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Q13233 | M3K1_HUMAN | Mitogen-activated protein kinase kinase kinase 1 (MAP3K1)

3D structures mapped by conservation among orthologs



[ 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
CHEMBL4867931 OBDepict H 3 C O N H S N O O H 2 N O HN IC50 = -39100.0 nM 464.55 COc1cc(NS(=O)(=O)C2CC2)ccc1-c1cnc(N)c(-c2ccc3c(c2)CCNC3=O)c1 Homo sapiens CHEMBL4804418 cell-based format
CHEMBL2216826 OBDepict CH 3 N H OH O O H HO H CH 3 H HO H CH 3 O IC50 = 31.0 nM 389.45 CCNc1cc(O)c2c(c1)/C=C/C[C@@H](O)[C@H](O)C(=O)/C=C[C@H](C)[C@H](C)OC2=O Homo sapiens CHEMBL2217253 single protein format
CHEMBL1097700 OBDepict CH 3 N H OH O O H HO H CH 3 H HO H CH 3 O IC50 = 46.0 nM 375.42 CNc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C=C[C@@H](C)[C@H](C)OC2=O Homo sapiens CHEMBL3880860 single protein format
CHEMBL3577124 OBDepict CH 3 N H N N N H 3 C CH 3 NH F N H O H 3 C CH 3 H 3 C IC50 = 98.0 nM 424.52 CNc1ncc2cc(-c3cc(NC(=O)NCCC(C)(C)C)c(F)cc3C)c(C)nc2n1 Homo sapiens CHEMBL3578503 cell-based format
CHEMBL388978 OBDepict CH 3 HN H H O H O N H 3 C H 3 C N O N H IC50 = 485.0 nM 466.54 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL4328491 single protein format