Reaction Details |
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Target | Isocitrate dehydrogenase [NADP] cytoplasmic |
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Ligand | BDBM50250676 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_1682056 |
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IC50 | >57000±n/a nM |
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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 Chem60:9184-9204 (2017) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Isocitrate dehydrogenase [NADP] cytoplasmic |
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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: | MSKKISGGSVVEMQGDEMTRIIWELIKEKLIFPYVELDLHSYDLGIENRDATNDQVTKDA
AEAIKKHNVGVKCATITPDEKRVEEFKLKQMWKSPNGTIRNILGGTVFREAIICKNIPRL
VSGWVKPIIIGRHAYGDQYRATDFVVPGPGKVEITYTPSDGTQKVTYLVHNFEEGGGVAM
GMYNQDKSIEDFAHSSFQMALSKGWPLYLSTKNTILKKYDGRFKDIFQEIYDKQYKSQFE
AQKIWYEHRLIDDMVAQAMKSEGGFIWACKNYDGDVQSDSVAQGYGSLGMMTSVLVCPDG
KTVEAEAAHGTVTRHYRMYQKGQETSTNPIASIFAWTRGLAHRAKLDNNKELAFFANALE
EVSIETIEAGFMTKDLAACIKGLPNVQRSDYLNTFEFMDKLGENLKIKLAQAKL
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BDBM50250676 |
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n/a |
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Name | BDBM50250676 |
Synonyms: | CHEMBL4076958 | US10961200, Compound 48 | US11247971, Cmpd ID 48 |
Type | Small organic molecule |
Emp. Form. | C19H15N5O4S2 |
Mol. Mass. | 441.484 |
SMILES | NS(=O)(=O)c1ccc(Nc2cn(nc2-c2ccccc2)-c2nc(cs2)C(O)=O)cc1 |
Structure |
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