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

Pfam Domain Table

AccessionDomainRangeColor
PF00180Iso_dh - Isocitrate/isopropylmalate dehydrogenase11~380

3D structures mapped by conservation among orthologs


[ Alpha Fold Model ] (go)



Known binders annotated in ChEMBL

 IC50 CSV    Ki CSV
Only the first 20 rows are shown.
molecule_chembl_idstructureassay_typerelation valueunitmol_wtsmilesorganism assay_chembl_idbao_label
CHEMBL4279047 IC50 = 0.04 nM 414.74 C[C@@H](Nc1nc(N[C@H](C)C(F)(F)F)nc(-c2cccc(Cl)n2)n1)C(F)(F)F Homo sapiens CHEMBL4309377 single protein format
CHEMBL4278845 IC50 = 0.25 nM 414.74 C[C@H](Nc1nc(N[C@@H](C)C(F)(F)F)nc(-c2cccc(Cl)n2)n1)C(F)(F)F Homo sapiens CHEMBL4338885 assay format
CHEMBL4283785 IC50 = 0.3 nM 414.74 CC(Nc1nc(NC(C)C(F)(F)F)nc(-c2cccc(Cl)n2)n1)C(F)(F)F Homo sapiens CHEMBL4338885 assay format
CHEMBL4280132 IC50 = 0.7 nM 430.84 FC1(F)CCC(Nc2nc(NC3CCC(F)(F)C3)nc(-c3cccc(Cl)n3)n2)C1 Homo sapiens CHEMBL4338885 assay format
CHEMBL4277352 IC50 = 1.0 nM 464.39 FC1(F)CCC(Nc2nc(NC3CCC(F)(F)C3)nc(-c3cccc(C(F)(F)F)n3)n2)C1 Homo sapiens CHEMBL4338885 assay format
CHEMBL3909586 IC50 = 1.0 nM 446.43 C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@H](C)F)n1)c1cn(-c2ccc(C(F)F)cc2)cn1 Homo sapiens CHEMBL3889082 single protein format
CHEMBL4463644 IC50 = 2.0 nM 469.91 C[C@H](Nc1nc(N2C(=O)OC[C@@H]2[C@H](C)F)c2cc[nH]c2n1)c1cn(-c2ccc(Cl)cc2)cn1 Homo sapiens CHEMBL4309387 single protein format
CHEMBL4439421 IC50 = 2.0 nM 525.54 Cc1cc([C@@H](C)Nc2nc(N3C(=O)OC[C@@H]3C(C)C)c3cc[nH]c3n2)ncc1-c1ccnc(C(F)(F)F)c1 Homo sapiens CHEMBL4309387 single protein format
CHEMBL4529476 IC50 = 2.1 nM 508.45 C[C@H](Nc1ncc(F)c(N2C(=O)OC[C@@H]2[C@H](C)F)n1)c1ncn2c1CCc1cc(C(F)(F)F)ccc1-2 Homo sapiens CHEMBL4409429 assay format
CHEMBL4548637 IC50 = 2.12 nM 524.91 C[C@H](Nc1nc(Cl)cc(N2C(=O)OC[C@@H]2[C@H](C)F)n1)c1ncn2c1CCc1cc(C(F)(F)F)ccc1-2 Homo sapiens CHEMBL4409429 assay format
CHEMBL3980822 IC50 = 3.0 nM 463.33 C[C@H](Nc1nc(Cl)cc(N2C(=O)OCC2[C@@H](C)O)n1)c1cn(-c2ccc(Cl)cc2)cn1 Homo sapiens CHEMBL3889082 single protein format
CHEMBL3979625 IC50 = 3.0 nM 463.33 C[C@H](Nc1nc(Cl)cc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1cn(-c2ccc(Cl)cc2)cn1 Homo sapiens CHEMBL3889082 single protein format
CHEMBL4436236 IC50 = 3.5 nM 506.48 Cn1nccc1-c1cc2c(cc1F)Nc1ncc(F)cc1CN2C(=O)C1CCN(CC(F)(F)F)CC1 Homo sapiens CHEMBL4309354 single protein format
CHEMBL4215717 IC50 = 3.8 nM 501.56 C[C@H](O)c1cccc(NC(=O)c2nn(Cc3ccc(F)cc3)c3c2CN(C(=O)c2ccc[nH]2)C[C@H]3C)c1 Homo sapiens CHEMBL4180903 single protein format
CHEMBL3962229 IC50 = 4.0 nM 480.38 C[C@H](Nc1nc(Cl)cc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1cnc(-c2ccc(Cl)cc2)s1 Homo sapiens CHEMBL3889082 single protein format
CHEMBL4170686 IC50 = 4.0 nM 460.58 CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(-c3ccnc(C(C)(C)C)c3)cn2)n1 Homo sapiens CHEMBL4135748 single protein format
CHEMBL4526035 IC50 = 4.0 nM 413.87 COc1nc(N[C@@H](C)c2cc3cc(Cl)c(OC(C)C)cc3[nH]c2=O)ncc1C#N Homo sapiens CHEMBL4360242 single protein format
CHEMBL5425749 IC50 = 4.7 nM 532.64 C=CS(=O)(=O)NC1CCN(c2ccc([C@H](C)Nc3ncc(F)c(N4C(=O)OC[C@@H]4C(C)C)n3)cc2)CC1 Homo sapiens CHEMBL5371973 assay format
CHEMBL5093219 IC50 = 4.9 nM 465.53 CC(C)O[C@H]1CC[C@H](C(=O)N2Cc3cc(F)cnc3Nc3ccc(-c4cnn(C)c4)cc32)OC1 Homo sapiens CHEMBL5050624 single protein format
CHEMBL3950128 IC50 = 5.0 nM 547.94 CC(O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)C2CCN(c3ccc(Cl)c(OC(F)(F)F)c3)CC2)ncc1F Homo sapiens CHEMBL3889083 single protein format