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O15111 | IKKA_HUMAN | Inhibitor of nuclear factor kappa-B kinase subunit alpha (CHUK)

3D structures mapped by conservation among orthologs

[ Domain: "Protein kinase" // Pkinase_Tyr ]

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[ Domain: "Ubiquitin-like" // RAWUL_2 ]

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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 = -34300.0 nM 532.67 Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2OC2CCCCC2)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804390 cell-based format
CHEMBL4867931 OBDepict H 3 C O N H S N O O H 2 N O HN IC50 = -26200.0 nM 464.55 COc1cc(NS(=O)(=O)C2CC2)ccc1-c1cnc(N)c(-c2ccc3c(c2)CCNC3=O)c1 Homo sapiens CHEMBL4804390 cell-based format
CHEMBL4859660 OBDepict NH 2 N F + N O NH O _ O IC50 = -18400.0 nM 378.36 Nc1ncc(-c2cccc([N+](=O)[O-])c2F)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804390 cell-based format
CHEMBL4855730 OBDepict F NH S N O O H 2 N O HN IC50 = -17300.0 nM 452.51 Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2F)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804390 cell-based format
CHEMBL549478 OBDepict CH 3 NH N N N N H H 3 C F IC50 = 7.0 nM 295.32 CNc1nc2[nH]c(-c3cccc(F)c3)cc2c2c1ncn2C Homo sapiens CHEMBL1025323 single protein format
CHEMBL558491 OBDepict CH 3 NH N N N N H H 3 C N IC50 = 7.0 nM 302.34 CNc1nc2[nH]c(-c3cccc(C#N)c3)cc2c2c1ncn2C Homo sapiens CHEMBL1025323 single protein format
CHEMBL551773 OBDepict CH 3 NH N N N N H H 3 C O CH 3 IC50 = 8.0 nM 307.36 CNc1nc2[nH]c(-c3cccc(OC)c3)cc2c2c1ncn2C Homo sapiens CHEMBL1025323 single protein format
CHEMBL4859206 OBDepict OH O N N F F F IC50 = 10.58 nM 306.24 Oc1ccccc1-c1nc(-c2ccc(C(F)(F)F)cc2)no1 Homo sapiens CHEMBL4837834 single protein format
CHEMBL1876217 OBDepict HO O N N IC50 = 11.0 nM 238.25 Oc1ccccc1-c1nc(-c2ccccc2)no1 Homo sapiens CHEMBL4837834 single protein format
CHEMBL562720 OBDepict CH 3 NH N N N N H H 3 C NH 2 IC50 = 11.0 nM 306.37 CNc1nc2[nH]c(-c3cccc(CN)c3)cc2c2c1ncn2C Homo sapiens CHEMBL1025323 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 = 12.0 nM 392.46 CNc1nc2[nH]c(-c3cccc(CNC(=O)CCOC)c3)cc2c2c1ncn2C Homo sapiens CHEMBL1025323 single protein format
CHEMBL552183 OBDepict CH 3 HN N N N N H CH 3 HN O CH 3 IC50 = 14.0 nM 348.41 CNc1nc2[nH]c(-c3cccc(CNC(C)=O)c3)cc2c2c1ncn2C Homo sapiens CHEMBL1025323 single protein format
CHEMBL4849098 OBDepict HO O N N IC50 = 15.94 nM 252.27 Oc1ccccc1-c1nc(Cc2ccccc2)no1 Homo sapiens CHEMBL4837834 single protein format
CHEMBL562370 OBDepict CH 3 NH N N N N H H 3 C N H O O H 2 N IC50 = 22.0 nM 405.46 CNc1nc2[nH]c(-c3cccc(CNC(=O)CCC(N)=O)c3)cc2c2c1ncn2C Homo sapiens CHEMBL1025323 single protein format
CHEMBL561447 OBDepict HO N H O N H N N H 3 C N N H CH 3 IC50 = 25.0 nM 364.41 CNc1nc2[nH]c(-c3cccc(CNC(=O)CO)c3)cc2c2c1ncn2C Homo sapiens CHEMBL1025323 single protein format
CHEMBL360077 OBDepict N NH 2 N N H OH IC50 = 25.0 nM 294.36 N#Cc1c(C2CCCNC2)cc(-c2ccccc2O)nc1N Homo sapiens CHEMBL828483 single protein format
CHEMBL199837 OBDepict O N NH N N N S NH 2 CH 3 CH 3 IC50 = 30.0 nM 518.73 CC(C)(N)CCc1ccc(-c2ccnc(Nc3ccc(C(=O)N4CCC(N5CCCC5)CC4)cc3)n2)s1 Homo sapiens CHEMBL859877 single protein format
CHEMBL382945 OBDepict H 3 C NH 2 CH 3 S N N N H N O N IC50 = 30.0 nM 546.79 CCC(N)(CC)CCc1ccc(-c2ccnc(Nc3ccc(C(=O)N4CCC(N5CCCC5)CC4)cc3)n2)s1 Homo sapiens CHEMBL859877 single protein format
CHEMBL551024 OBDepict NH 2 N N H N H NH O F F F F IC50 = 32.0 nM 519.5 NCc1ccc(-c2cnc3[nH]cc(-c4cccc(NC(=O)Nc5ccc(C(F)(F)F)cc5F)c4)c3c2)cc1 Homo sapiens CHEMBL1026937 single protein format
CHEMBL590109 OBDepict H 2 N N N N NH 2 N N S H IC50 = 33.0 nM 425.52 NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc21 Homo sapiens CHEMBL1072654 single protein format
CHEMBL560708 OBDepict CH 3 N H N N N N H H 3 C N H O N S N IC50 = 39.0 nM 418.49 CNc1nc2[nH]c(-c3cccc(CNC(=O)c4csnn4)c3)cc2c2c1ncn2C Homo sapiens CHEMBL1025323 single protein format
CHEMBL565076 OBDepict CH 3 NH N N N N H H 3 C IC50 = 40.0 nM 277.33 CNc1nc2[nH]c(-c3ccccc3)cc2c2c1ncn2C Homo sapiens CHEMBL1025323 single protein format
CHEMBL549479 OBDepict CH 3 NH N N N N H H 3 C F IC50 = 43.0 nM 295.32 CNc1nc2[nH]c(-c3ccc(F)cc3)cc2c2c1ncn2C Homo sapiens CHEMBL1025323 single protein format
CHEMBL556806 OBDepict CH 3 NH N N N N H H 3 C F IC50 = 44.0 nM 295.32 CNc1nc2[nH]c(-c3ccccc3F)cc2c2c1ncn2C Homo sapiens CHEMBL1025323 single protein format
CHEMBL1092754 OBDepict OH N H O N N CH 3 O O OH IC50 = 50.0 nM 455.47 Cn1cc(/C=C2Oc3cccc(O)c3C2=O)c2c(-c3ccc(C(=O)NCCO)cc3)ccnc21 Homo sapiens CHEMBL1107914 single protein format
CHEMBL563554 OBDepict CH 3 NH N N N N H H 3 C N H O N CH 3 CH 3 IC50 = 79.0 nM 391.48 CNc1nc2[nH]c(-c3cccc(CNC(=O)CN(C)C)c3)cc2c2c1ncn2C Homo sapiens CHEMBL1025323 single protein format
CHEMBL4089551 OBDepict N N H N N NH 2 S O O NH 2 Ki = 80.0 nM 314.33 N#Cc1c[nH]c2nc(N)nc(-c3ccc(S(N)(=O)=O)cc3)c12 Homo sapiens CHEMBL4040600 assay format
CHEMBL81603 OBDepict H N N Cl Cl O IC50 = 80.0 nM 307.18 Clc1cc2c3cc[nH]cc-3nc2c(Cl)c1OCC1CC1 Homo sapiens CHEMBL694794 cell-based format
CHEMBL578601 OBDepict H 3 C N N S NH 2 O NH 2 H 2 N IC50 = 90.0 nM 333.46 CCCc1cc(N2CCC(N)CC2)nc2sc(C(N)=O)c(N)c12 Homo sapiens CHEMBL1047289 single protein format
CHEMBL372736 OBDepict H 3 C O HN N O N N N S IC50 = 100.0 nM 513.67 COc1cc(Nc2nccc(-c3cc4ccccc4s3)n2)ccc1C(=O)N1CCC(N2CCCC2)CC1 Homo sapiens CHEMBL859877 single protein format
CHEMBL1688215 OBDepict NH 2 N N N H N H 2 N IC50 = 100.0 nM 226.24 Nc1nccc(-c2ccc3c(N)n[nH]c3c2)n1 Homo sapiens CHEMBL1696432 single protein format
CHEMBL79004 OBDepict Cl N H N O H N N IC50 = 100.0 nM 322.75 O=C(Nc1cc(Cl)cc2c1[nH]c1cnccc12)c1cccnc1 Homo sapiens CHEMBL694794 cell-based format
CHEMBL249481 OBDepict CH 3 N H N N N S H 3 C N H O H 2 N IC50 = 130.0 nM 380.48 CNc1nc2cc(-c3cccc(CCNC(N)=O)c3)sc2n2c(C)cnc12 Homo sapiens CHEMBL888322 single protein format
CHEMBL81229 OBDepict CH 3 O Cl Cl N N H IC50 = 140.0 nM 281.14 CCOc1c(Cl)cc2c3cc[nH]cc-3nc2c1Cl Homo sapiens CHEMBL694794 cell-based format
CHEMBL254556 OBDepict O N H HN N N NH S N IC50 = 146.0 nM 416.51 O=C(Nc1ccc(-c2ccnc(Nc3ccc4ncsc4c3)n2)cc1)C1CCCN1 Homo sapiens CHEMBL921617 single protein format
CHEMBL200229 OBDepict H 3 C N CH 3 N O HN N N S IC50 = 150.0 nM 457.6 CN(C)C1CCN(C(=O)c2ccc(Nc3nccc(-c4cc5ccccc5s4)n3)cc2)CC1 Homo sapiens CHEMBL859877 single protein format
CHEMBL337236 OBDepict H 2 N O N H N H N N S N O O N H IC50 = 154.0 nM 553.65 NC(=O)c1c[nH]c2ccc(-c3ccc(Nc4nccc(-c5ccc(S(=O)(=O)N6CCNCC6)cc5)n4)cc3)cc12 Homo sapiens CHEMBL698194 single protein format
CHEMBL132942 OBDepict CH 3 O O NH H 3 C O H 3 C N N S N O O N H IC50 = 155.0 nM 485.57 COc1cc(Nc2nccc(-c3ccc(S(=O)(=O)N4CCNCC4)cc3)n2)cc(OC)c1OC Homo sapiens CHEMBL698194 single protein format
CHEMBL249280 OBDepict CH 3 NH N N N S H 3 C N H S O O NH 2 IC50 = 170.0 nM 402.51 CNc1nc2cc(-c3cccc(CNS(N)(=O)=O)c3)sc2n2c(C)cnc12 Homo sapiens CHEMBL888322 single protein format
CHEMBL312651 OBDepict H 3 C O Cl Cl N N H IC50 = 170.0 nM 267.12 COc1c(Cl)cc2c3cc[nH]cc-3nc2c1Cl Homo sapiens CHEMBL694794 cell-based format
CHEMBL249887 OBDepict CH 3 N H N N N S H 3 C NH 2 H O H 2 N IC50 = 190.0 nM 380.48 CNc1nc2cc(-c3cccc(C[C@@H](N)C(N)=O)c3)sc2n2c(C)cnc12 Homo sapiens CHEMBL888322 single protein format
CHEMBL200027 OBDepict O N NH N N N S IC50 = 200.0 nM 483.64 O=C(c1ccc(Nc2nccc(-c3cc4ccccc4s3)n2)cc1)N1CCC(N2CCCC2)CC1 Homo sapiens CHEMBL859877 single protein format
CHEMBL78464 OBDepict Cl Cl N H N IC50 = 200.0 nM 237.09 Clc1cc(Cl)c2[nH]c3cnccc3c2c1 Homo sapiens CHEMBL694794 cell-based format
CHEMBL400077 OBDepict H 3 C N H N N N S CH 3 NH 2 IC50 = 220.0 nM 323.43 CNc1nc2cc(-c3cccc(CN)c3)sc2n2c(C)cnc12 Homo sapiens CHEMBL888322 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 = 230.0 nM 380.48 CNc1nc2sc(-c3cccc([C@H](C)NC(C)=O)c3)nc2c2c1ncn2C Homo sapiens CHEMBL1646310 single protein format
CHEMBL231530 OBDepict CH 3 NH N N N H 3 C IC50 = 230.0 nM 262.32 CNc1nc2cc3ccccc3cc2n2c(C)cnc12 Homo sapiens CHEMBL907582 single protein format
CHEMBL388978 OBDepict CH 3 HN H H O H O N H 3 C H 3 C N O N H IC50 = 233.0 nM 466.54 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL963406 single protein format
CHEMBL131693 OBDepict O S N O N H N N N H S O O NH 2 IC50 = 245.0 nM 474.57 NS(=O)(=O)c1ccc(Nc2nccc(-c3ccc(S(=O)(=O)N4CCNCC4)cc3)n2)cc1 Homo sapiens CHEMBL698194 single protein format
CHEMBL536151 OBDepict Cl OH N H O F F F F F F IC50 = 250.0 nM 383.68 O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O Homo sapiens CHEMBL4837834 single protein format
CHEMBL368427 OBDepict N NH 2 N NH OH O IC50 = 250.0 nM 364.45 N#Cc1c(C2CCNCC2)cc(-c2c(O)cccc2OCC2CC2)nc1N Homo sapiens CHEMBL828484 single protein format
CHEMBL400078 OBDepict CH 3 N H N N N S H 3 C N H O H 2 N IC50 = 260.0 nM 366.45 CNc1nc2cc(-c3cccc(CNC(N)=O)c3)sc2n2c(C)cnc12 Homo sapiens CHEMBL888322 single protein format
CHEMBL399689 OBDepict CH 3 N H N N N S H 3 C NH 2 H O H 2 N IC50 = 260.0 nM 380.48 CNc1nc2cc(-c3cccc(C[C@H](N)C(N)=O)c3)sc2n2c(C)cnc12 Homo sapiens CHEMBL888322 single protein format
CHEMBL493940 OBDepict H 3 C N H N N O N N CH 3 IC50 = 270.0 nM 279.3 CNc1nc2oc(-c3ccccc3)nc2c2c1ncn2C Homo sapiens CHEMBL960915 single protein format
CHEMBL80843 OBDepict Cl N H N O H N N IC50 = 300.0 nM 322.75 O=C(Nc1cc(Cl)cc2c1[nH]c1cnccc12)c1ccncc1 Homo sapiens CHEMBL694794 cell-based format
CHEMBL399368 OBDepict CH 3 HN O NH 2 S N N CH 3 N N H H 3 C IC50 = 330.0 nM 394.5 CNC(=O)C(N)Cc1cccc(-c2cc3nc(NC)c4ncc(C)n4c3s2)c1 Homo sapiens CHEMBL888322 single protein format
CHEMBL2436977 OBDepict CH 3 N N N N H N N H IC50 = 330.0 nM 422.54 CN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5cnc6[nH]ccc6c5)c4c3)cc2)CC1 Homo sapiens CHEMBL2439144 single protein format
CHEMBL133823 OBDepict CH 3 S N H O O N H N N S N O O NH IC50 = 331.0 nM 488.6 CS(=O)(=O)Nc1ccc(Nc2nccc(-c3ccc(S(=O)(=O)N4CCNCC4)cc3)n2)cc1 Homo sapiens CHEMBL698194 single protein format
CHEMBL3426225 OBDepict H 3 C N N N N NH 2 CH 3 N H O F F F N N CH 3 IC50 = 353.0 nM 576.63 CCn1nc(C#Cc2cc(C(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)ccc2C)c2c(N)ncnc21 Homo sapiens CHEMBL3429882 single protein format
CHEMBL536520 OBDepict CH 3 HN NH N N N H 3 C ClH IC50 = 390.0 nM 341.85 CNCCNc1nc2cc3ccccc3cc2n2c(C)cnc12.Cl Homo sapiens CHEMBL907582 single protein format
CHEMBL398253 OBDepict CH 3 N H N N N S H 3 C N H O H 2 N IC50 = 390.0 nM 394.5 CNc1nc2cc(-c3cccc(CCNCC(N)=O)c3)sc2n2c(C)cnc12 Homo sapiens CHEMBL888322 single protein format
CHEMBL199980 OBDepict Cl HN N O N N N S IC50 = 400.0 nM 518.09 O=C(c1ccc(Nc2nccc(-c3cc4ccccc4s3)n2)cc1Cl)N1CCC(N2CCCC2)CC1 Homo sapiens CHEMBL859877 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 = 420.0 nM 394.5 CCNc1nc2sc(-c3cccc([C@H](C)NC(C)=O)c3)nc2c2c1ncn2C Homo sapiens CHEMBL1646310 single protein format
CHEMBL249899 OBDepict H 3 C NH HN N N N CH 3 IC50 = 420.0 nM 305.39 CNCCNc1nc2cc3ccccc3cc2n2c(C)cnc12 Homo sapiens CHEMBL888322 single protein format
CHEMBL1642549 OBDepict H 3 C N H N N S N N CH 3 HN CH 3 O CH 3 IC50 = 430.0 nM 380.48 CNc1nc2sc(-c3cccc(C(C)NC(C)=O)c3)nc2c2c1ncn2C Homo sapiens CHEMBL1646310 single protein format
CHEMBL249482 OBDepict CH 3 N H N N N S H 3 C N H S O O NH 2 IC50 = 440.0 nM 416.53 CNc1nc2cc(-c3cccc(CCNS(N)(=O)=O)c3)sc2n2c(C)cnc12 Homo sapiens CHEMBL888322 single protein format
CHEMBL249104 OBDepict NH 2 NH N N N S H 3 C HO IC50 = 450.0 nM 353.45 Cc1cnc2c(NCCN)nc3cc(-c4cccc(CO)c4)sc3n12 Homo sapiens CHEMBL888322 single protein format
CHEMBL381041 OBDepict O N HN N N N S H 2 N CH 3 CH 3 IC50 = 500.0 nM 514.7 CC(C)(N)C#Cc1ccc(-c2ccnc(Nc3ccc(C(=O)N4CCC(N5CCCC5)CC4)cc3)n2)s1 Homo sapiens CHEMBL859877 single protein format
CHEMBL200106 OBDepict OH S N N N H N O N IC50 = 500.0 nM 505.69 O=C(c1ccc(Nc2nccc(-c3ccc(CCCCO)s3)n2)cc1)N1CCC(N2CCCC2)CC1 Homo sapiens CHEMBL859877 single protein format
CHEMBL428754 OBDepict CH 3 N H N N N S H 3 C N H O H 2 N IC50 = 510.0 nM 380.48 CNc1nc2cc(-c3cccc(CNCC(N)=O)c3)sc2n2c(C)cnc12 Homo sapiens CHEMBL888322 single protein format
CHEMBL2436978 OBDepict CH 3 N N N N H N H IC50 = 591.0 nM 421.55 CN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5ccc6[nH]ccc6c5)c4c3)cc2)CC1 Homo sapiens CHEMBL2439144 single protein format
CHEMBL80121 OBDepict CH 3 HN O N Cl N H IC50 = 600.0 nM 259.7 CC(=O)Nc1cc(Cl)cc2c3cc[nH]cc-3nc12 Homo sapiens CHEMBL694794 cell-based format
CHEMBL81169 OBDepict Br N H N IC50 = 600.0 nM 247.09 Brc1ccc2[nH]c3cnccc3c2c1 Homo sapiens CHEMBL694794 cell-based format
CHEMBL310179 OBDepict H 3 C O N H O N Cl N H IC50 = 600.0 nM 351.79 COc1cccc(C(=O)Nc2cc(Cl)cc3c4cc[nH]cc-4nc23)c1 Homo sapiens CHEMBL694794 cell-based format
CHEMBL311201 OBDepict Cl N H N IC50 = 600.0 nM 202.64 Clc1ccc2[nH]c3cnccc3c2c1 Homo sapiens CHEMBL694794 cell-based format
CHEMBL4088616 OBDepict OH N NH 2 N N N H Ki = 650.0 nM 265.28 N#Cc1c[nH]c2nc(N)nc(-c3ccc(CO)cc3)c12 Homo sapiens CHEMBL4040600 assay format
CHEMBL437586 OBDepict H 2 N S N N N H H 3 C N CH 3 IC50 = 650.0 nM 337.45 CNc1nc2cc(-c3cccc(CCN)c3)sc2n2c(C)cnc12 Homo sapiens CHEMBL888322 single protein format
CHEMBL390201 OBDepict CH 3 NH N N N H 3 C IC50 = 670.0 nM 262.32 CNc1nc2cc3ccccc3cc2c2c(C)cnn12 Homo sapiens CHEMBL907582 single protein format
CHEMBL399486 OBDepict H 3 C N H N N N S CH 3 O NH 2 IC50 = 680.0 nM 351.44 CNc1nc2cc(-c3cccc(CC(N)=O)c3)sc2n2c(C)cnc12 Homo sapiens CHEMBL888322 single protein format
CHEMBL249102 OBDepict NH 2 NH N N N S H 3 C O H 3 C IC50 = 690.0 nM 353.45 COc1cccc(-c2cc3nc(NCCN)c4ncc(C)n4c3s2)c1 Homo sapiens CHEMBL888322 single protein format
CHEMBL78862 OBDepict Cl N H N O H N IC50 = 700.0 nM 321.77 O=C(Nc1cc(Cl)cc2c1[nH]c1cnccc12)c1ccccc1 Homo sapiens CHEMBL694794 cell-based format
CHEMBL371543 OBDepict O N NH N N N S OH CH 3 CH 3 IC50 = 700.0 nM 519.72 CC(C)(O)CCc1ccc(-c2ccnc(Nc3ccc(C(=O)N4CCC(N5CCCC5)CC4)cc3)n2)s1 Homo sapiens CHEMBL859877 single protein format
CHEMBL312698 OBDepict CH 3 O HN O N Cl N H IC50 = 700.0 nM 275.69 COC(=O)Nc1cc(Cl)cc2c3cc[nH]cc-3nc12 Homo sapiens CHEMBL694794 cell-based format
CHEMBL254793 OBDepict NH 2 NH O N N HN S N IC50 = 731.0 nM 390.47 NCCC(=O)Nc1ccc(-c2ccnc(Nc3ccc4ncsc4c3)n2)cc1 Homo sapiens CHEMBL921617 single protein format
CHEMBL249279 OBDepict CH 3 N H N N N S H 3 C N H O H 3 C IC50 = 770.0 nM 365.46 CNc1nc2cc(-c3cccc(CNC(C)=O)c3)sc2n2c(C)cnc12 Homo sapiens CHEMBL888322 single protein format
CHEMBL4086169 OBDepict N N H N N H N NH 2 H H OH H HO H HO Ki = 800.0 nM 290.28 N#Cc1c[nH]c2nc(N)nc(N[C@@H]3C[C@H](O)[C@@H](O)[C@H]3O)c12 Homo sapiens CHEMBL4040600 assay format
CHEMBL249480 OBDepict CH 3 N H N N N S H 3 C N H O H 3 C IC50 = 820.0 nM 379.49 CNc1nc2cc(-c3cccc(CCNC(C)=O)c3)sc2n2c(C)cnc12 Homo sapiens CHEMBL888322 single protein format
CHEMBL504727 OBDepict CH 3 N H O S N N N HN H 3 C N CH 3 IC50 = 840.0 nM 276.33 CNC(=O)c1nc2c(nc(NC)c3ncn(C)c32)s1 Homo sapiens CHEMBL960915 single protein format
CHEMBL257805 OBDepict O S N O HN N N NH S N IC50 = 850.0 nM 452.57 O=S(=O)(c1ccc(-c2ccnc(Nc3ccc4ncsc4c3)n2)cc1)N1CCNCC1 Homo sapiens CHEMBL921617 single protein format
CHEMBL129981 OBDepict O S N O HN N N NH S N IC50 = 851.0 nM 528.66 O=S(=O)(c1ccc(-c2ccnc(Nc3ccc(-c4ccc5ncsc5c4)cc3)n2)cc1)N1CCNCC1 Homo sapiens CHEMBL698194 single protein format
CHEMBL230184 OBDepict OH NH N N N H 3 C IC50 = 870.0 nM 292.34 Cc1cnc2c(NCCO)nc3cc4ccccc4cc3n12 Homo sapiens CHEMBL907582 single protein format
CHEMBL249901 OBDepict NH 2 NH N N N S H 3 C IC50 = 910.0 nM 323.43 Cc1cnc2c(NCCN)nc3cc(-c4ccccc4)sc3n12 Homo sapiens CHEMBL888322 single protein format
CHEMBL249515 OBDepict NH 2 NH N N N S H 3 C HO IC50 = 910.0 nM 367.48 Cc1cnc2c(NCCN)nc3cc(-c4cccc(CCO)c4)sc3n12 Homo sapiens CHEMBL888322 single protein format
CHEMBL249902 OBDepict NH 2 NH N N N S H 3 C O IC50 = 940.0 nM 313.39 Cc1cnc2c(NCCN)nc3cc(-c4ccoc4)sc3n12 Homo sapiens CHEMBL888322 single protein format
CHEMBL210032 OBDepict N NH 2 N NH O CH 3 Ki = 970.0 nM 252.28 CC(=O)Nc1cc(N)c(C#N)c(-c2ccccc2)n1 Homo sapiens CHEMBL861304 single protein format
CHEMBL493745 OBDepict H 3 C N H N N N N N CH 3 IC50 = 990.0 nM 278.32 CNc1nc2cc(-c3ccccc3)nn2c2c1ncn2C Homo sapiens CHEMBL960915 single protein format
CHEMBL231036 OBDepict CH 3 N H N N N H 3 C IC50 = 990.0 nM 262.32 CNc1nc2cc3ccccc3cc2c2c1ncn2C Homo sapiens CHEMBL907582 single protein format
CHEMBL4096327 OBDepict N N H N N H N NH 2 H H OH H HO Ki = 1000.0 nM 274.28 N#Cc1c[nH]c2nc(N)nc(N[C@@H]3CC[C@@H](O)[C@H]3O)c12 Homo sapiens CHEMBL4040600 assay format
CHEMBL78917 OBDepict Cl N H N O H N N IC50 = 1000.0 nM 322.75 O=C(Nc1cc(Cl)cc2c1[nH]c1cnccc12)c1ccccn1 Homo sapiens CHEMBL694794 cell-based format
CHEMBL200462 OBDepict H 3 C O S N N N H N O N IC50 = 1000.0 nM 505.69 COCCCc1ccc(-c2ccnc(Nc3ccc(C(=O)N4CCC(N5CCCC5)CC4)cc3)n2)s1 Homo sapiens CHEMBL859877 single protein format
CHEMBL493974 OBDepict CH 3 NH N N S N N H 3 C N H S O O CH 3 IC50 = 1000.0 nM 402.51 CNc1nc2sc(-c3cccc(CNS(C)(=O)=O)c3)nc2c2c1ncn2C Homo sapiens CHEMBL960915 single protein format