Search and Browse
Download
Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Isocitrate dehydrogenase [NADP] cytoplasmic | ||
| Ligand | BDBM50550477 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2027536 (CHEMBL4681694) | ||
| IC50 | 810±n/a nM | ||
| Citation |  Jones, S; Ahmet, J; Ayton, K; Ball, M; Cockerill, M; Fairweather, E; Hamilton, N; Harper, P; Hitchin, J; Jordan, A; Levy, C; Lopez, R; McKenzie, E; Packer, M; Plant, D; Simpson, I; Simpson, P; Sinclair, I; Somervaille, TC; Small, H; Spencer, GJ; Thomson, G; Tonge, M; Waddell, I; Walsh, J; Waszkowycz, B; Wigglesworth, M; Wiseman, DH; Ogilvie, D Discovery and Optimization of Allosteric Inhibitors of Mutant Isocitrate Dehydrogenase 1 (R132H IDH1) Displaying Activity in Human Acute Myeloid Leukemia Cells. J Med Chem59:11120-11137 (2016) [PubMed] | ||
| 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: |
| ||
| BDBM50550477 | |||
| n/a | |||
| Name | BDBM50550477 | ||
| Synonyms: | CHEMBL4796479 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C25H32N4O5S | ||
| Mol. Mass. | 500.61 | ||
| SMILES | CC(C)CCOc1nc(Nc2csc(n2)C(O)=O)ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2 |TLB:34:31:24.25.26:28,23:24:28:30.31.33,THB:34:25:28:30.31.33,33:31:24:26.27.28,33:27:24:30.34.31,32:31:24:26.27.28,32:31:24.25.26:28,(21.29,-15.61,;19.95,-14.86,;18.62,-15.65,;19.93,-13.31,;18.58,-12.56,;18.56,-11.02,;17.21,-10.26,;15.89,-11.05,;14.54,-10.3,;13.21,-11.09,;11.86,-10.33,;11.68,-8.8,;10.17,-8.5,;9.41,-9.84,;10.46,-10.98,;7.88,-10.03,;6.95,-8.79,;7.26,-11.44,;14.52,-8.75,;15.84,-7.96,;17.2,-8.72,;18.52,-7.93,;18.49,-6.38,;19.87,-8.68,;21.11,-7.93,;22.53,-7.53,;22.53,-6.03,;23.51,-4.87,;22.24,-5.32,;22.24,-6.72,;23.5,-7.18,;24.82,-6.86,;26.27,-6.8,;24.83,-5.41,;23.86,-8.06,)| | ||
| Structure | 
| ||