Reaction Details  Report a problem with these data
Target
Isocitrate dehydrogenase [NADP] cytoplasmic
Ligand
BDBM50615220
Substrate
n/a
Meas. Tech.
ChEMBL_2300366
IC50
2500±n/a nM
Citation
 Levell, JR; Caferro, T; Chenail, G; Dix, I; Dooley, J; Firestone, B; Fortin, PD; Giraldes, J; Gould, T; Growney, JD; Jones, MD; Kulathila, R; Lin, F; Liu, G; Mueller, A; van der Plas, S; Slocum, K; Smith, T; Terranova, R; Touré, BB; Tyagi, V; Wagner, T; Xie, X; Xu, M; Yang, FS; Zhou, LX; Pagliarini, R; Cho, YS Optimization of 3-Pyrimidin-4-yl-oxazolidin-2-ones as Allosteric and Mutant Specific Inhibitors of IDH1. ACS Med Chem Lett 8:151-156 (2017) [PubMed]
Target
Name:
Isocitrate dehydrogenase [NADP] cytoplasmic
Synonyms:
Cytosolic NADP-isocitrate dehydrogenase | IDH | IDH1 | IDHC_HUMAN | IDP | Isocitrate Dehydrogenase (IDH1) | Isocitrate dehydrogenase 1 (IDH1) | NADP(+)-specific ICDH | Oxalosuccinate decarboxylase | PICD
Type:
Protein
Mol. Mass.:
46661.29
Organism:
Homo sapiens (Human)
Description:
O75874
Residue:
414
Sequence:
MSKKISGGSVVEMQGDEMTRIIWELIKEKLIFPYVELDLHSYDLGIENRDATNDQVTKDAAEAIKKHNVGVKCATITPDEKRVEEFKLKQMWKSPNGTIRNILGGTVFREAIICKNIPRLVSGWVKPIIIGRHAYGDQYRATDFVVPGPGKVEITYTPSDGTQKVTYLVHNFEEGGGVAMGMYNQDKSIEDFAHSSFQMALSKGWPLYLSTKNTILKKYDGRFKDIFQEIYDKQYKSQFEAQKIWYEHRLIDDMVAQAMKSEGGFIWACKNYDGDVQSDSVAQGYGSLGMMTSVLVCPDGKTVEAEAAHGTVTRHYRMYQKGQETSTNPIASIFAWTRGLAHRAKLDNNKELAFFANALEEVSIETIEAGFMTKDLAACIKGLPNVQRSDYLNTFEFMDKLGENLKIKLAQAKL
  
Inhibitor
Name:
BDBM50615220
Synonyms:
CHEMBL5281535
Type:
Small organic molecule
Emp. Form.:
C20H26N4O4
Mol. Mass.:
386.4448
SMILES:
COc1ccc(cc1OC)[C@H](C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C |r|
Structure:
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