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Q9Y6K0 | CEPT1_HUMAN | Choline/ethanolaminephosphotransferase 1 (CEPT1)

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
CHEMBL593709 OBDepict N N O HO CH 3 CH 3 N H O O CH 3 IC50 = 28.0 nM 441.49 Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3cc(C#N)cc(C(C)(C)O)c3o2)cc1 Homo sapiens CHEMBL1070006 single protein format
CHEMBL596491 OBDepict CH 3 HO H 3 C O N N N H O O CH 3 IC50 = 31.0 nM 455.51 CCC(C)(O)c1cc(C#N)cc2nc(-c3ccc(NC(=O)COc4ccccc4C)cc3)oc12 Homo sapiens CHEMBL1070006 single protein format
CHEMBL595357 OBDepict O N H O CH 3 N O Br OH H 3 C H 3 C IC50 = 44.0 nM 495.37 Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3cc(Br)cc(C(C)(C)O)c3o2)cc1 Homo sapiens CHEMBL1070006 single protein format
CHEMBL595352 OBDepict N N HO CH 3 O N H O O CH 3 IC50 = 46.0 nM 427.46 Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3cc(C#N)cc(C(C)O)c3o2)cc1 Homo sapiens CHEMBL1070006 single protein format
CHEMBL596476 OBDepict CH 3 HO H 3 C O N N N H O O CH 3 IC50 = 58.0 nM 469.54 CCCC(C)(O)c1cc(C#N)cc2nc(-c3ccc(NC(=O)COc4ccccc4C)cc3)oc12 Homo sapiens CHEMBL1070006 single protein format
CHEMBL596490 OBDepict O N H O CH 3 N O Br OH H 3 C IC50 = 59.0 nM 481.35 Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3cc(Br)cc(C(C)O)c3o2)cc1 Homo sapiens CHEMBL1070006 single protein format
CHEMBL596130 OBDepict N H 3 C N O N H O O CH 3 IC50 = 60.0 nM 397.43 Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3cc(C#N)cc(C)c3o2)cc1 Homo sapiens CHEMBL1070006 single protein format
CHEMBL606349 OBDepict N F N O N H O O CH 3 IC50 = 62.0 nM 401.4 Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3cc(C#N)cc(F)c3o2)cc1 Homo sapiens CHEMBL1070006 single protein format
CHEMBL594868 OBDepict N N O OH CH 3 H 3 C CH 3 N H O O CH 3 IC50 = 80.0 nM 469.54 Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3cc(C#N)cc(C(C)(O)C(C)C)c3o2)cc1 Homo sapiens CHEMBL1070006 single protein format
CHEMBL595359 OBDepict N N O O H 3 C N H O O CH 3 IC50 = 86.0 nM 425.44 CC(=O)c1cc(C#N)cc2nc(-c3ccc(NC(=O)COc4ccccc4C)cc3)oc12 Homo sapiens CHEMBL1070006 single protein format
CHEMBL593247 OBDepict CH HO H 3 C O Br N N H O O CH 3 IC50 = 94.0 nM 505.37 C#CC(C)(O)c1cc(Br)cc2nc(-c3ccc(NC(=O)COc4ccccc4C)cc3)oc12 Homo sapiens CHEMBL1070006 single protein format
CHEMBL606696 OBDepict CH 3 HO H 3 C O Br N N H O O CH 3 IC50 = 110.0 nM 509.4 CCC(C)(O)c1cc(Br)cc2nc(-c3ccc(NC(=O)COc4ccccc4C)cc3)oc12 Homo sapiens CHEMBL1070006 single protein format
CHEMBL260546 OBDepict N N O N H O O CH 3 IC50 = 130.0 nM 383.41 Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3cc(C#N)ccc3o2)cc1 Homo sapiens CHEMBL1070006 single protein format
CHEMBL592998 OBDepict CH 3 HO H 3 C O N N N H O O CH 3 IC50 = 160.0 nM 465.51 CC#CC(C)(O)c1cc(C#N)cc2nc(-c3ccc(NC(=O)COc4ccccc4C)cc3)oc12 Homo sapiens CHEMBL1070006 single protein format
CHEMBL594183 OBDepict CH 3 HO H 3 C O Br N N H O O CH 3 IC50 = 200.0 nM 523.43 CCCC(C)(O)c1cc(Br)cc2nc(-c3ccc(NC(=O)COc4ccccc4C)cc3)oc12 Homo sapiens CHEMBL1070006 single protein format
CHEMBL593246 OBDepict O N H O CH 3 N O Br HO H 3 C CH 3 H 3 C IC50 = 210.0 nM 523.43 Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3cc(Br)cc(C(C)(O)C(C)C)c3o2)cc1 Homo sapiens CHEMBL1070006 single protein format
CHEMBL595358 OBDepict CH 3 HO H 3 C O Br N N H O O CH 3 IC50 = 210.0 nM 519.4 CC#CC(C)(O)c1cc(Br)cc2nc(-c3ccc(NC(=O)COc4ccccc4C)cc3)oc12 Homo sapiens CHEMBL1070006 single protein format
CHEMBL594978 OBDepict N O N N N H O O CH 3 IC50 = 270.0 nM 408.42 Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3cc(C#N)cc(C#N)c3o2)cc1 Homo sapiens CHEMBL1070006 single protein format
CHEMBL593007 OBDepict O N H O CH 3 N O Br O CH 3 IC50 = 380.0 nM 479.33 CC(=O)c1cc(Br)cc2nc(-c3ccc(NC(=O)COc4ccccc4C)cc3)oc12 Homo sapiens CHEMBL1070006 single protein format
CHEMBL596131 OBDepict N O N N H O O CH 3 IC50 = 410.0 nM 383.41 Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3ccc(C#N)cc3o2)cc1 Homo sapiens CHEMBL1070006 single protein format
CHEMBL593966 OBDepict O N H O CH 3 N O OH H 3 C H 3 C IC50 = 440.0 nM 416.48 Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3cccc(C(C)(C)O)c3o2)cc1 Homo sapiens CHEMBL1070006 single protein format
CHEMBL606983 OBDepict O N H O CH 3 O N H 3 C Br IC50 = 510.0 nM 451.32 Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3cc(Br)cc(C)c3o2)cc1 Homo sapiens CHEMBL1070006 single protein format
CHEMBL407147 OBDepict O N H O CH 3 N O + N Cl O _ O IC50 = 570.0 nM 437.84 Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3cc(Cl)cc([N+](=O)[O-])c3o2)cc1 Homo sapiens CHEMBL1070006 single protein format
CHEMBL411258 OBDepict CH 3 O N O N H O O CH 3 IC50 = 840.0 nM 388.42 COc1ccc2oc(-c3ccc(NC(=O)COc4ccccc4C)cc3)nc2c1 Homo sapiens CHEMBL1070006 single protein format
CHEMBL594182 OBDepict O N H O CH 3 N O F Br IC50 = 910.0 nM 455.28 Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3cc(Br)cc(F)c3o2)cc1 Homo sapiens CHEMBL1070006 single protein format
CHEMBL261273 OBDepict O N H O H 3 C N O + N O _ O IC50 = 940.0 nM 403.39 Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3cc([N+](=O)[O-])ccc3o2)cc1 Homo sapiens CHEMBL1070006 single protein format