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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Isocitrate dehydrogenase [NADP] cytoplasmic | ||
| Ligand | BDBM50567820 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2103887 (CHEMBL4812390) | ||
| IC50 | 60±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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| BDBM50567820 | |||
| n/a | |||
| Name | BDBM50567820 | ||
| Synonyms: | CHEMBL4858156 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C34H37ClN4O3S | ||
| Mol. Mass. | 617.201 | ||
| SMILES | CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNC(CO)C1 |(39.34,-43.55,;37.98,-42.82,;36.67,-43.63,;36.72,-45.16,;35.4,-45.98,;34.05,-45.24,;34.01,-43.7,;32.65,-42.97,;31.34,-43.77,;35.32,-42.9,;35.28,-41.36,;33.96,-40.6,;32.62,-41.37,;31.13,-40.97,;30.73,-39.48,;30.03,-42.05,;33.96,-39.06,;35.29,-38.28,;36.62,-39.06,;37.95,-38.29,;39.35,-38.92,;40.39,-37.78,;39.62,-36.44,;38.11,-36.76,;41.91,-37.94,;42.53,-39.35,;44.06,-39.52,;44.97,-38.28,;46.5,-38.44,;44.34,-36.86,;42.81,-36.7,;36.62,-40.6,;37.95,-41.37,;32.62,-38.29,;31.29,-39.07,;32.62,-36.75,;33.95,-35.98,;33.95,-34.45,;32.61,-33.68,;31.28,-34.45,;29.95,-33.68,;29.95,-32.14,;31.28,-35.99,)| | ||
| Structure | 
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