH 3 N CH 3 N N O N H O N N CH 3 CH 3 H 3 C IC50 = 2.4 nM 474.61 CCN(C)c1ccc2ccc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc2n1 Homo sapiens CHEMBL3706246 cell-based format
CHEMBL3699889 OBDepict CH 3 O N N N O H N H O N N CH 3 CH 3 H 3 C IC50 = 2.4 nM 436.52 COc1cc(C(=O)N2CCC3(CC2)Cc2cn(C(C)(C)C)nc2C(=O)N3)cc2[nH]ncc12 Homo sapiens CHEMBL3706246 cell-based format
CHEMBL3699925 OBDepict CH 3 HN N N O N H O N N CH 3 CH 3 H 3 C IC50 = 2.5 nM 474.61 CCCNc1nccc2ccc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc12 Homo sapiens CHEMBL3706246 cell-based format
CHEMBL3699913 OBDepict O N N N H NH O N N CH 3 H 3 C CH 3 IC50 = 2.6 nM 472.59 CC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3ccc4ccc(NC5CC5)nc4c3)CC1)C2 Homo sapiens CHEMBL3706246 cell-based format
CHEMBL3699927 OBDepict CH 3 HN N N O N H O N N CH 3 CH 3 H 3 C IC50 = 2.7 nM 460.58 CCNc1nccc2ccc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc12 Homo sapiens CHEMBL3706246 cell-based format
CHEMBL3699873 OBDepict CH 3 N H N N O CH 3 N H O N N HO H 3 C CH 3 IC50 = 2.7 nM 452.56 CC1=CC(C(=O)N2CCC3(CC2)Cc2cn(CC(C)(C)O)nc2C(=O)N3)=CC2C(C)=NNC12 Homo sapiens CHEMBL3706246 cell-based format
CHEMBL3699924 OBDepict O N N N H HN O N N CH 3 H 3 C CH 3 IC50 = 2.7 nM 486.62 CC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3ccc4ccnc(NC5CCC5)c4c3)CC1)C2 Homo sapiens CHEMBL3706246 cell-based format
CHEMBL3699921 OBDepict O N N HN N H O N N CH 3 CH 3 H 3 C IC50 = 2.9 nM 472.59 CC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3ccc4ccnc(NC5CC5)c4c3)CC1)C2 Homo sapiens CHEMBL3706246 cell-based format
CHEMBL2323629 OBDepict O N N H O H 2 N O N N H 3 C CH 3 IC50 = 2.9 nM 433.51 CC(C)n1ncc2c1C(=O)CC1(CCN(C(=O)c3ccc4[nH]c(C(N)=O)cc4c3)CC1)C2 Homo sapiens CHEMBL2329345 single protein format
CHEMBL221169 OBDepict H 3 C NH O CH 3 H O N S N O O CH 3 H 3 C IC50 = 3.0 nM 387.46 CC(=O)N[C@@H](C)c1cc(-c2cnc(Oc3ccc(OC(C)C)cc3)s2)no1 Homo sapiens CHEMBL916200 cell-based format
CHEMBL4557289 OBDepict CH 3 O H 3 C N N O O O N O OH IC50 = 3.0 nM 565.63 COc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(-c4cncc(C(=O)O)c4)ccc2O3)cc2c1c(C)cn2C1CC1 Homo sapiens CHEMBL4344284 single protein format
CHEMBL2419593 OBDepict O N N H HN Cl O N N CH 3 CH 3 CH 3 IC50 = 3.0 nM 439.95 CC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3ccc4c(Cl)c[nH]c4c3)CC1)C2 Homo sapiens CHEMBL2422747 single protein format
CHEMBL3699896 OBDepict CH 3 O N N O N H O N N CH 3 CH 3 H 3 C IC50 = 3.2 nM 447.54 COc1cccc2ncc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc12 Homo sapiens CHEMBL3706246 cell-based format
CHEMBL3699917 OBDepict CH 3 O NH N N O N H O N N CH 3 CH 3 H 3 C IC50 = 3.3 nM 490.61 COCCNc1ccc2ccc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc2n1 Homo sapiens CHEMBL3706246 cell-based format
CHEMBL3699875 OBDepict CH 3 O N O N H O N N CH 3 CH 3 H 3 C IC50 = 3.8 nM 446.55 COc1ccc2ccc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc2c1 Homo sapiens CHEMBL3706246 cell-based format
CHEMBL223100 OBDepict CH 3 O O N S N H H 3 C O CH 3 IC50 = 4.0 nM 344.44 CCCOc1ccc(Oc2ncc(C#CC(C)NC(C)=O)s2)cc1 Homo sapiens CHEMBL855117 single protein format
CHEMBL2419596 OBDepict CH 3 O N N O N H O N N CH 3 CH 3 H 3 C IC50 = 4.0 nM 447.54 COc1ccc2ccc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc2n1 Homo sapiens CHEMBL2422747 single protein format
CHEMBL2419597 OBDepict CH 3 O N N O N H O N N CH 3 CH 3 H 3 C IC50 = 4.2 nM 447.54 COc1nccc2ccc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc12 Homo sapiens CHEMBL2422747 single protein format
CHEMBL2419598 OBDepict CH 3 NH N N O N H O N N CH 3 CH 3 H 3 C IC50 = 4.2 nM 446.56 CNc1ccc2ccc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc2n1 Homo sapiens CHEMBL2422747 single protein format
CHEMBL4225659 OBDepict H 3 C HN O CH 3 H N O Cl S N H 3 C H 3 C IC50 = 4.3 nM 415.95 CC(=O)N[C@@H](C)/C=C/c1ccc(Oc2ccc3nc(C(C)C)sc3c2Cl)nc1 Homo sapiens CHEMBL4224643 single protein format
CHEMBL2030573 OBDepict H 3 C N H N H O S N N O CH 3 N O O H 3 C H 3 C IC50 = 4.4 nM 513.66 CNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC(N2CCC[C@@]3(C2)CC(C)(C)OC3=O)CC1 Homo sapiens CHEMBL2032633 single protein format
CHEMBL3699877 OBDepict H 3 C O N N O O CH 3 N H O N N CH 3 CH 3 H 3 C IC50 = 4.4 nM 477.57 COc1cc(C(=O)N2CCC3(CC2)Cc2cn(C(C)(C)C)nc2C(=O)N3)nc2c(OC)cccc12 Homo sapiens CHEMBL3706246 cell-based format
CHEMBL1089181 OBDepict H 3 C O CH 3 N O O N O CH 3 N N H IC50 = 4.5 nM 434.5 Cc1cc(C(=O)N2CCC3(CC2)CC(=O)c2c(ccnc2OC(C)C)O3)cc2cn[nH]c12 Homo sapiens CHEMBL1115284 cell-based format
CHEMBL2419607 OBDepict H 3 C N CH 3 H 3 C N O NH N O CH 3 N H 3 C N H IC50 = 4.5 nM 448.57 CCC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3cc(C)c4[nH]nc(C)c4c3)CC1)C2 Homo sapiens CHEMBL2422747 single protein format
CHEMBL1090854 OBDepict H N N O O N O H 3 C N N H IC50 = 4.5 nM 441.49 Cc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(-c4cc[nH]n4)ccc2O3)cc2cn[nH]c12 Homo sapiens CHEMBL1115284 cell-based format
CHEMBL3699922 OBDepict H 3 C NH CH 3 N N O N H O N N CH 3 H 3 C CH 3 IC50 = 4.7 nM 474.61 CC(C)Nc1nccc2ccc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc12 Homo sapiens CHEMBL3706246 cell-based format
CHEMBL2059303 OBDepict CH 3 HN N H O S N O O CH 3 N O N O N IC50 = 4.9 nM 582.73 CCNC(=O)Nc1sc2c(OC)cccc2c1C(=O)N1CCC(N2CCCC3(C2)C(=O)N2CCCCN2C3=O)CC1 Homo sapiens CHEMBL2060085 single protein format
CHEMBL220563 OBDepict H 3 C NH O CH 3 S N O O IC50 = 5.0 nM 384.5 CC(=O)NC(C)C#Cc1cnc(Oc2ccc(OCC3CCCC3)cc2)s1 Homo sapiens CHEMBL855117 single protein format
CHEMBL2419594 OBDepict O N N N H HN Cl O N N CH 3 CH 3 CH 3 IC50 = 5.0 nM 440.94 CC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3cnc4c(Cl)c[nH]c4c3)CC1)C2 Homo sapiens CHEMBL2422747 single protein format
CHEMBL3699880 OBDepict O N N N HN H O H 2 N O N N CH 3 CH 3 CH 3 IC50 = 5.1 nM 449.52 CC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3ccc4[nH]nc(C(N)=O)c4c3)CC1)C2 Homo sapiens CHEMBL3706246 cell-based format
CHEMBL2059099 OBDepict CH 3 HN N H O S N O N O N O N IC50 = 5.1 nM 580.76 CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(N2CCCC3(C2)C(=O)N2CCCCCCN2C3=O)CC1 Homo sapiens CHEMBL2060085 single protein format
CHEMBL3699901 OBDepict H 3 C O N N H N O NH O N N H 3 C CH 3 H 3 C IC50 = 5.3 nM 436.52 COc1n[nH]c2ccc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc12 Homo sapiens CHEMBL3706246 cell-based format
CHEMBL3699872 OBDepict CH 3 O N O N H O N N CH 3 CH 3 H 3 C IC50 = 5.3 nM 446.55 COc1ccc2cc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)ccc2c1 Homo sapiens CHEMBL3706246 cell-based format
CHEMBL3110092 OBDepict CH 3 O H 3 C N N H H 3 C N N O N H H 3 C H O H 3 C IC50 = 5.4 nM 387.48 CCOc1ccc(N2CCN(c3noc([C@H](C)NC(C)=O)n3)[C@@H](C)C2)c(C)c1 Homo sapiens CHEMBL3111438 cell-based format
CHEMBL1910404 OBDepict CH 3 HN N H O S N O N O O H 3 C H 3 C IC50 = 5.4 nM 512.68 CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(N2CCC[C@@]3(C2)CC(C)(C)OC3=O)CC1 Homo sapiens CHEMBL1912973 single protein format
CHEMBL3699895 OBDepict H 3 C NH N N O N H O N N CH 3 CH 3 H 3 C IC50 = 5.5 nM 446.56 CNc1cc2cc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)ccc2cn1 Homo sapiens CHEMBL3706246 cell-based format
CHEMBL3699825 OBDepict CH 3 O N H N N O N H O N N CH 3 CH 3 H 3 C IC50 = 5.6 nM 436.52 COc1cc(C(=O)N2CCC3(CC2)Cc2cn(C(C)(C)C)nc2C(=O)N3)cc2cn[nH]c12 Homo sapiens CHEMBL3706246 cell-based format
CHEMBL4753907 OBDepict CH 3 N CH 3 N N O O HO O N N CH 3 H 3 C IC50 = 5.6 nM 515.61 CC(C)n1ncc2c1C(=O)CC1(CCN(C(=O)c3cc(-c4ccc(C(=O)O)cc4)nc(N(C)C)c3)CC1)C2 Homo sapiens CHEMBL4669980 single protein format
CHEMBL2059301 OBDepict CH 3 O S N H N O O H 2 N N O N O N IC50 = 5.9 nM 554.67 COc1cccc2c(C(=O)N3CCC(N4CCCC5(C4)C(=O)N4CCCCN4C5=O)CC3)c(NC(N)=O)sc12 Homo sapiens CHEMBL2060085 single protein format
CHEMBL3699894 OBDepict NH 2 N N O HN O N N CH 3 CH 3 CH 3 IC50 = 5.9 nM 432.53 CC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3ccc4ccc(N)nc4c3)CC1)C2 Homo sapiens CHEMBL3706246 cell-based format
CHEMBL2419599 OBDepict CH 3 HN N N O N H O N N CH 3 CH 3 H 3 C IC50 = 6.0 nM 446.56 CNc1nccc2ccc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc12 Homo sapiens CHEMBL2422747 single protein format
CHEMBL2419604 OBDepict O N CH 3 N CH 3 N NH H O N N H 3 C CH 3 H 3 C IC50 = 6.0 nM 434.54 Cc1n[nH]c2c(C)cc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc12 Homo sapiens CHEMBL2422747 single protein format
CHEMBL212460 OBDepict H 3 C NH O CH 3 O O CH 3 H 3 C IC50 = 6.0 nM 337.42 CC(=O)NC(C)C#Cc1ccc(Oc2ccc(OC(C)C)cc2)cc1 Homo sapiens CHEMBL867453 cell-based format
CHEMBL2059302 OBDepict H 3 C HN N H O S N O O CH 3 N O N O N IC50 = 6.1 nM 568.7 CNC(=O)Nc1sc2c(OC)cccc2c1C(=O)N1CCC(N2CCCC3(C2)C(=O)N2CCCCN2C3=O)CC1 Homo sapiens CHEMBL2060085 single protein format
CHEMBL3699926 OBDepict CH 3 O HN N N O N H O N N CH 3 CH 3 H 3 C IC50 = 6.1 nM 490.61 COCCNc1nccc2ccc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc12 Homo sapiens CHEMBL3706246 cell-based format
CHEMBL1088893 OBDepict CH 3 N N O O N O H 3 C N N H IC50 = 6.1 nM 455.52 Cc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(-c4ccn(C)n4)ccc2O3)cc2cn[nH]c12 Homo sapiens CHEMBL1115284 cell-based format
CHEMBL3699830 OBDepict O N N HN NH CH 3 CH 3 CH 3 O N N H 3 C CH 3 H 3 C IC50 = 6.3 nM 488.64 CC(C)(C)Nc1nccc2ccc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc12 Homo sapiens CHEMBL3706246 cell-based format
CHEMBL1089877 OBDepict O N CH 3 N N O H O CH 3 N H 3 C O IC50 = 6.4 nM 470.53 Cc1noc(C)c1-c1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3cc(C)c4[nH]ncc4c3)CC1)O2 Homo sapiens CHEMBL1115284 cell-based format
CHEMBL1091589 OBDepict CH 3 O O O N O CH 3 N N H IC50 = 6.5 nM 405.45 COc1cccc2c1C(=O)CC1(CCN(C(=O)c3cc(C)c4[nH]ncc4c3)CC1)O2 Homo sapiens CHEMBL1115284 cell-based format
CHEMBL1958374 OBDepict O N CH 3 N N H O H 3 C O N N CH 3 CH 3 H 3 C IC50 = 6.6 nM 435.53 Cc1nc2c(C)cc(C(=O)N3CCC4(CC3)CC(=O)c3nn(C(C)(C)C)cc3O4)cc2[nH]1 Homo sapiens CHEMBL1959087 cell-based format
CHEMBL2419591 OBDepict O N N Cl N HN H O N N CH 3 CH 3 CH 3 IC50 = 6.7 nM 440.94 CC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3ccc4[nH]nc(Cl)c4c3)CC1)C2 Homo sapiens CHEMBL2422747 single protein format
CHEMBL2419592 OBDepict O N N Cl HN H O N N CH 3 CH 3 CH 3 IC50 = 6.8 nM 439.95 CC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3ccc4[nH]cc(Cl)c4c3)CC1)C2 Homo sapiens CHEMBL2422747 single protein format
CHEMBL4224858 OBDepict CH 3 NH O H 3 C H N O Cl O IC50 = 6.9 nM 386.88 CC(=O)N[C@@H](C)/C=C/c1ccc(Oc2ccc(OCC3CC3)cc2Cl)nc1 Homo sapiens CHEMBL4224643 single protein format
CHEMBL1958360 OBDepict O N CH 3 N N O H O N N CH 3 CH 3 H 3 C IC50 = 6.9 nM 421.5 Cc1cc(C(=O)N2CCC3(CC2)CC(=O)c2nn(C(C)(C)C)cc2O3)cc2cn[nH]c12 Homo sapiens CHEMBL1959087 cell-based format
CHEMBL567281 OBDepict H 3 C NH O CH 3 O O IC50 = 7.0 nM 423.51 CC(=O)NC(C)c1ccc(-c2ccc(Oc3ccc(Oc4ccccc4)cc3)cc2)cc1 Homo sapiens CHEMBL1048879 assay format
CHEMBL376717 OBDepict CH 3 N H O H 3 C S N O O IC50 = 7.0 nM 356.45 CC(=O)NC(C)C#Cc1cnc(Oc2ccc(OCC3CC3)cc2)s1 Homo sapiens CHEMBL916200 cell-based format
CHEMBL3699911 OBDepict O N N N Cl HN H O N N CH 3 CH 3 CH 3 IC50 = 7.1 nM 440.94 CC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3cnc4[nH]cc(Cl)c4c3)CC1)C2 Homo sapiens CHEMBL3706246 cell-based format
CHEMBL1958373 OBDepict O N CH 3 N N H O O N N CH 3 CH 3 H 3 C IC50 = 7.4 nM 421.5 Cc1cc(C(=O)N2CCC3(CC2)CC(=O)c2nn(C(C)(C)C)cc2O3)cc2[nH]cnc12 Homo sapiens CHEMBL1959087 cell-based format
CHEMBL2059098 OBDepict CH 3 HN N H O S N O N O N O N IC50 = 7.5 nM 566.73 CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(N2CCCC3(C2)C(=O)N2CCCCCN2C3=O)CC1 Homo sapiens CHEMBL2060085 single protein format
CHEMBL3699876 OBDepict CH 3 O N O N H O N N CH 3 CH 3 H 3 C IC50 = 7.5 nM 446.55 COc1cccc2cc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)ccc12 Homo sapiens CHEMBL3706246 cell-based format
CHEMBL1088894 OBDepict O O N N N O H CH 3 H 3 C N N H IC50 = 7.6 nM 455.52 Cc1cc(-c2ccc3c(c2)C(=O)CC2(CCN(C(=O)c4cc(C)c5[nH]ncc5c4)CC2)O3)n[nH]1 Homo sapiens CHEMBL1115284 cell-based format
CHEMBL566024 OBDepict CH 3 O O N N H H 3 C H O CH 3 IC50 = 8.0 nM 390.48 CCCOc1ccc(Oc2ccc(-c3ccc([C@H](C)NC(C)=O)cc3)cn2)cc1 Homo sapiens CHEMBL1048879 assay format
CHEMBL220271 OBDepict H 3 C NH O CH 3 O N S N O O CH 3 H 3 C IC50 = 8.0 nM 387.46 CC(=O)NC(C)c1cc(-c2cnc(Oc3ccc(OC(C)C)cc3)s2)no1 Homo sapiens CHEMBL916200 cell-based format
CHEMBL2059093 OBDepict CH 3 N N O H 3 C O N N O NH S NH O H 3 C IC50 = 8.1 nM 540.69 CCN1C(=O)C2(CCCN(C3CCN(C(=O)c4c(NC(=O)NC)sc5ccccc45)CC3)C2)C(=O)N1CC Homo sapiens CHEMBL2060085 single protein format
CHEMBL3110076 OBDepict H 3 C O CH 3 N N H CH 3 N N O HN O CH 3 IC50 = 8.2 nM 413.52 CCOc1ccc(N2CCN(c3noc(C4(NC(C)=O)CCC4)n3)[C@@H](C)C2)c(C)c1 Homo sapiens CHEMBL3111438 cell-based format
CHEMBL3699898 OBDepict O N N N HN H H 2 N O N N CH 3 CH 3 CH 3 IC50 = 8.4 nM 421.51 CC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3ccc4[nH]c(N)nc4c3)CC1)C2 Homo sapiens CHEMBL3706246 cell-based format
CHEMBL2030575 OBDepict H 3 C HN N H O S N N O CH 3 N O N O CH 3 H 3 C IC50 = 8.5 nM 540.69 CNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC(N2CCC[C@]3(CC(=O)N(C(C)C)C3=O)C2)CC1 Homo sapiens CHEMBL2032633 single protein format
CHEMBL3699908 OBDepict H 3 C N H N N H N O NH O N N H 3 C CH 3 H 3 C IC50 = 8.6 nM 435.53 CNc1n[nH]c2ccc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc12 Homo sapiens CHEMBL3706246 cell-based format
CHEMBL2059097 OBDepict H 3 C HN N H O S N O N O N O N IC50 = 8.7 nM 552.7 CNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(N2CCCC3(C2)C(=O)N2CCCCCN2C3=O)CC1 Homo sapiens CHEMBL2060085 single protein format
CHEMBL3699828 OBDepict O N Cl N NH O N N H 3 C CH 3 H 3 C IC50 = 8.9 nM 451.96 CC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3ccc4ccnc(Cl)c4c3)CC1)C2 Homo sapiens CHEMBL3706246 cell-based format
CHEMBL2030574 OBDepict CH 3 HN N H O S N N O CH 3 N O N CH 3 H 3 C IC50 = 9.0 nM 540.73 CCNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC(N2CCC[C@]3(CCN(C(C)C)C3=O)C2)CC1 Homo sapiens CHEMBL2032633 single protein format
CHEMBL232004 OBDepict CH 3 CH 3 O CH 3 O N S N H CH 3 O CH 3 IC50 = 9.0 nM 372.49 CC(=O)NC(C)C#Cc1cnc(Oc2ccc(OCC(C)C)cc2C)s1 Homo sapiens CHEMBL897147 single protein format
CHEMBL3691052 OBDepict CH 3 N H O N S H 3 C N H O H 3 C H O N N O H F F IC50 = 9.0 nM 571.65 CC(=O)Nc1nc(C)c(C(=O)N[C@@H](C)c2ccc(OC3CCN(c4ccc(OC[C@H]5CC5(F)F)cn4)C3)cc2)s1 Homo sapiens CHEMBL3705927 cell-based format
CHEMBL384907 OBDepict CH 3 N H N H O H 3 C S N O O IC50 = 9.0 nM 371.46 CNC(=O)NC(C)C#Cc1cnc(Oc2ccc(OCC3CC3)cc2)s1 Homo sapiens CHEMBL916200 cell-based format
CHEMBL3699874 OBDepict CH 3 O N N O N H O N N CH 3 CH 3 H 3 C IC50 = 9.2 nM 447.54 COc1ccc2ncc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc2c1 Homo sapiens CHEMBL3706246 cell-based format
CHEMBL3699910 OBDepict CH 3 N H N N O N H O N N CH 3 CH 3 H 3 C IC50 = 9.2 nM 446.56 CNc1cc2ccc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc2cn1 Homo sapiens CHEMBL3706246 cell-based format
CHEMBL3699855 OBDepict CH 3 NH N N O N H O N N H 3 C H 3 C IC50 = 9.2 nM 432.53 CNc1ccc2ccc(C(=O)N3CCC4(CC3)Cc3cnn(C(C)C)c3C(=O)N4)cc2n1 Homo sapiens CHEMBL3706246 cell-based format
CHEMBL1958359 OBDepict O N O N N O CH 3 N N H IC50 = 9.4 nM 433.51 Cc1cc(C(=O)N2CCC3(CC2)CC(=O)c2nn(C4CCCC4)cc2O3)cc2cn[nH]c12 Homo sapiens CHEMBL1959087 cell-based format
CHEMBL4762472 OBDepict CH 3 N H 3 C N N O O O OH O N N CH 3 CH 3 CH 3 IC50 = 9.4 nM 531.61 CN(C)c1cc(C(=O)N2CCC3(CC2)CC(=O)c2nn(C(C)(C)C)cc2O3)cc(-c2ccc(C(=O)O)cc2)n1 Homo sapiens CHEMBL4669980 single protein format
CHEMBL3110075 OBDepict CH 3 O H 3 C N N H H 3 C N N O N H H 3 C H 3 C O H 3 C IC50 = 9.8 nM 401.51 CCOc1ccc(N2CCN(c3noc(C(C)(C)NC(C)=O)n3)[C@@H](C)C2)c(C)c1 Homo sapiens CHEMBL3111438 cell-based format