HOME LIGAND hPROTEOME OTHERS DOCUMENT

O75874 | IDHC_HUMAN | Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1)

3D structures mapped by conservation among orthologs



[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL2386125 OBDepict OH N OH Ki = 120.0 nM 203.24 OC1C=CC(Cc2ccccc2)=CN1O Homo sapiens CHEMBL3389006 assay format
CHEMBL3343445 OBDepict OH N OH CH 3 O Ki = 140.0 nM 231.25 Cc1cc(Cc2cccc(O)c2)n(O)c(=O)c1 Homo sapiens CHEMBL3388443 assay format
CHEMBL3343464 OBDepict CH 3 O N OH CH 3 O Ki = 140.0 nM 321.38 COc1cccc(-c2ccc(Cc3cc(C)cc(=O)n3O)cc2)c1 Homo sapiens CHEMBL3388443 assay format
CHEMBL3343444 OBDepict CH 3 O N OH CH 3 O Ki = 150.0 nM 245.28 COc1cccc(Cc2cc(C)cc(=O)n2O)c1 Homo sapiens CHEMBL3388443 assay format
CHEMBL2386126 OBDepict CH 3 N O OH Ki = 190.0 nM 215.25 Cc1cc(Cc2ccccc2)n(O)c(=O)c1 Homo sapiens CHEMBL2390492 assay format
CHEMBL3343463 OBDepict HO N HO CH 3 O Ki = 250.0 nM 307.35 Cc1cc(Cc2ccc(-c3ccc(O)cc3)cc2)n(O)c(=O)c1 Homo sapiens CHEMBL3388443 assay format
CHEMBL2386128 OBDepict O N OH Ki = 270.0 nM 201.22 O=c1cccc(Cc2ccccc2)n1O Homo sapiens CHEMBL3389006 assay format
CHEMBL3343465 OBDepict OH N OH CH 3 O Ki = 270.0 nM 307.35 Cc1cc(Cc2ccc(-c3cccc(O)c3)cc2)n(O)c(=O)c1 Homo sapiens CHEMBL3388443 assay format
CHEMBL2386127 OBDepict OH N OH CH 3 O Ki = 280.0 nM 231.25 Cc1cc(Cc2ccc(O)cc2)n(O)c(=O)c1 Homo sapiens CHEMBL2390492 assay format
CHEMBL3343466 OBDepict CH 3 N O OH Ki = 300.0 nM 367.45 Cc1cc(Cc2cc(-c3ccccc3)cc(-c3ccccc3)c2)n(O)c(=O)c1 Homo sapiens CHEMBL3388443 assay format
CHEMBL3343462 OBDepict CH 3 O N OH CH 3 O Ki = 340.0 nM 321.38 COc1ccc(-c2ccc(Cc3cc(C)cc(=O)n3O)cc2)cc1 Homo sapiens CHEMBL3388443 assay format
CHEMBL3343439 OBDepict OH N O HO Ki = 380.0 nM 217.22 O=c1cc(O)cc(Cc2ccccc2)n1O Homo sapiens CHEMBL3388443 assay format
CHEMBL3605384 OBDepict S N H N H O N H O Ki = 420.0 nM 221.24 O=C1NC(=S)N/C1=C/c1ccc(=O)[nH]c1 Homo sapiens CHEMBL3606169 assay format
CHEMBL3605387 OBDepict S N H N CH 3 O N H 3 C O Ki = 470.0 nM 249.29 CN1C(=O)/C(=Cc2ccc(=O)n(C)c2)NC1=S Homo sapiens CHEMBL3606169 assay format
CHEMBL3343446 OBDepict H 3 C O N OH CH 3 O Ki = 490.0 nM 245.28 COc1ccccc1Cc1cc(C)cc(=O)n1O Homo sapiens CHEMBL3388443 assay format
CHEMBL3343443 OBDepict CH 3 O N OH CH 3 O Ki = 560.0 nM 245.28 COc1ccc(Cc2cc(C)cc(=O)n2O)cc1 Homo sapiens CHEMBL3388443 assay format
CHEMBL3343456 OBDepict CH 3 N O OH Ki = 600.0 nM 291.35 Cc1cc(Cc2cccc(-c3ccccc3)c2)n(O)c(=O)c1 Homo sapiens CHEMBL3388443 assay format
CHEMBL3341775 OBDepict CH 3 N O OH OH Ki = 650.0 nM 231.25 Cc1cc(Cc2ccccc2O)n(O)c(=O)c1 Homo sapiens CHEMBL3388443 assay format
CHEMBL3605382 OBDepict S N H N CH 3 O N H O Ki = 750.0 nM 235.27 CN1C(=O)/C(=Cc2ccc(=O)[nH]c2)NC1=S Homo sapiens CHEMBL3606169 assay format
CHEMBL3343457 OBDepict CH 3 N O OH O Ki = 750.0 nM 307.35 Cc1cc(Cc2ccc(Oc3ccccc3)cc2)n(O)c(=O)c1 Homo sapiens CHEMBL3388443 assay format
CHEMBL3343435 OBDepict CH 3 N O O OH Ki = 870.0 nM 231.25 Cc1cc(COc2ccccc2)n(O)c(=O)c1 Homo sapiens CHEMBL3388443 assay format
CHEMBL3343455 OBDepict CH 3 N O OH S Ki = 950.0 nM 221.28 Cc1cc(Cc2ccsc2)n(O)c(=O)c1 Homo sapiens CHEMBL3388443 assay format
CHEMBL3343458 OBDepict CH 3 N O OH Ki = 950.0 nM 265.31 Cc1cc(Cc2cccc3ccccc23)n(O)c(=O)c1 Homo sapiens CHEMBL3388443 assay format