Reaction Details | |||
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Target | Isocitrate dehydrogenase [NADP] cytoplasmic | ||
Ligand | BDBM50586264 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_2165763 (CHEMBL5050624) | ||
IC50 | 11210±n/a nM | ||
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 | ||
More Info.: | Get all data from this article, Assay Method | ||
Isocitrate dehydrogenase [NADP] cytoplasmic | |||
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: |
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BDBM50586264 | |||
n/a | |||
Name | BDBM50586264 | ||
Synonyms: | CHEMBL5074633 | ||
Type | Small organic molecule | ||
Emp. Form. | C29H38N4O5S | ||
Mol. Mass. | 554.701 | ||
SMILES | CC(C)O[C@H]1CC[C@@H](CC1)C(=O)N1Cc2cc(cnc2Nc2ccc(cc12)N1CC2CCC1CO2)S(C)(=O)=O |r,wU:7.10,wD:4.3,(6.76,5.45,;5.67,4.36,;6.07,2.87,;4.18,4.76,;3.09,3.67,;1.6,4.07,;.51,2.98,;.91,1.49,;2.4,1.09,;3.49,2.18,;-.18,.4,;-1.66,.8,;.22,-1.09,;1.72,-1.43,;2.4,-2.81,;3.91,-2.7,;4.76,-3.97,;4.1,-5.34,;2.58,-5.45,;1.72,-4.18,;.23,-4.53,;-.98,-3.58,;-2.3,-4.34,;-3.64,-3.58,;-3.64,-2.04,;-2.31,-1.27,;-.98,-2.04,;-4.97,-1.27,;-6.31,-2.04,;-7.64,-1.27,;-6.87,.07,;-5.98,-1.06,;-4.97,.27,;-6.31,1.04,;-7.64,.27,;6.3,-3.97,;7.07,-5.31,;7.64,-3.2,;6.3,-2.43,)| | ||
Structure |