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Q8IW41 | MAPK5_HUMAN | MAP kinase-activated protein kinase 5 (MAPKAPK5)

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
CHEMBL461139 OBDepict H N N N O N H N O IC50 = 24.0 nM 413.48 O=c1[nH]cnc2[nH]c(-c3ccnc(/C=C/c4ccc(CN5CCOCC5)cc4)c3)cc12 Homo sapiens CHEMBL955796 single protein format
CHEMBL461140 OBDepict CH 3 N CH 3 O N N H N O N H IC50 = 28.0 nM 401.47 CN(C)CCOc1ccc(/C=C/c2cc(-c3cc4c(=O)[nH]cnc4[nH]3)ccn2)cc1 Homo sapiens CHEMBL955796 single protein format
CHEMBL226403 OBDepict O N H N H N N IC50 = 81.0 nM 340.39 O=C1NCCc2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)c3)cc21 Homo sapiens CHEMBL904791 single protein format
CHEMBL1956685 OBDepict NH 2 O O N N N N H N O IC50 = 88.0 nM 404.43 NC(=O)c1cc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)co1 Homo sapiens CHEMBL1960722 single protein format
CHEMBL388566 OBDepict O N H N H N IC50 = 140.0 nM 289.34 O=C1NCCc2[nH]c(-c3ccnc(-c4ccccc4)c3)cc21 Homo sapiens CHEMBL904791 single protein format
CHEMBL1956684 OBDepict H 2 N O O N N N N H N O IC50 = 148.0 nM 404.43 NC(=O)c1coc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)c1 Homo sapiens CHEMBL1960722 single protein format
CHEMBL1956682 OBDepict O HN N N N N N H N O IC50 = 195.0 nM 427.47 O=C1NCc2cc(-c3cnc(Nc4ccc(N5CCOCC5)cc4)c4ncnn34)ccc21 Homo sapiens CHEMBL1960722 single protein format
CHEMBL226471 OBDepict F N N H O HN IC50 = 210.0 nM 307.33 O=C1NCCc2[nH]c(-c3ccnc(-c4ccccc4F)c3)cc21 Homo sapiens CHEMBL904791 single protein format
CHEMBL1956574 OBDepict O HN N N N N H N O IC50 = 239.0 nM 426.48 O=C1NCc2cc(-c3cnc(Nc4ccc(N5CCOCC5)cc4)c4nccn34)ccc21 Homo sapiens CHEMBL1960722 single protein format
CHEMBL1956686 OBDepict CH 3 N N N H N N N N O H IC50 = 290.0 nM 401.47 CN1CCN(c2ccc(Nc3ncc(-c4cc[nH]c(=O)c4)n4ccnc34)cc2)CC1 Homo sapiens CHEMBL1960722 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 = 295.0 nM 466.54 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL4328482 single protein format
CHEMBL1956567 OBDepict O N H N N N N H N O IC50 = 390.0 nM 388.43 O=c1cc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)cc[nH]1 Homo sapiens CHEMBL1960722 single protein format
CHEMBL1956570 OBDepict H 2 N O S N N N N H N O IC50 = 392.0 nM 420.5 NC(=O)c1ccc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)s1 Homo sapiens CHEMBL1960721 assay format
CHEMBL1956573 OBDepict NH 2 O S N N N N H N O IC50 = 437.0 nM 420.5 NC(=O)c1cc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)cs1 Homo sapiens CHEMBL1960722 single protein format
CHEMBL225519 OBDepict O NH N H N IC50 = 500.0 nM 213.24 O=C1NCCc2[nH]c(-c3ccncc3)cc21 Homo sapiens CHEMBL904791 single protein format
CHEMBL2012519 OBDepict CH 3 O OH O O H HO H CH 3 H HO O IC50 = 640.0 nM 364.39 COc1cc(O)c2c(c1)CCC[C@H](O)[C@H](O)C(=O)/C=CC[C@H](C)OC2=O Homo sapiens CHEMBL1656377 single protein format
CHEMBL1956687 OBDepict H N N N N N N N H N O IC50 = 816.0 nM 362.4 c1nc2c(Nc3ccc(N4CCOCC4)cc3)ncc(-c3cn[nH]c3)n2n1 Homo sapiens CHEMBL1960722 single protein format
CHEMBL1956561 OBDepict H N N N N N N H N O IC50 = 829.0 nM 361.41 c1cn2c(-c3cn[nH]c3)cnc(Nc3ccc(N4CCOCC4)cc3)c2n1 Homo sapiens CHEMBL1960722 single protein format
CHEMBL1956564 OBDepict NH 2 O N N N N H N O IC50 = 914.0 nM 414.47 NC(=O)c1ccc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)cc1 Homo sapiens CHEMBL1960721 assay format
CHEMBL297453 OBDepict HO OH O H H O O OH HO OH OH OH OH IC50 = 1000.0 nM 458.38 O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1 Homo sapiens CHEMBL4266645 single protein format