Reaction Details Report a problem with these data
Target
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]
Ligand
BDBM375146
Substrate
n/a
Meas. Tech.
Cellular 2-HG Assay Using HCT116 Mutant IDH1 Cells
IC50
55±n/a nM
Citation
 Lin, J; Ericsson, A; Campbell, A; Gustafson, G; Wang, Z; Diebold, RB; Ashwell, S; Lancia, Jr., DR; Caravella, JA; Lu, W Pyridinyl quinolinone derivatives as mutant-isocitrate dehydrogenase inhibitors US Patent  US10253015 Publication Date 4/9/2019 
Target
Name:
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]
Synonyms:
IDH1 | IDH1 R132C | IDH1(R132C) | IDHC_HUMAN | Isocitrate dehydrogenase (IDH1)(R132C) | Isocitrate dehydrogenase 1 mutant (R132C) | Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1) (R132C) | PICD
Type:
Enzyme Catalytic Domain
Mol. Mass.:
46607.23
Organism:
Homo sapiens (Human)
Description:
O75874[R132C]
Residue:
414
Sequence:
MSKKISGGSVVEMQGDEMTRIIWELIKEKLIFPYVELDLHSYDLGIENRDATNDQVTKDAAEAIKKHNVGVKCATITPDEKRVEEFKLKQMWKSPNGTIRNILGGTVFREAIICKNIPRLVSGWVKPIIIGCHAYGDQYRATDFVVPGPGKVEITYTPSDGTQKVTYLVHNFEEGGGVAMGMYNQDKSIEDFAHSSFQMALSKGWPLYLSTKNTILKKYDGRFKDIFQEIYDKQYKSQFEAQKIWYEHRLIDDMVAQAMKSEGGFIWACKNYDGDVQSDSVAQGYGSLGMMTSVLVCPDGKTVEAEAAHGTVTRHYRMYQKGQETSTNPIASIFAWTRGLAHRAKLDNNKELAFFANALEEVSIETIEAGFMTKDLAACIKGLPNVQRSDYLNTFEFMDKLGENLKIKLAQAKL
  
Inhibitor
Name:
BDBM375146
Synonyms:
6-{[(1S)-1-(6-chloro-2- | US10253015, Compound I-6
Type:
Small organic molecule
Emp. Form.:
C18H15ClN4O2
Mol. Mass.:
354.79
SMILES:
COc1nc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N |r|
Structure:
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