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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] | ||
| Ligand | BDBM278545 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | Inhibitory Activity Against IDH1R132H and IDH1R132C Enzymes | ||
| pH | 7.5±n/a | ||
| Temperature | 298.15±n/a K | ||
| IC50 | 11±n/a nM | ||
| Comments | extracted | ||
| Citation |  Saito, S; Itoh, M; Fujisawa, T; Saito, H; Kiyotsuka, Y; Watanabe, H; Matsunaga, H; Kagoshima, Y; Suzuki, T; Ogawara, Y; Kitabayashi, K Isoxazole derivative as mutant isocitrate dehydrogenase 1 inhibitor US Patent US10040791 Publication Date 8/7/2018 | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] | |||
| Name: | Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] | ||
| Synonyms: | Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H) | IDH1 | IDH1 R132H | IDH1(R132H) | IDHC_HUMAN | Isocitrate dehydrogenase (IDH1)(R132H) | Isocitrate dehydrogenase 1 mutant (R132H) | Isocitrate dehydrogenase [NADP] cytoplasmic (IDH)(R132H) | Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1)(R132H) | Isocitrate dehydrogenase [NADP] cytoplasmic (R132H) | PICD | ||
| Type: | Protein | ||
| Mol. Mass.: | 46641.74 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | Human IDH1 R132H (SEQ ID No. 2 in patent). First three are removed. Google patent parsed wrong. | ||
| Residue: | 414 | ||
| Sequence: |
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| BDBM278545 | |||
| n/a | |||
| Name | BDBM278545 | ||
| Synonyms: | (2E)-3-(1-{[3-(2,6-Dichlorophenyl)-5-(2-hydroxypropan-2-yl)-1,2-oxazol-4-yl]carbonyl}-1H-indol-4-yl)prop-2-enoic acid | US10040791, Example 7 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C24H18Cl2N2O5 | ||
| Mol. Mass. | 485.316 | ||
| SMILES | CC(C)(O)c1onc(c1C(=O)n1ccc2c(\C=C\C(O)=O)cccc12)-c1c(Cl)cccc1Cl |(.2,4.22,;-.89,3.13,;-1.98,4.22,;.45,2.36,;-2.22,2.36,;-3.47,3.27,;-4.71,2.36,;-4.24,.9,;-2.7,.9,;-1.93,-.44,;-2.57,-1.55,;-.39,-.44,;.52,.81,;1.98,.33,;1.98,-1.21,;3.13,-2.24,;4.61,-1.84,;5.01,-.35,;6.5,.05,;7.59,-1.04,;6.9,1.53,;2.81,-3.74,;1.34,-4.22,;.2,-3.19,;.52,-1.68,;-5.28,-.92,;-6.82,-.92,;-7.59,.41,;-7.59,-2.26,;-6.82,-3.59,;-5.28,-3.59,;-4.51,-2.26,;-2.97,-2.26,)| | ||
| Structure | 
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