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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Isocitrate dehydrogenase [NADP] cytoplasmic | ||
| Ligand | BDBM50567830 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2103885 (CHEMBL4812388) | ||
| IC50 | 56±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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| BDBM50567830 | |||
| n/a | |||
| Name | BDBM50567830 | ||
| Synonyms: | CHEMBL4878829 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C31H31ClN4O2S | ||
| Mol. Mass. | 559.121 | ||
| SMILES | CCc1ccccc1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNCC1 |(28.88,-27.83,;30.2,-27.02,;31.55,-27.76,;31.59,-29.3,;32.94,-30.03,;34.26,-29.22,;34.21,-27.68,;32.87,-26.95,;32.83,-25.42,;31.5,-24.66,;30.17,-25.43,;28.67,-25.02,;28.27,-23.53,;27.58,-26.11,;31.5,-23.12,;32.83,-22.34,;34.16,-23.12,;35.49,-22.34,;36.9,-22.97,;37.93,-21.83,;37.16,-20.5,;35.66,-20.81,;39.45,-22,;40.07,-23.41,;41.6,-23.58,;42.51,-22.33,;44.05,-22.5,;41.88,-20.92,;40.36,-20.76,;34.16,-24.66,;35.49,-25.43,;30.16,-22.35,;28.83,-23.12,;30.16,-20.81,;31.5,-20.04,;31.5,-18.51,;30.17,-17.73,;28.83,-18.51,;28.83,-20.05,)| | ||
| Structure | 
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