Reaction Details Report a problem with these data
Target
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]
Ligand
BDBM375169
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:
BDBM375169
Synonyms:
6-({1-[6-chloro-2-oxo-7- | US10253015, Compound I-29
Type:
Small organic molecule
Emp. Form.:
C24H20ClN5O2
Mol. Mass.:
445.901
SMILES:
CC(Nc1ccc(C#N)c(C)n1)c1cc2cc(Cl)c(OCc3ccccn3)cc2[nH]c1=O
Structure:
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