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Q9NYV4 | CDK12_HUMAN | Cyclin-dependent kinase 12 (CDK12)

3D structures mapped by conservation among orthologs

[ Domain: "Protein kinase" // Pkinase_Tyr ]

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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
CHEMBL4777061 OBDepict N N N N H O N N H IC50 = 4.0 nM 348.41 N#CN1CC=C(c2ccc(CC(=O)Nc3cc(C4CC4)[nH]n3)cn2)CC1 Homo sapiens CHEMBL4742550 single protein format
CHEMBL4799386 OBDepict N N N HN O N N H IC50 = 6.0 nM 348.41 N#CN1CCC=C(c2ccc(CC(=O)Nc3cc(C4CC4)[nH]n3)cn2)C1 Homo sapiens CHEMBL4742550 single protein format
CHEMBL4792293 OBDepict CH 2 N O F H 3 C N H O N N H IC50 = 9.0 nM 408.48 C=CC(=O)N1CC=C(c2ccc(C(C)C(=O)Nc3cc(C4CC4)[nH]n3)cc2F)CC1 Homo sapiens CHEMBL4742550 single protein format
CHEMBL4797074 OBDepict H 2 C N O N NH O N N H IC50 = 10.0 nM 363.42 C=CC(=O)N1CC=C(c2ccc(CC(=O)Nc3cc(C4CC4)[nH]n3)cn2)C1 Homo sapiens CHEMBL4742550 single protein format
CHEMBL4784107 OBDepict CH N O N NH O N N H IC50 = 12.0 nM 361.41 C#CC(=O)N1CC=C(c2ccc(CC(=O)Nc3cc(C4CC4)[nH]n3)cn2)C1 Homo sapiens CHEMBL4742550 single protein format
CHEMBL4852083 OBDepict CH 3 N N N N N N N N H O N N H F F IC50 = 14.0 nM 466.46 Cn1cc(-n2cnc3c(NCc4nc5c(F)c(F)ccc5[nH]4)nc(N4CCOCC4)nc32)cn1 Homo sapiens CHEMBL4806301 single protein format
CHEMBL4783704 OBDepict CH 2 N O F CH 3 HN O N N H IC50 = 14.0 nM 408.48 C=CC(=O)N1CCC=C(c2ccc(C(C)C(=O)Nc3cc(C4CC4)[nH]n3)cc2F)C1 Homo sapiens CHEMBL4742550 single protein format
CHEMBL4847754 OBDepict CH 3 O N N N N N N N H O N N H F F IC50 = 22.0 nM 467.44 Cc1cc(-n2cnc3c(NCc4nc5c(F)c(F)ccc5[nH]4)nc(N4CCOCC4)nc32)no1 Homo sapiens CHEMBL4806301 single protein format
CHEMBL4211454 OBDepict F N N N N N N H O N N H F F IC50 = 23.0 nM 480.45 Fc1cccc(-n2cnc3c(NCc4nc5c(F)c(F)ccc5[nH]4)nc(N4CCOCC4)nc32)c1 Homo sapiens CHEMBL4806301 single protein format
CHEMBL4791883 OBDepict CH 2 N O N HN O N N H IC50 = 23.0 nM 377.45 C=CC(=O)N1CCC=C(c2ccc(CC(=O)Nc3cc(C4CC4)[nH]n3)cn2)C1 Homo sapiens CHEMBL4742550 single protein format
CHEMBL4781207 OBDepict CH 2 N O N CH 3 HN O N N H IC50 = 30.0 nM 391.48 C=CC(=O)N1CCC=C(c2ccc(C(C)C(=O)Nc3cc(C4CC4)[nH]n3)cn2)C1 Homo sapiens CHEMBL4742550 single protein format
CHEMBL4778676 OBDepict H 2 C N O N H 3 C NH O N N H IC50 = 34.0 nM 377.45 C=CC(=O)N1CC=C(c2ccc(C(C)C(=O)Nc3cc(C4CC4)[nH]n3)cn2)C1 Homo sapiens CHEMBL4742550 single protein format
CHEMBL4786926 OBDepict CH 3 N O N NH O N N H IC50 = 37.0 nM 389.46 CC#CC(=O)N1CCC=C(c2ccc(CC(=O)Nc3cc(C4CC4)[nH]n3)cn2)C1 Homo sapiens CHEMBL4742550 single protein format
CHEMBL4791767 OBDepict CH 2 N O N N H O N N H IC50 = 40.0 nM 377.45 C=CC(=O)N1CC=C(c2ccc(CC(=O)Nc3cc(C4CC4)[nH]n3)cn2)CC1 Homo sapiens CHEMBL4742550 single protein format
CHEMBL4778572 OBDepict CH 3 N H O N N N H N O CH 2 IC50 = 41.0 nM 405.5 C=CC(=O)N1CCC=C(c2ccc(C(CC)C(=O)Nc3cc(C4CC4)[nH]n3)cn2)C1 Homo sapiens CHEMBL4742550 single protein format
CHEMBL4794547 OBDepict CH N O N HN O N N H IC50 = 49.0 nM 375.43 C#CC(=O)N1CCC=C(c2ccc(CC(=O)Nc3cc(C4CC4)[nH]n3)cn2)C1 Homo sapiens CHEMBL4742550 single protein format
CHEMBL4776295 OBDepict CH 2 N O N H 3 C N H O N N H IC50 = 55.0 nM 379.46 C=CC(=O)N1CCC(c2ccc(C(C)C(=O)Nc3cc(C4CC4)[nH]n3)cn2)C1 Homo sapiens CHEMBL4742550 single protein format
CHEMBL4790705 OBDepict CH 2 N O N H 3 C N H O N N H IC50 = 58.0 nM 393.49 C=CC(=O)N1CCC(c2ccc(C(C)C(=O)Nc3cc(C4CC4)[nH]n3)cn2)CC1 Homo sapiens CHEMBL4742550 single protein format
CHEMBL4777358 OBDepict CH 2 N O H 3 C H N H O N N H IC50 = 60.0 nM 390.49 C=CC(=O)N1CC=C(c2ccc([C@H](C)C(=O)Nc3cc(C4CC4)[nH]n3)cc2)CC1 Homo sapiens CHEMBL4742550 single protein format
CHEMBL4778361 OBDepict CH 2 N O N H 3 C N H O N N H IC50 = 72.0 nM 391.48 C=CC(=O)N1CC=C(c2ccc(C(C)C(=O)Nc3cc(C4CC4)[nH]n3)cn2)CC1 Homo sapiens CHEMBL4742550 single protein format
CHEMBL4778214 OBDepict CH 2 N O H 3 C N H O N N H IC50 = 84.0 nM 390.49 C=CC(=O)N1CC=C(c2ccc(C(C)C(=O)Nc3cc(C4CC4)[nH]n3)cc2)CC1 Homo sapiens CHEMBL4742550 single protein format
CHEMBL4784925 OBDepict CH 3 N O N HN O N N H IC50 = 94.0 nM 391.48 C/C=C/C(=O)N1CCC=C(c2ccc(CC(=O)Nc3cc(C4CC4)[nH]n3)cn2)C1 Homo sapiens CHEMBL4742550 single protein format
CHEMBL4877117 OBDepict H 3 C N N N N N N N N H O N N H Cl Cl IC50 = 98.0 nM 499.37 Cn1cc(-n2cnc3c(NCc4nc5cc(Cl)c(Cl)cc5[nH]4)nc(N4CCOCC4)nc32)cn1 Homo sapiens CHEMBL4806301 single protein format
CHEMBL4781396 OBDepict CH 2 N O N N H 3 C N H O N N H IC50 = 99.0 nM 394.48 C=CC(=O)N1CCN(c2ccc(C(C)C(=O)Nc3cc(C4CC4)[nH]n3)cn2)CC1 Homo sapiens CHEMBL4742550 single protein format
CHEMBL4799777 OBDepict O N H N N N H N O CH 2 CH 3 IC50 = 140.0 nM 391.48 C=C(C)C(=O)N1CCC=C(c2ccc(CC(=O)Nc3cc(C4CC4)[nH]n3)cn2)C1 Homo sapiens CHEMBL4742550 single protein format
CHEMBL4800122 OBDepict CH 2 N O H 3 C H N H O N N H IC50 = 151.0 nM 392.5 C=CC(=O)N1CCC(c2ccc([C@H](C)C(=O)Nc3cc(C4CC4)[nH]n3)cc2)CC1 Homo sapiens CHEMBL4742550 single protein format
CHEMBL4648857 OBDepict H 3 C N CH 3 NH O N O H N H N N Cl N H IC50 = 158.0 nM 558.09 CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N2CCC[C@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1 Homo sapiens CHEMBL4613418 single protein format
CHEMBL4792842 OBDepict H 2 C N O N H O H 3 C CH 3 N N H IC50 = 160.0 nM 418.54 C=CC(=O)N1CCC=C(c2ccc(C(C(=O)Nc3cc(C4CC4)[nH]n3)C(C)C)cc2)C1 Homo sapiens CHEMBL4742550 single protein format
CHEMBL4798660 OBDepict O N H N N N H N O H 3 C CH 3 IC50 = 178.0 nM 405.5 CC(C)=CC(=O)N1CCC=C(c2ccc(CC(=O)Nc3cc(C4CC4)[nH]n3)cn2)C1 Homo sapiens CHEMBL4742550 single protein format
CHEMBL4793480 OBDepict H 2 C N O N N H O H 3 C CH 3 N N H IC50 = 178.0 nM 419.53 C=CC(=O)N1CCC=C(c2ccc(C(C(=O)Nc3cc(C4CC4)[nH]n3)C(C)C)cn2)C1 Homo sapiens CHEMBL4742550 single protein format
CHEMBL4788447 OBDepict CH 2 N O CH 3 H HN O N N H IC50 = 189.0 nM 390.49 C=CC(=O)N1CCC=C(c2ccc([C@H](C)C(=O)Nc3cc(C4CC4)[nH]n3)cc2)C1 Homo sapiens CHEMBL4742550 single protein format
CHEMBL4160662 OBDepict N N N H H H N HN O N H 3 C O IC50 = 195.0 nM 532.65 Cn1cc(-c2ccc(N(C(=O)NCc3ccccc3)[C@H]3CC[C@H](Nc4ccc(C#N)cn4)CC3)cc2)ccc1=O Homo sapiens CHEMBL4151504 cell-based format
CHEMBL4782687 OBDepict CH 3 N O N H 3 C N H O N N H IC50 = 203.0 nM 403.49 CC#CC(=O)N1CC=C(c2ccc(C(C)C(=O)Nc3cc(C4CC4)[nH]n3)cn2)CC1 Homo sapiens CHEMBL4742550 single protein format
CHEMBL4582951 OBDepict H 3 C N H 3 C N H O N N H O CH 3 H HN N N Cl N H IC50 = 204.0 nM 587.13 CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)nc1 Homo sapiens CHEMBL4611865 single protein format
CHEMBL4794718 OBDepict CH 3 N O N H 3 C NH O N N H IC50 = 227.0 nM 403.49 CC#CC(=O)N1CCC=C(c2ccc(C(C)C(=O)Nc3cc(C4CC4)[nH]n3)cn2)C1 Homo sapiens CHEMBL4742550 single protein format
CHEMBL4787409 OBDepict H 3 C N CH 3 N O CH 3 H N H O N N H IC50 = 235.0 nM 447.58 C[C@H](C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(C2=CCN(C(=O)/C=C/CN(C)C)CC2)cc1 Homo sapiens CHEMBL4742550 single protein format
CHEMBL4786663 OBDepict CH 2 NH O N H 3 C N H O N N H IC50 = 235.0 nM 407.52 C=CC(=O)NC1CCN(c2ccc(C(C)C(=O)Nc3cc(C4CC4)[nH]n3)cc2)CC1 Homo sapiens CHEMBL4742550 single protein format
CHEMBL4779633 OBDepict CH 2 N O H 3 C N H O N N H IC50 = 240.0 nM 404.51 C=CC(=O)N1CCC=C(c2ccc(C(C)C(=O)Nc3cc(C4CC4)[nH]n3)cc2)CC1 Homo sapiens CHEMBL4742550 single protein format
CHEMBL4162128 OBDepict H 3 C CH 3 O O H O H OH H N H HO N N H 2 N Br O H 2 N IC50 = 259.0 nM 458.27 CC(C)C(=O)OC[C@@H]1O[C@@H](n2cnc(N)c3c(C(N)=O)c(Br)nc2-3)[C@@H](O)[C@@H]1O Homo sapiens CHEMBL4151504 cell-based format
CHEMBL4780788 OBDepict CH 2 N O N CH 3 N H O N N H IC50 = 354.0 nM 393.49 C=CC(=O)N1CCCC(c2ccc(C(C)C(=O)Nc3cc(C4CC4)[nH]n3)cn2)C1 Homo sapiens CHEMBL4742550 single protein format
CHEMBL4800324 OBDepict CH 2 NH O H 3 C N H O N N H IC50 = 380.0 nM 404.51 C=CC(=O)NC1CC=C(c2ccc(C(C)C(=O)Nc3cc(C4CC4)[nH]n3)cc2)CC1 Homo sapiens CHEMBL4742550 single protein format
CHEMBL4781668 OBDepict CH 2 N O N H 3 C H N H O N N H IC50 = 590.0 nM 393.49 C=CC(=O)N1CCN(c2ccc([C@H](C)C(=O)Nc3cc(C4CC4)[nH]n3)cc2)CC1 Homo sapiens CHEMBL4742550 single protein format
CHEMBL4788085 OBDepict O NH CH 3 H N N H N O N O IC50 = 646.0 nM 489.62 C[C@H](C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(C2=CCN(C(=O)/C=C/CN3CCOCC3)CC2)cc1 Homo sapiens CHEMBL4742550 single protein format
CHEMBL4779066 OBDepict CH 2 NH O H 3 C N H O N H N IC50 = 740.0 nM 406.53 C=CC(=O)NC1CCC(c2ccc(C(C)C(=O)Nc3cc(C4CC4)n[nH]3)cc2)CC1 Homo sapiens CHEMBL4742550 single protein format
CHEMBL3603847 OBDepict H 3 C N CH 3 NH O HN O N H N N Cl N H IC50 = 893.0 nM 566.07 CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)c2)cc1 Homo sapiens CHEMBL4611865 single protein format
CHEMBL4785443 OBDepict CH 3 N CH 3 N O H 3 C H HN O N N H IC50 = 895.0 nM 475.64 CCN(CC)C/C=C/C(=O)N1CC=C(c2ccc([C@H](C)C(=O)Nc3cc(C4CC4)[nH]n3)cc2)CC1 Homo sapiens CHEMBL4742550 single protein format