| Reaction Details |
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 | Report a problem with these data |
| Target | Isocitrate dehydrogenase [NADP] cytoplasmic |
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| Ligand | BDBM50465384 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1784731 (CHEMBL4256248) |
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| IC50 | 15±n/a nM |
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| Citation |  Popovici-Muller, J; Lemieux, RM; Artin, E; Saunders, JO; Salituro, FG; Travins, J; Cianchetta, G; Cai, Z; Zhou, D; Cui, D; Chen, P; Straley, K; Tobin, E; Wang, F; David, MD; Penard-Lacronique, V; Quivoron, C; Saada, V; de Botton, S; Gross, S; Dang, L; Yang, H; Utley, L; Chen, Y; Kim, H; Jin, S; Gu, Z; Yao, G; Luo, Z; Lv, X; Fang, C; Yan, L; Olaharski, A; Silverman, L; Biller, S; Su, SM; Yen, K Discovery of AG-120 (Ivosidenib): A First-in-Class Mutant IDH1 Inhibitor for the Treatment of IDH1 Mutant Cancers. ACS Med Chem Lett9:300-305 (2018) [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 |
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| Synonyms: | Cytosolic NADP-isocitrate dehydrogenase | IDH | IDH1 | IDHC_HUMAN | IDP | Isocitrate Dehydrogenase (IDH1) | Isocitrate dehydrogenase 1 (IDH1) | NADP(+)-specific ICDH | Oxalosuccinate decarboxylase | PICD |
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| Type: | Protein |
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| Mol. Mass.: | 46661.29 |
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| Organism: | Homo sapiens (Human) |
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| Description: | O75874 |
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| Residue: | 414 |
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| Sequence: | MSKKISGGSVVEMQGDEMTRIIWELIKEKLIFPYVELDLHSYDLGIENRDATNDQVTKDA
AEAIKKHNVGVKCATITPDEKRVEEFKLKQMWKSPNGTIRNILGGTVFREAIICKNIPRL
VSGWVKPIIIGRHAYGDQYRATDFVVPGPGKVEITYTPSDGTQKVTYLVHNFEEGGGVAM
GMYNQDKSIEDFAHSSFQMALSKGWPLYLSTKNTILKKYDGRFKDIFQEIYDKQYKSQFE
AQKIWYEHRLIDDMVAQAMKSEGGFIWACKNYDGDVQSDSVAQGYGSLGMMTSVLVCPDG
KTVEAEAAHGTVTRHYRMYQKGQETSTNPIASIFAWTRGLAHRAKLDNNKELAFFANALE
EVSIETIEAGFMTKDLAACIKGLPNVQRSDYLNTFEFMDKLGENLKIKLAQAKL
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| BDBM50465384 |
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| n/a |
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| Name | BDBM50465384 |
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| Synonyms: | CHEMBL4282663 |
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| Type | Small organic molecule |
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| Emp. Form. | C29H24ClF3N6O3 |
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| Mol. Mass. | 596.987 |
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| SMILES | Fc1cncc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)C[C@@H]1CCC(=O)N1c1cc(ccn1)C#N |r| |
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| Structure | 
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