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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] | ||
| Ligand | BDBM416155 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | Enzymatic Assay | ||
| IC50 | 48.0±n/a nM | ||
| Citation |  Fischer, C; Bogen, SL; Childers, ML; Fradera Llinas, FX; Ellis, JM; Esposite, S; Hong, Q; Huang, C; Kim, AJ; Lampe, JW; Machacek, MR; McMasters, DR; Otte, RD; Parker, Jr., DL; Reutershan, M; Sciammetta, N; Shao, PP; Sloman, DL; Ujjainwalla, F; White, C; Wu, Z; Yu, Y; Zhao, K; Gibeau, C; Biftu, T; Biju, P; Chen, L; Close, J; Fuller, PH; Huang, X; Park, MK; Simov, V; Witter, DJ; Zhang, H Tricyclic compounds as inhibitors of mutant IDH enzymes US Patent US10442819 Publication Date 10/15/2019 | ||
| 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: |
| ||
| BDBM416155 | |||
| n/a | |||
| Name | BDBM416155 | ||
| Synonyms: | 6-{[trans-4-(1- methylethoxy)cyclohexyl]car- bonyl}-8-[(1S,4S)-2-oxa-5- azabicyclo[2.2.1]hept-5-yl]- 6,11-dihydro-5H-pyrido[2,3- b][1,5]benzodiazepine | US10442819, Example 300 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C27H34N4O3 | ||
| Mol. Mass. | 462.5839 | ||
| SMILES | CC(C)O[C@H]1CC[C@@H](CC1)C(=O)N1Cc2cccnc2Nc2ccc(cc12)N1C[C@@H]2C[C@H]1CO2 |r,wU:7.10,29.33,wD:4.3,31.34,THB:24:27:32.33:30,(6.2,5.88,;5.43,4.54,;6.2,3.21,;3.89,4.54,;3.12,3.21,;1.58,3.21,;.81,1.88,;1.58,.54,;3.12,.54,;3.89,1.88,;.81,-.79,;-.73,-.79,;1.58,-2.12,;3.12,-2.12,;4.08,-3.33,;5.55,-2.87,;6.68,-3.92,;6.34,-5.42,;4.87,-5.88,;3.74,-4.83,;2.35,-5.5,;.97,-4.83,;-.16,-5.88,;-1.64,-5.42,;-1.98,-3.92,;-.85,-2.87,;.62,-3.33,;-3.47,-3.52,;-3.86,-2.04,;-5.2,-2.8,;-6.68,-2.41,;-4.8,-4.29,;-5.57,-5.63,;-5.96,-4.14,)| | ||
| Structure | 
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