Search and Browse
Download
Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Isocitrate dehydrogenase [NADP] cytoplasmic | ||
| Ligand | BDBM50567808 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2103885 (CHEMBL4812388) | ||
| IC50 | 44±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: |
| ||
| BDBM50567808 | |||
| n/a | |||
| Name | BDBM50567808 | ||
| Synonyms: | CHEMBL4860083 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C33H35ClN4O2S | ||
| Mol. Mass. | 587.175 | ||
| SMILES | CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNCC1 |(34.78,-41.41,;33.43,-40.68,;32.11,-41.49,;32.16,-43.02,;30.84,-43.84,;29.49,-43.1,;29.45,-41.56,;28.1,-40.83,;26.78,-41.63,;30.77,-40.76,;30.73,-39.22,;29.4,-38.46,;28.07,-39.23,;26.57,-38.83,;26.17,-37.34,;25.48,-39.91,;29.4,-36.92,;30.73,-36.14,;32.06,-36.92,;33.39,-36.15,;34.8,-36.78,;35.83,-35.64,;35.06,-34.3,;33.56,-34.62,;37.35,-35.8,;37.97,-37.22,;39.5,-37.38,;40.41,-36.14,;41.94,-36.3,;39.78,-34.72,;38.26,-34.56,;32.06,-38.46,;33.39,-39.23,;28.06,-36.15,;26.73,-36.93,;28.06,-34.61,;29.39,-33.84,;29.39,-32.31,;28.06,-31.54,;26.72,-32.31,;26.72,-33.85,)| | ||
| Structure | 
| ||