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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] | ||
| Ligand | BDBM287811 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | R132H IDH1 Enzymatic Assay | ||
| pH | 7±n/a | ||
| Temperature | 298.15±n/a K | ||
| IC50 | 1047±n/a nM | ||
| Comments | extracted | ||
| Citation |  Fischer, C; Bogen, SL; Childers, ML; Fradera Llinas, FX; Kim, AJ; Lampe, JW; Machacek, MR; McMasters, DR; Parker, Jr., DL; Sciammetta, N; Shao, PP; Sloman, DL; Sun, W; Ujjainwalla, F; Huang, C Tricyclic compounds as inhibitors of mutant IDH enzymes US Patent US10086000 Publication Date 10/2/2018 | ||
| 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: |
| ||
| BDBM287811 | |||
| n/a | |||
| Name | BDBM287811 | ||
| Synonyms: | 6-(bicyclo[3.1.1]hept-1- ylcarbonyl)-6,11-dihydro- 5H-pyrido[2,3-b] [1,5]benzodiazepine | US10086000, Example 29 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C20H21N3O | ||
| Mol. Mass. | 319.4002 | ||
| SMILES | O=C(N1Cc2cccnc2Nc2ccccc12)C12CC(C1)CCC2 |(3.08,.54,;1.54,.54,;.77,-.79,;-.77,-.79,;-1.73,-1.99,;-3.2,-1.54,;-4.33,-2.59,;-3.99,-4.09,;-2.52,-4.54,;-1.39,-3.5,;,-4.16,;1.39,-3.5,;2.52,-4.54,;3.99,-4.09,;4.33,-2.59,;3.2,-1.54,;1.73,-1.99,;.77,1.88,;-.77,1.88,;-1.54,3.21,;-1.85,.6,;-.77,4.54,;.77,4.54,;1.54,3.21,)| | ||
| Structure | 
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