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Target
Isocitrate dehydrogenase [NADP] cytoplasmic
Ligand
BDBM50103568
Substrate
n/a
Meas. Tech.
ChEBML_1682056
IC50
>57000±n/a nM
Citation
 Rai, G; Brimacombe, KR; Mott, BT; Urban, DJ; Hu, X; Yang, SM; Lee, TD; Cheff, DM; Kouznetsova, J; Benavides, GA; Pohida, K; Kuenstner, EJ; Luci, DK; Lukacs, CM; Davies, DR; Dranow, DM; Zhu, H; Sulikowski, G; Moore, WJ; Stott, GM; Flint, AJ; Hall, MD; Darley-Usmar, VM; Neckers, LM; Dang, CV; Waterson, AG; Simeonov, A; Jadhav, A; Maloney, DJ Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH). J Med Chem 60:9184-9204 (2017) [PubMed]  Article 
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:
BDBM50103568
Synonyms:
CHEMBL3335794
Type:
Small organic molecule
Emp. Form.:
C31H25F2N5O7S
Mol. Mass.:
649.621
SMILES:
COc1ncc(-c2ccc3c(Nc4cc(Oc5cc(F)cc(F)c5)cc(c4)C(O)=O)c(cnc3c2)S(=O)(=O)NC2CC2)c(OC)n1
Structure:
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