| Reaction Details |
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 | Report a problem with these data |
| Target | Isocitrate dehydrogenase [NADP] cytoplasmic |
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| Ligand | BDBM50586273 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2165763 (CHEMBL5050624) |
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| IC50 | 4.9±n/a nM |
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| Citation |  Huang, C; Fischer, C; Machacek, MR; Bogen, S; Biftu, T; Huang, X; Reutershan, MH; Otte, R; Hong, Q; Wu, Z; Yu, Y; Park, M; Chen, L; Biju, P; Knemeyer, I; Lu, P; Kochansky, CJ; Hicks, MB; Liu, Y; Helmy, R; Fradera, X; Donofrio, A; Close, J; Maddess, ML; White, C; Sloman, DL; Sciammetta, N; Lu, J; Gibeau, C; Simov, V; Zhang, H; Fuller, P; Witter, D Diminishing GSH-Adduct Formation of Tricyclic Diazepine-based Mutant IDH1 Inhibitors. ACS Med Chem Lett13:734-741 (2022) [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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| BDBM50586273 |
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| n/a |
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| Name | BDBM50586273 |
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| Synonyms: | CHEMBL5093219 |
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| Type | Small organic molecule |
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| Emp. Form. | C25H28FN5O3 |
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| Mol. Mass. | 465.5199 |
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| SMILES | CC(C)O[C@H]1CC[C@@H](OC1)C(=O)N1Cc2cc(F)cnc2Nc2ccc(cc12)-c1cnn(C)c1 |r| |
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| Structure | 
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