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Q96Q15 | SMG1_HUMAN | Serine/threonine-protein kinase SMG1 (SMG1)

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
CHEMBL2158858 OBDepict CH 3 N H N H O N N N N H S O O NH 2 IC50 < 0.05 nM 475.53 CNC(=O)Nc1ccc(-c2cc(-c3ccnc(Nc4cccc(S(N)(=O)=O)c4)n3)ccn2)cc1 Homo sapiens CHEMBL2161543 cell-based format
CHEMBL2158861 OBDepict CH 3 N H N H O N N N N H S H 3 C N O O CH 3 H 3 C IC50 < 0.05 nM 517.62 CNC(=O)Nc1ccc(-c2cc(-c3ccnc(Nc4ccc(C)c(S(=O)(=O)N(C)C)c4)n3)ccn2)cc1 Homo sapiens CHEMBL2161543 cell-based format
CHEMBL2158862 OBDepict CH 3 N H N H O N N N N H S H 3 C NH O O H 3 C IC50 < 0.05 nM 503.59 CNC(=O)Nc1ccc(-c2cc(-c3ccnc(Nc4ccc(C)c(S(=O)(=O)NC)c4)n3)ccn2)cc1 Homo sapiens CHEMBL2161543 cell-based format
CHEMBL2158864 OBDepict CH 3 N H N H O N N N N H S Cl NH O O H 3 C IC50 < 0.05 nM 524.01 CNC(=O)Nc1ccc(-c2cc(-c3ccnc(Nc4ccc(Cl)c(S(=O)(=O)NC)c4)n3)ccn2)cc1 Homo sapiens CHEMBL2161543 cell-based format
CHEMBL2158865 OBDepict CH 3 N H N H O N N N N H S Cl N O O CH 3 H 3 C IC50 < 0.05 nM 538.03 CNC(=O)Nc1ccc(-c2cc(-c3ccnc(Nc4ccc(Cl)c(S(=O)(=O)N(C)C)c4)n3)ccn2)cc1 Homo sapiens CHEMBL2161543 cell-based format
CHEMBL2158860 OBDepict CH 3 N H N H O N N N N H S H 3 C O O NH 2 IC50 < 0.05 nM 489.56 CNC(=O)Nc1ccc(-c2cc(-c3ccnc(Nc4ccc(C)c(S(N)(=O)=O)c4)n3)ccn2)cc1 Homo sapiens CHEMBL2161543 cell-based format
CHEMBL2158859 OBDepict CH 3 N H N H O N N N N H S NH O O H 3 C IC50 = 0.1 nM 489.56 CNC(=O)Nc1ccc(-c2cc(-c3ccnc(Nc4cccc(S(=O)(=O)NC)c4)n3)ccn2)cc1 Homo sapiens CHEMBL2161543 cell-based format
CHEMBL2158866 OBDepict CH 3 HN HN O N N N HN S Cl N O O H 3 C H 3 C IC50 = 0.11 nM 566.09 CCN(CC)S(=O)(=O)c1cc(Nc2nccc(-c3ccnc(-c4ccc(NC(=O)NC)cc4)c3)n2)ccc1Cl Homo sapiens CHEMBL2161543 cell-based format
CHEMBL2158011 OBDepict CH 3 NH NH O N N N NH S N O O H 3 C H 3 C IC50 = 0.2 nM 531.64 CCN(CC)S(=O)(=O)c1cccc(Nc2nccc(-c3ccnc(-c4ccc(NC(=O)NC)cc4)c3)n2)c1 Homo sapiens CHEMBL2161543 cell-based format
CHEMBL2158863 OBDepict CH 3 HN HN O N N N HN S CH 3 N O O H 3 C H 3 C IC50 = 0.2 nM 545.67 CCN(CC)S(=O)(=O)c1cc(Nc2nccc(-c3ccnc(-c4ccc(NC(=O)NC)cc4)c3)n2)ccc1C Homo sapiens CHEMBL2161543 cell-based format
CHEMBL2158853 OBDepict CH 3 N N H 3 C N N N H S O O NH 2 IC50 = 3.0 nM 398.49 CCN(CC)c1cc(-c2ccnc(Nc3cccc(S(N)(=O)=O)c3)n2)ccn1 Homo sapiens CHEMBL2161543 cell-based format
CHEMBL2158857 OBDepict NH 2 S O O NH N N N N IC50 = 3.0 nM 410.5 NS(=O)(=O)c1cccc(Nc2nccc(-c3ccnc(N4CCCCC4)c3)n2)c1 Homo sapiens CHEMBL2161543 cell-based format
CHEMBL2158855 OBDepict NH 2 S O O N H N N N N O IC50 = 6.0 nM 438.51 NS(=O)(=O)c1cccc(Nc2nccc(-c3ccnc(N4CC5CCC(C4)O5)c3)n2)c1 Homo sapiens CHEMBL2161543 cell-based format
CHEMBL2158845 OBDepict NH 2 S O O NH N N N N O IC50 = 11.0 nM 412.48 NS(=O)(=O)c1cccc(Nc2nccc(-c3ccnc(N4CCOCC4)c3)n2)c1 Homo sapiens CHEMBL2161543 cell-based format
CHEMBL2158843 OBDepict OH N H N N N N H S O O NH 2 IC50 = 22.0 nM 400.46 NS(=O)(=O)c1cccc(Nc2nccc(-c3ccnc(NCCCO)c3)n2)c1 Homo sapiens CHEMBL2161543 cell-based format
CHEMBL2158854 OBDepict H 2 N S O O NH N N N N O IC50 = 25.0 nM 438.51 NS(=O)(=O)c1cccc(Nc2nccc(-c3ccnc(N4C5CCC4COC5)c3)n2)c1 Homo sapiens CHEMBL2161543 cell-based format
CHEMBL2158851 OBDepict N HN N N N N O IC50 = 80.0 nM 358.41 N#Cc1cccc(Nc2nccc(-c3ccnc(N4CCOCC4)c3)n2)c1 Homo sapiens CHEMBL2161543 cell-based format
CHEMBL300389 OBDepict HO NH N N N HN Cl IC50 = 110.0 nM 355.83 OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1 Homo sapiens CHEMBL2161543 cell-based format
CHEMBL2158849 OBDepict F F F HN N N N N O IC50 = 250.0 nM 401.39 FC(F)(F)c1cccc(Nc2nccc(-c3ccnc(N4CCOCC4)c3)n2)c1 Homo sapiens CHEMBL2161543 cell-based format
CHEMBL2158844 OBDepict Cl HN N N N N O IC50 = 280.0 nM 367.84 Clc1cccc(Nc2nccc(-c3ccnc(N4CCOCC4)c3)n2)c1 Homo sapiens CHEMBL2161543 cell-based format
CHEMBL2158856 OBDepict CH 3 N N N N N N H S O O NH 2 IC50 = 310.0 nM 425.52 CN1CCN(c2cc(-c3ccnc(Nc4cccc(S(N)(=O)=O)c4)n3)ccn2)CC1 Homo sapiens CHEMBL2161543 cell-based format
CHEMBL2158848 OBDepict CH 3 HN N N N N O IC50 = 330.0 nM 347.42 Cc1cccc(Nc2nccc(-c3ccnc(N4CCOCC4)c3)n2)c1 Homo sapiens CHEMBL2161543 cell-based format
CHEMBL2158847 OBDepict NH 2 S O O N H N N N N O IC50 = 370.0 nM 412.48 NS(=O)(=O)c1ccc(Nc2nccc(-c3ccnc(N4CCOCC4)c3)n2)cc1 Homo sapiens CHEMBL2161543 cell-based format
CHEMBL2158842 OBDepict O N N N N H S O O NH 2 IC50 = 450.0 nM 437.53 NS(=O)(=O)c1ccc(Nc2nccc(-c3cccc(C(=O)N4CCCCC4)c3)n2)cc1 Homo sapiens CHEMBL2161543 cell-based format
CHEMBL2158846 OBDepict Cl HN N N N N O IC50 = 1000.0 nM 367.84 Clc1ccc(Nc2nccc(-c3ccnc(N4CCOCC4)c3)n2)cc1 Homo sapiens CHEMBL2161543 cell-based format