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O14920 | IKKB_HUMAN | Inhibitor of nuclear factor kappa-B kinase subunit beta (IKBKB)

3D structures mapped by conservation among orthologs

[ Domain: "Protein kinase" // Pkinase_Tyr ]

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[ Domain: "Ubiquitin-like" // ubiquitin_4 ]

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[ Domain: "Inhibitor of kappaB kinase beta dimerization domain" // KOG4250 ]

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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
CHEMBL4868141 OBDepict H 2 N N O O HN NH S O O IC50 = -36000.0 nM 532.67 Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2OC2CCCCC2)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804391 cell-based format
CHEMBL4855730 OBDepict F NH S N O O H 2 N O HN IC50 = -19500.0 nM 452.51 Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2F)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804391 cell-based format
CHEMBL4859660 OBDepict NH 2 N F + N O NH O _ O IC50 = -15000.0 nM 378.36 Nc1ncc(-c2cccc([N+](=O)[O-])c2F)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804391 cell-based format
CHEMBL4855542 OBDepict NH 2 N S N O NH IC50 = -3300.0 nM 372.45 Nc1ncc(-c2cccc3ncsc23)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804391 cell-based format
CHEMBL3897289 OBDepict CH 3 N H N N N H N H O H O HO N N IC50 = 0.08 nM 507.55 CNc1nccc(-c2cc3cc(C(=O)N[C@@H](CN(c4ccccc4)c4ccccn4)C(=O)O)ccc3[nH]2)n1 Homo sapiens CHEMBL3879976 single protein format
CHEMBL1669563 OBDepict CH 3 O N H N Cl HN O N N O NH 2 F IC50 = 0.6 nM 534.98 COCCNc1cc(C(=O)Nc2ccc3c(c2)-c2c(c(C(N)=O)nn2-c2ccc(F)cc2)CC3)c(Cl)cn1 Homo sapiens CHEMBL1670064 single protein format
CHEMBL1669562 OBDepict HO N N Cl N H O N N O NH 2 F IC50 = 0.6 nM 561.02 NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCc1ccc(NC(=O)c3cc(N4CCC(O)CC4)ncc3Cl)cc1-2 Homo sapiens CHEMBL1670064 single protein format
CHEMBL1669551 OBDepict CH 3 N N N Cl NH O N N O H 2 N OH IC50 = 1.2 nM 558.04 CN1CCN(c2cc(C(=O)Nc3ccc4c(c3)-c3c(c(C(N)=O)nn3-c3cccc(O)c3)CC4)c(Cl)cn2)CC1 Homo sapiens CHEMBL1670064 single protein format
CHEMBL516203 OBDepict O O N H N H NH OH O Ki = 2.0 nM 395.46 O=C1Nc2nc(-c3c(O)cccc3OCC3CC3)cc([C@@H]3CCCNC3)c2CO1 Homo sapiens CHEMBL1014534 single protein format
CHEMBL1669560 OBDepict CH 3 N N N Cl NH O N N O H 2 N OH Cl IC50 = 2.2 nM 592.49 CN1CCN(c2cc(C(=O)Nc3ccc4c(c3)-c3c(c(C(N)=O)nn3-c3ccc(Cl)c(O)c3)CC4)c(Cl)cn2)CC1 Homo sapiens CHEMBL1670064 single protein format
CHEMBL1669559 OBDepict CH 3 N N N Cl NH O N N O H 2 N Cl OH IC50 = 2.8 nM 592.49 CN1CCN(c2cc(C(=O)Nc3ccc4c(c3)-c3c(c(C(N)=O)nn3-c3ccc(O)c(Cl)c3)CC4)c(Cl)cn2)CC1 Homo sapiens CHEMBL1670064 single protein format
CHEMBL249280 OBDepict CH 3 NH N N N S H 3 C N H S O O NH 2 IC50 = 3.0 nM 402.51 CNc1nc2cc(-c3cccc(CNS(N)(=O)=O)c3)sc2n2c(C)cnc12 Homo sapiens CHEMBL888323 single protein format
CHEMBL182407 OBDepict N NH 2 N N H OH O IC50 = 3.0 nM 364.45 N#Cc1c(C2CCCNC2)cc(-c2c(O)cccc2OCC2CC2)nc1N Homo sapiens CHEMBL833584 single protein format
CHEMBL1669558 OBDepict CH 3 N N N Cl NH O N N O H 2 N OH IC50 = 3.5 nM 558.04 CN1CCN(c2cc(C(=O)Nc3ccc4c(c3)-c3c(c(C(N)=O)nn3-c3ccc(O)cc3)CC4)c(Cl)cn2)CC1 Homo sapiens CHEMBL1670064 single protein format
CHEMBL3946903 OBDepict CH 3 N H N N N H N H O H O HO N N N IC50 = 3.8 nM 508.54 CNc1nccc(-c2cc3cc(C(=O)N[C@@H](CN(c4ccccc4)c4ncccn4)C(=O)O)ccc3[nH]2)n1 Homo sapiens CHEMBL3879976 single protein format
CHEMBL183703 OBDepict N H 2 N N N H OH O IC50 = 4.0 nM 378.48 N#Cc1c(C2CCCNC2)cc(-c2c(O)cccc2OCC2CCC2)nc1N Homo sapiens CHEMBL833584 single protein format
CHEMBL1669556 OBDepict CH 3 N N N Cl NH O N N O H 2 N F IC50 = 4.8 nM 560.03 CN1CCN(c2cc(C(=O)Nc3ccc4c(c3)-c3c(c(C(N)=O)nn3-c3cccc(F)c3)CC4)c(Cl)cn2)CC1 Homo sapiens CHEMBL1670064 single protein format
CHEMBL181495 OBDepict N NH 2 N N H OH O CH 3 CH 3 IC50 = 5.0 nM 366.47 CC(C)COc1cccc(O)c1-c1cc(C2CCCNC2)c(C#N)c(N)n1 Homo sapiens CHEMBL833584 single protein format
CHEMBL181334 OBDepict CH 3 O HO N NH 2 N HN IC50 = 5.0 nM 352.44 CCCOc1cccc(O)c1-c1cc(C2CCCNC2)c(C#N)c(N)n1 Homo sapiens CHEMBL833584 single protein format
CHEMBL1923988 OBDepict CH 3 NH N N N N H H 3 C N N H O N CH 3 H 3 C IC50 = 5.0 nM 406.49 CNc1nc2[nH]c(-c3cccc(CNC(=O)CCN(C)C)n3)cc2c2c1ncn2C Homo sapiens CHEMBL1924373 single protein format
CHEMBL493974 OBDepict CH 3 NH N N S N N H 3 C N H S O O CH 3 IC50 = 5.0 nM 402.51 CNc1nc2sc(-c3cccc(CNS(C)(=O)=O)c3)nc2c2c1ncn2C Homo sapiens CHEMBL960916 single protein format
CHEMBL1921823 OBDepict CH 3 HN N O CH 3 N N H N N CH 3 N N H H 3 C IC50 = 5.7 nM 378.44 CNC(=O)N(C)Cc1cccc(-c2cc3c(nc(NC)c4ncn(C)c43)[nH]2)n1 Homo sapiens CHEMBL1924373 single protein format
CHEMBL1642545 OBDepict H 3 C N H N N S N N CH 3 HN CH 3 H O CH 3 IC50 = 6.0 nM 380.48 CNc1nc2sc(-c3cccc([C@H](C)NC(C)=O)c3)nc2c2c1ncn2C Homo sapiens CHEMBL1646312 single protein format
CHEMBL182749 OBDepict H 3 C O OH N NH 2 N NH IC50 = 6.0 nM 380.49 CCCCCOc1cccc(O)c1-c1cc(C2CCCNC2)c(C#N)c(N)n1 Homo sapiens CHEMBL833584 single protein format
CHEMBL521643 OBDepict H 3 C N H N N S N N CH 3 IC50 = 6.0 nM 295.37 CNc1nc2sc(-c3ccccc3)nc2c2c1ncn2C Homo sapiens CHEMBL960916 single protein format
CHEMBL1669561 OBDepict H 3 C O N N O H 2 N N H O Cl N N N CH 3 IC50 = 6.1 nM 572.07 COc1ccc(-n2nc(C(N)=O)c3c2-c2cc(NC(=O)c4cc(N5CCN(C)CC5)ncc4Cl)ccc2CC3)cc1 Homo sapiens CHEMBL1670064 single protein format
CHEMBL1831199 OBDepict CH 3 N H N NH N S H 3 C N H S O O NH 2 IC50 = 7.0 nM 418.55 CNC1=Nc2cc(-c3cccc(CCNS(N)(=O)=O)c3)sc2N2C(C)=CNC12 Homo sapiens CHEMBL1832646 single protein format
CHEMBL249482 OBDepict CH 3 N H N N N S H 3 C N H S O O NH 2 IC50 = 7.0 nM 416.53 CNc1nc2cc(-c3cccc(CCNS(N)(=O)=O)c3)sc2n2c(C)cnc12 Homo sapiens CHEMBL888323 single protein format
CHEMBL399486 OBDepict H 3 C N H N N N S CH 3 O NH 2 IC50 = 8.0 nM 351.44 CNc1nc2cc(-c3cccc(CC(N)=O)c3)sc2n2c(C)cnc12 Homo sapiens CHEMBL888323 single protein format
CHEMBL1831200 OBDepict H 3 C N H N HN N S CH 3 O NH 2 IC50 = 8.0 nM 353.45 CNC1=Nc2cc(-c3cccc(CC(N)=O)c3)sc2N2C(C)=CNC12 Homo sapiens CHEMBL1832646 single protein format
CHEMBL249104 OBDepict NH 2 NH N N N S H 3 C HO IC50 = 8.0 nM 353.45 Cc1cnc2c(NCCN)nc3cc(-c4cccc(CO)c4)sc3n12 Homo sapiens CHEMBL888323 single protein format
CHEMBL1831076 OBDepict H 3 C N H N N N S CH 3 O CH 3 IC50 = 8.0 nM 350.45 CNc1nc2cc(-c3cccc(CC(C)=O)c3)sc2n2c(C)cnc12 Homo sapiens CHEMBL1832646 single protein format
CHEMBL474802 OBDepict CH N NH N H N O Cl IC50 = 8.0 nM 370.88 C#C/N=C(NCCCCCCOc1ccc(Cl)cc1)Nc1ccncc1 Homo sapiens CHEMBL1014534 single protein format
CHEMBL1831201 OBDepict H 3 C N H N HN N S CH 3 NH 2 IC50 = 8.5 nM 325.44 CNC1=Nc2cc(-c3cccc(CN)c3)sc2N2C(C)=CNC12 Homo sapiens CHEMBL1832646 single protein format
CHEMBL368427 OBDepict N NH 2 N NH OH O IC50 = 8.5 nM 364.45 N#Cc1c(C2CCNCC2)cc(-c2c(O)cccc2OCC2CC2)nc1N Homo sapiens CHEMBL833584 single protein format
CHEMBL400077 OBDepict H 3 C N H N N N S CH 3 NH 2 IC50 = 8.5 nM 323.43 CNc1nc2cc(-c3cccc(CN)c3)sc2n2c(C)cnc12 Homo sapiens CHEMBL888323 single protein format
CHEMBL361233 OBDepict N NH 2 N HN HO O IC50 = 9.0 nM 400.48 N#Cc1c(C2CCCNC2)cc(-c2c(O)cccc2OCc2ccccc2)nc1N Homo sapiens CHEMBL833584 single protein format
CHEMBL1642549 OBDepict H 3 C N H N N S N N CH 3 HN CH 3 O CH 3 IC50 = 9.0 nM 380.48 CNc1nc2sc(-c3cccc(C(C)NC(C)=O)c3)nc2c2c1ncn2C Homo sapiens CHEMBL1646312 single protein format
CHEMBL1831202 OBDepict H 3 C N H N HN N S CH 3 O OH IC50 = 9.0 nM 368.46 CNC1=Nc2cc(-c3cccc(CCC(=O)O)c3)sc2N2C(C)=CNC12 Homo sapiens CHEMBL1832646 single protein format
CHEMBL1923983 OBDepict H 3 C O N H O N N H N N H 3 C N N H CH 3 IC50 = 9.0 nM 379.42 CNc1nc2[nH]c(-c3cccc(CNC(=O)COC)n3)cc2c2c1ncn2C Homo sapiens CHEMBL1924373 single protein format
CHEMBL249683 OBDepict H 3 C N H N N N S CH 3 O OH IC50 < 9.0 nM 366.45 CNc1nc2cc(-c3cccc(CCC(=O)O)c3)sc2n2c(C)cnc12 Homo sapiens CHEMBL888323 single protein format
CHEMBL1082834 OBDepict O N H CH 3 H 3 C CH 3 N N N H S O O NH 2 IC50 = 10.0 nM 439.54 CC(C)(C)CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)cc1 Homo sapiens CHEMBL1120481 single protein format
CHEMBL1642564 OBDepict CH 3 N H N N S N N H 3 C NH H 3 C H O N CH 3 IC50 = 10.0 nM 477.64 CCNc1nc2sc(-c3cccc([C@H](C)NC(=O)C4CCN(C)CC4)c3)nc2c2c1ncn2C Homo sapiens CHEMBL1646312 single protein format
CHEMBL250106 OBDepict NH 2 NH N N N S H 3 C N N H IC50 = 10.0 nM 313.39 Cc1cnc2c(NCCN)nc3cc(-c4cn[nH]c4)sc3n12 Homo sapiens CHEMBL888323 single protein format
CHEMBL610730 OBDepict F N N O NH 2 N H O Cl N N HN IC50 = 10.0 nM 546.01 NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCc1ccc(NC(=O)c3cc(N4CCNCC4)ncc3Cl)cc1-2 Homo sapiens CHEMBL1066212 single protein format
CHEMBL1669557 OBDepict CH 3 N N N Cl NH O N N O H 2 N F F IC50 = 10.0 nM 578.02 CN1CCN(c2cc(C(=O)Nc3ccc4c(c3)-c3c(c(C(N)=O)nn3-c3ccc(F)c(F)c3)CC4)c(Cl)cn2)CC1 Homo sapiens CHEMBL1670064 single protein format
CHEMBL390201 OBDepict CH 3 NH N N N H 3 C IC50 = 11.0 nM 262.32 CNc1nc2cc3ccccc3cc2c2c(C)cnn12 Homo sapiens CHEMBL907581 single protein format
CHEMBL131693 OBDepict O S N O N H N N N H S O O NH 2 IC50 = 11.0 nM 474.57 NS(=O)(=O)c1ccc(Nc2nccc(-c3ccc(S(=O)(=O)N4CCNCC4)cc3)n2)cc1 Homo sapiens CHEMBL697923 single protein format
CHEMBL493940 OBDepict H 3 C N H N N O N N CH 3 IC50 = 11.0 nM 279.3 CNc1nc2oc(-c3ccccc3)nc2c2c1ncn2C Homo sapiens CHEMBL960916 single protein format
CHEMBL1669334 OBDepict O N H N H H F N N N HN IC50 = 12.0 nM 498.61 O=C(c1ccc(-c2cnc3ccc(NCC4CC4)nn23)cc1)N(Cc1ccccc1)C[C@@H]1C[C@@H](F)CN1 Homo sapiens CHEMBL1671201 single protein format
CHEMBL361841 OBDepict N H 2 N N NH OH O IC50 = 12.0 nM 378.48 N#Cc1c(C2CCNCC2)cc(-c2c(O)cccc2OCC2CCC2)nc1N Homo sapiens CHEMBL833584 single protein format
CHEMBL1923986 OBDepict CH 3 NH N N N N H H 3 C N NH O OH CH 3 H 3 C IC50 = 12.0 nM 393.45 CNc1nc2[nH]c(-c3cccc(CNC(=O)C(C)(C)O)n3)cc2c2c1ncn2C Homo sapiens CHEMBL1924373 single protein format
CHEMBL1923984 OBDepict H 3 C O N H O N N H N N H 3 C N N H CH 3 IC50 = 12.0 nM 393.45 CNc1nc2[nH]c(-c3cccc(CNC(=O)CCOC)n3)cc2c2c1ncn2C Homo sapiens CHEMBL1924373 single protein format
CHEMBL404609 OBDepict NH 2 N H O S O H 2 N IC50 = 13.0 nM 261.31 NC(=O)Nc1sc(-c2ccccc2)cc1C(N)=O Homo sapiens CHEMBL937053 single protein format
CHEMBL1923985 OBDepict HO N H O N N H N N H 3 C N N H CH 3 IC50 = 13.0 nM 365.4 CNc1nc2[nH]c(-c3cccc(CNC(=O)CO)n3)cc2c2c1ncn2C Homo sapiens CHEMBL1924373 single protein format
CHEMBL249886 OBDepict CH 3 N H N N N S H 3 C H 2 N O HO IC50 = 13.0 nM 381.46 CNc1nc2cc(-c3cccc(CC(N)C(=O)O)c3)sc2n2c(C)cnc12 Homo sapiens CHEMBL888323 single protein format
CHEMBL1642547 OBDepict CH 3 N H O H 3 C H S N N N H 2 N CH 3 N IC50 = 13.0 nM 366.45 CC(=O)N[C@@H](C)c1cccc(-c2nc3c(nc(N)c4ncn(C)c43)s2)c1 Homo sapiens CHEMBL1646312 single protein format
CHEMBL398253 OBDepict CH 3 N H N N N S H 3 C N H O H 2 N IC50 = 13.0 nM 394.5 CNc1nc2cc(-c3cccc(CCNCC(N)=O)c3)sc2n2c(C)cnc12 Homo sapiens CHEMBL888323 single protein format
CHEMBL562971 OBDepict H 3 C O N H O N H N N H 3 C N N H CH 3 IC50 = 13.0 nM 392.46 CNc1nc2[nH]c(-c3cccc(CNC(=O)CCOC)c3)cc2c2c1ncn2C Homo sapiens CHEMBL1924373 single protein format
CHEMBL1669337 OBDepict O N H N H N H F N N N H IC50 = 13.0 nM 524.64 O=C(c1ccc(-c2cnc3ccc(NCC4CC4)nn23)cc1)N(C/C=C/c1ccccc1)C[C@@H]1C[C@@H](F)CN1 Homo sapiens CHEMBL1671201 single protein format
CHEMBL399689 OBDepict CH 3 N H N N N S H 3 C NH 2 H O H 2 N IC50 = 14.0 nM 380.48 CNc1nc2cc(-c3cccc(C[C@H](N)C(N)=O)c3)sc2n2c(C)cnc12 Homo sapiens CHEMBL888323 single protein format
CHEMBL1923975 OBDepict CH 3 NH N N N N H H 3 C N N H 3 C O H 3 C IC50 = 14.0 nM 363.43 CNc1nc2[nH]c(-c3cccc(CN(C)C(C)=O)n3)cc2c2c1ncn2C Homo sapiens CHEMBL1924373 single protein format
CHEMBL182173 OBDepict CH 3 O OH N NH 2 N NH IC50 = 14.0 nM 338.41 CCOc1cccc(O)c1-c1cc(C2CCCNC2)c(C#N)c(N)n1 Homo sapiens CHEMBL833584 single protein format
CHEMBL4287153 OBDepict CH 3 HN N N S N N CH 3 N H CH 3 H O S O O CH 3 IC50 = 14.0 nM 520.64 CNc1nc2sc(-c3cccc([C@@H](C)NC(=O)c4ccccc4S(C)(=O)=O)c3)nc2c2c1ncn2C Homo sapiens CHEMBL4251859 single protein format
CHEMBL1669553 OBDepict CH 3 N N N Cl NH O N N O NH 2 CH 3 IC50 = 14.0 nM 556.07 Cc1ccc(-n2nc(C(N)=O)c3c2-c2cc(NC(=O)c4cc(N5CCN(C)CC5)ncc4Cl)ccc2CC3)cc1 Homo sapiens CHEMBL1670064 single protein format
CHEMBL181756 OBDepict CH 3 O HO N NH 2 HN N IC50 = 14.0 nM 408.55 CCCCCCCOc1cccc(O)c1-c1cc(C2CCCNC2)c(C#N)c(N)n1 Homo sapiens CHEMBL833584 single protein format
CHEMBL181434 OBDepict N NH 2 N NH OH O CH 3 CH 3 IC50 = 15.0 nM 366.47 CC(C)COc1cccc(O)c1-c1cc(C2CCNCC2)c(C#N)c(N)n1 Homo sapiens CHEMBL833584 single protein format
CHEMBL1669340 OBDepict OH N O H HN H F N N N HN IC50 = 15.0 nM 452.53 O=C(c1ccc(-c2cnc3ccc(NCC4CC4)nn23)cc1)N(CCO)C[C@@H]1C[C@@H](F)CN1 Homo sapiens CHEMBL1671201 single protein format
CHEMBL360337 OBDepict CH 3 O HO N NH 2 N HN IC50 = 15.0 nM 366.47 CCCCOc1cccc(O)c1-c1cc(C2CCNCC2)c(C#N)c(N)n1 Homo sapiens CHEMBL833584 single protein format
CHEMBL1669342 OBDepict CH 3 NH O N O H N H H F N N N HN IC50 = 15.0 nM 555.66 CC(=O)Nc1ccc(CN(C[C@@H]2C[C@@H](F)CN2)C(=O)c2ccc(-c3cnc4ccc(NCC5CC5)nn34)cc2)cc1 Homo sapiens CHEMBL1671201 single protein format
CHEMBL492527 OBDepict H 3 C NH O S N N N HN CH 3 N CH 3 IC50 = 15.0 nM 290.35 CCNC(=O)c1nc2c(nc(NC)c3ncn(C)c32)s1 Homo sapiens CHEMBL960916 single protein format
CHEMBL492755 OBDepict H 3 C N H N N S N N CH 3 N H O S IC50 = 15.0 nM 358.45 CNc1nc2sc(C(=O)NCc3cccs3)nc2c2c1ncn2C Homo sapiens CHEMBL960916 single protein format
CHEMBL520308 OBDepict OH N S H 3 C O O N N CH 3 H IC50 = 15.0 nM 345.42 Cc1cc2c(-c3ccc(S(=O)(=O)N(C)CCO)cc3)ccnc2[nH]1 Homo sapiens CHEMBL1820098 cell-based format
CHEMBL182358 OBDepict N NH 2 N N H HO OH IC50 = 15.0 nM 310.36 N#Cc1c(C2CCCNC2)cc(-c2c(O)cccc2O)nc1N Homo sapiens CHEMBL833584 single protein format
CHEMBL504727 OBDepict CH 3 N H O S N N N HN H 3 C N CH 3 IC50 = 15.0 nM 276.33 CNC(=O)c1nc2c(nc(NC)c3ncn(C)c32)s1 Homo sapiens CHEMBL960916 single protein format
CHEMBL1807619 OBDepict O N H F H HN N H F N N N H IC50 = 16.0 nM 440.5 O=C(NC[C@@H]1C[C@@H](F)CN1)c1ccc(-c2cnc3ccc(NC4CCCC4)nn23)cc1F Homo sapiens CHEMBL1811604 single protein format
CHEMBL1923973 OBDepict CH 3 NH N N N N H H 3 C N N H H 3 C O CH 3 IC50 = 16.0 nM 363.43 CNc1nc2[nH]c(-c3cccc(C(C)NC(C)=O)n3)cc2c2c1ncn2C Homo sapiens CHEMBL1924373 single protein format
CHEMBL522014 OBDepict CH 3 N H N N S N N H 3 C N H O N S N IC50 = 16.0 nM 436.53 CNc1nc2sc(-c3cccc(CNC(=O)c4csnn4)c3)nc2c2c1ncn2C Homo sapiens CHEMBL960916 single protein format
CHEMBL1669333 OBDepict CH 3 N O H HN H F N N N HN IC50 = 16.0 nM 450.56 CCCN(C[C@@H]1C[C@@H](F)CN1)C(=O)c1ccc(-c2cnc3ccc(NCC4CC4)nn23)cc1 Homo sapiens CHEMBL1671201 single protein format
CHEMBL1642559 OBDepict H 3 C O HN O CH 3 H S N N N N H CH 3 N H 3 C IC50 = 16.0 nM 438.56 CCNc1nc2sc(-c3cccc([C@H](C)NC(=O)COCC)c3)nc2c2c1ncn2C Homo sapiens CHEMBL1646312 single protein format
CHEMBL1669336 OBDepict Cl N O H N H H F N N N NH IC50 = 17.0 nM 533.05 O=C(c1ccc(-c2cnc3ccc(NCC4CC4)nn23)cc1)N(Cc1ccc(Cl)cc1)C[C@@H]1C[C@@H](F)CN1 Homo sapiens CHEMBL1671201 single protein format
CHEMBL1669335 OBDepict Cl N O H N H H F N N N NH IC50 = 17.0 nM 533.05 O=C(c1ccc(-c2cnc3ccc(NCC4CC4)nn23)cc1)N(Cc1cccc(Cl)c1)C[C@@H]1C[C@@H](F)CN1 Homo sapiens CHEMBL1671201 single protein format
CHEMBL1807618 OBDepict O HN F H N H N H F N N HN IC50 = 17.0 nM 426.47 O=C(NC[C@@H]1C[C@@H](F)CN1)c1ccc(-c2cnc3ccc(NC4CCC4)nn23)cc1F Homo sapiens CHEMBL1811604 single protein format
CHEMBL1669341 OBDepict O N H HN H F N N N O HO HN IC50 = 17.0 nM 542.62 O=C(O)c1ccc(CN(C[C@@H]2C[C@@H](F)CN2)C(=O)c2ccc(-c3cnc4ccc(NCC5CC5)nn34)cc2)cc1 Homo sapiens CHEMBL1671201 single protein format
CHEMBL602534 OBDepict H 2 N HN O O H 2 N F IC50 = 18.0 nM 261.26 NC(=O)NC1=C(C(N)=O)C=C(c2ccc(F)cc2)C1 Homo sapiens CHEMBL1070134 single protein format
CHEMBL231530 OBDepict CH 3 NH N N N H 3 C IC50 = 18.0 nM 262.32 CNc1nc2cc3ccccc3cc2n2c(C)cnc12 Homo sapiens CHEMBL907581 single protein format
CHEMBL249481 OBDepict CH 3 N H N N N S H 3 C N H O H 2 N IC50 = 18.0 nM 380.48 CNc1nc2cc(-c3cccc(CCNC(N)=O)c3)sc2n2c(C)cnc12 Homo sapiens CHEMBL888323 single protein format
CHEMBL230184 OBDepict OH NH N N N H 3 C IC50 = 18.0 nM 292.34 Cc1cnc2c(NCCO)nc3cc4ccccc4cc3n12 Homo sapiens CHEMBL907581 single protein format
CHEMBL1669332 OBDepict CH 3 N O H HN H F N N N HN IC50 = 18.0 nM 436.54 CCN(C[C@@H]1C[C@@H](F)CN1)C(=O)c1ccc(-c2cnc3ccc(NCC4CC4)nn23)cc1 Homo sapiens CHEMBL1671201 single protein format
CHEMBL257167 OBDepict NH 2 N H O S O H 2 N F IC50 = 18.0 nM 279.3 NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O Homo sapiens CHEMBL921576 single protein format
CHEMBL399688 OBDepict CH 3 N H N N N S H 3 C O H 2 N IC50 = 19.0 nM 365.46 CNc1nc2cc(-c3cccc(CCC(N)=O)c3)sc2n2c(C)cnc12 Homo sapiens CHEMBL888323 single protein format
CHEMBL1923989 OBDepict H 3 C O N O H 3 C N N H N N H 3 C N N H CH 3 IC50 = 19.0 nM 393.45 CNc1nc2[nH]c(-c3cccc(CN(C)C(=O)COC)n3)cc2c2c1ncn2C Homo sapiens CHEMBL1924373 single protein format
CHEMBL589338 OBDepict H 3 C N CH 3 N CH 3 N Cl NH O N N O H 2 N F IC50 = 19.0 nM 562.05 CN(C)CCN(C)c1cc(C(=O)Nc2ccc3c(c2)-c2c(c(C(N)=O)nn2-c2ccc(F)cc2)CC3)c(Cl)cn1 Homo sapiens CHEMBL1066212 single protein format
CHEMBL569998 OBDepict H 3 C S N N N H S O O NH 2 IC50 = 19.0 nM 346.44 Cc1ccc(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)s1 Homo sapiens CHEMBL1120481 single protein format
CHEMBL1923972 OBDepict CH 3 HN N N N N H CH 3 N HN O CH 3 IC50 = 19.0 nM 349.4 CNc1nc2[nH]c(-c3cccc(CNC(C)=O)n3)cc2c2c1ncn2C Homo sapiens CHEMBL1924373 single protein format
CHEMBL1642546 OBDepict H 3 C N H N N S N N CH 3 HN CH 3 H O CH 3 IC50 = 19.0 nM 394.5 CCNc1nc2sc(-c3cccc([C@H](C)NC(C)=O)c3)nc2c2c1ncn2C Homo sapiens CHEMBL1646312 single protein format
CHEMBL1807616 OBDepict CH 3 NH N N N F N H O H N H H F IC50 = 19.0 nM 428.49 CCCCNc1ccc2ncc(-c3ccc(C(=O)NC[C@@H]4C[C@@H](F)CN4)c(F)c3)n2n1 Homo sapiens CHEMBL1811604 single protein format
CHEMBL129857 OBDepict CH 3 O N H N N N O O S H 3 C Ki = 20.0 nM 366.4 COc1cccc2nc(-c3cccs3)nc(NN3C(=O)C=C(C)C3=O)c12 Homo sapiens CHEMBL4342903 single protein format
CHEMBL1642565 OBDepict CH 3 N H N N S N N H 3 C NH H 3 C H O N H IC50 = 20.0 nM 463.61 CCNc1nc2sc(-c3cccc([C@H](C)NC(=O)C4CCNCC4)c3)nc2c2c1ncn2C Homo sapiens CHEMBL1646312 single protein format
CHEMBL1923991 OBDepict H 3 C O N H N N H N N H 3 C N N H CH 3 IC50 = 20.0 nM 351.41 CNc1nc2[nH]c(-c3cccc(NCCOC)n3)cc2c2c1ncn2C Homo sapiens CHEMBL1924373 single protein format