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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Isocitrate dehydrogenase [NADP] cytoplasmic | ||
| Ligand | BDBM50567819 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2103885 (CHEMBL4812388) | ||
| IC50 | 78±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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| BDBM50567819 | |||
| n/a | |||
| Name | BDBM50567819 | ||
| Synonyms: | CHEMBL4845768 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C35H37ClN4O2S | ||
| Mol. Mass. | 613.212 | ||
| SMILES | CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNC2(CC2)C1 |(38.63,-28.74,;37.28,-28.01,;35.96,-28.82,;36.01,-30.36,;34.69,-31.17,;33.34,-30.43,;33.3,-28.89,;31.95,-28.16,;30.63,-28.96,;34.62,-28.09,;34.58,-26.55,;33.25,-25.79,;31.92,-26.56,;30.42,-26.16,;30.02,-24.67,;29.33,-27.24,;33.25,-24.25,;34.58,-23.47,;35.91,-24.25,;37.24,-23.48,;38.65,-24.11,;39.68,-22.97,;38.91,-21.63,;37.41,-21.95,;41.2,-23.13,;41.82,-24.55,;43.35,-24.71,;44.26,-23.47,;45.8,-23.63,;43.63,-22.05,;42.11,-21.89,;35.91,-25.79,;37.24,-26.56,;31.91,-23.48,;30.58,-24.26,;31.91,-21.94,;33.24,-21.17,;33.24,-19.64,;31.91,-18.87,;30.57,-19.63,;29.03,-19.62,;29.8,-18.29,;30.57,-21.18,)| | ||
| Structure | 
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