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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Isocitrate dehydrogenase [NADP] cytoplasmic | ||
| Ligand | BDBM50503248 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2103887 (CHEMBL4812390) | ||
| IC50 | 100.0±n/a nM | ||
| Citation |  Rohde, JM; Karavadhi, S; Pragani, R; Liu, L; Fang, Y; Zhang, W; McIver, A; Zheng, H; Liu, Q; Davis, MI; Urban, DJ; Lee, TD; Cheff, DM; Hollingshead, M; Henderson, MJ; Martinez, NJ; Brimacombe, KR; Yasgar, A; Zhao, W; Klumpp-Thomas, C; Michael, S; Covey, J; Moore, WJ; Stott, GM; Li, Z; Simeonov, A; Jadhav, A; Frye, S; Hall, MD; Shen, M; Wang, X; Patnaik, S; Boxer, MB Discovery and Optimization of 2 J Med Chem64:4913-4946 (2021) [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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| BDBM50503248 | |||
| n/a | |||
| Name | BDBM50503248 | ||
| Synonyms: | CHEMBL4448475 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C31H30Cl2N4O2S | ||
| Mol. Mass. | 593.566 | ||
| SMILES | CCc1ccc(Cl)cc1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNCC1 |(53.26,-23.79,;54.6,-23.02,;55.93,-23.79,;55.93,-25.33,;57.26,-26.1,;58.6,-25.32,;59.94,-26.09,;58.6,-23.79,;57.27,-23.02,;57.27,-21.48,;58.6,-20.72,;59.93,-21.49,;60.32,-22.97,;59.55,-24.19,;61.94,-23.44,;58.6,-19.18,;57.27,-18.4,;55.94,-19.18,;54.6,-18.42,;53.19,-19.05,;52.16,-17.91,;52.93,-16.57,;54.43,-16.89,;50.63,-18.07,;49.73,-16.83,;48.2,-16.99,;47.57,-18.4,;46.04,-18.57,;48.49,-19.65,;50.02,-19.48,;55.94,-20.72,;54.61,-21.49,;59.93,-18.41,;59.94,-16.87,;61.26,-19.19,;61.25,-20.73,;62.57,-21.5,;63.91,-20.74,;63.92,-19.2,;62.59,-18.42,)| | ||
| Structure | 
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