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P16152 | CBR1_HUMAN | Carbonyl reductase [NADPH] 1 (CBR1)

3D structures mapped by conservation among orthologs

[ Domain: "NAD(P)-binding Rossmann-fold domains" // adh_short_C2_1 ]

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[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL4640248 OBDepict Cl N H O NH O HO IC50 = 34.0 nM 314.73 N=c1oc2c(O)cccc2cc1C(=O)Nc1ccccc1Cl Homo sapiens CHEMBL4622626 single protein format
CHEMBL453375 OBDepict HO OH O O H CH 3 H CH 3 O Ki = 40.0 nM 332.4 C[C@H]1CCCC(=O)[C@@H](C)CC/C=C/c2cc(O)cc(O)c2C(=O)O1 Homo sapiens CHEMBL1004505 assay format
CHEMBL849 OBDepict Cl OH O Cl Cl Ki = 60.0 nM 289.55 Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl Homo sapiens CHEMBL1004505 assay format
CHEMBL4640154 OBDepict O N H NH O F F F OH IC50 = 75.0 nM 348.28 N=c1oc2c(O)cccc2cc1C(=O)Nc1ccccc1C(F)(F)F Homo sapiens CHEMBL4622626 single protein format
CHEMBL117 OBDepict OH OH O O Ki = 110.0 nM 254.24 O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12 Homo sapiens CHEMBL1004505 assay format
CHEMBL4639417 OBDepict Cl N H O NH O HO IC50 = 120.0 nM 314.73 N=c1oc2c(O)cccc2cc1C(=O)Nc1cccc(Cl)c1 Homo sapiens CHEMBL4622626 single protein format
CHEMBL453375 OBDepict HO OH O O H CH 3 H CH 3 O IC50 = 210.0 nM 332.4 C[C@H]1CCCC(=O)[C@@H](C)CC/C=C/c2cc(O)cc(O)c2C(=O)O1 Homo sapiens CHEMBL1004505 assay format
CHEMBL4646593 OBDepict CH 3 N H O NH O OH IC50 = 250.0 nM 308.34 CCc1cccc(NC(=O)c2cc3cccc(O)c3oc2=N)c1 Homo sapiens CHEMBL4622626 single protein format
CHEMBL4648793 OBDepict CH 3 N H O NH O OH IC50 = 270.0 nM 294.31 Cc1ccc(NC(=O)c2cc3cccc(O)c3oc2=N)cc1 Homo sapiens CHEMBL4622626 single protein format
CHEMBL4634960 OBDepict F N H O NH O HO IC50 = 370.0 nM 298.27 N=c1oc2c(O)cccc2cc1C(=O)Nc1cccc(F)c1 Homo sapiens CHEMBL4622626 single protein format
CHEMBL849 OBDepict Cl OH O Cl Cl IC50 = 400.0 nM 289.55 Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl Homo sapiens CHEMBL1004505 assay format
CHEMBL4644092 OBDepict F N H O NH O HO IC50 = 440.0 nM 298.27 N=c1oc2c(O)cccc2cc1C(=O)Nc1ccc(F)cc1 Homo sapiens CHEMBL4622626 single protein format
CHEMBL414883 OBDepict O Cl OH O O OH H O H H H 3 C Ki = 520.0 nM 364.78 C[C@@H]1C[C@H]2O[C@@H]2/C=CC=CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 Homo sapiens CHEMBL1004505 assay format
CHEMBL97453 OBDepict CH 3 O HO O O O HO HO Ki = 600.0 nM 314.25 COc1cc(O)c2c(c1)oc(=O)c1c3cc(O)c(O)cc3oc21 Homo sapiens CHEMBL1004505 assay format
CHEMBL117 OBDepict OH OH O O IC50 = 670.0 nM 254.24 O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12 Homo sapiens CHEMBL1004505 assay format
CHEMBL590508 OBDepict HO HN N H 2 N N N H 3 C H 3 C CH 3 IC50 = 788.0 nM 285.35 CC(C)(C)N1NC(c2cccc(O)c2)c2c(N)ncnc21 Homo sapiens CHEMBL1068737 single protein format