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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] | ||
| Ligand | BDBM412571 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | R132H IDH1 Enzymatic Assay | ||
| IC50 | 35.2±n/a nM | ||
| Citation |  Witter, DJ; Biftu, T; Biju, P; Bogen, SL; Hong, Q; Huang, C; Huang, X; Li, B; Park, MK; Sloman, DL Tricyclic compounds as inhibitors of mutant IDH enzymes US Patent US10399972 Publication Date 9/3/2019 | ||
| 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: |
| ||
| BDBM412571 | |||
| n/a | |||
| Name | BDBM412571 | ||
| Synonyms: | US10399972, Example 62 | [9-fluoro-8-(2-oxa-5-azabicyclo[2.2.2]oct-5-yl)-5,11-dihydro-6H-pyrido[2,3-b][1,5]benzodiazepin-6-yl](trans-4-isopropoxycyclohexyl)methanone | ||
| Type | Small organic molecule | ||
| Emp. Form. | C28H35FN4O3 | ||
| Mol. Mass. | 494.6009 | ||
| SMILES | CC(C)O[C@H]1CC[C@@H](CC1)C(=O)N1Cc2cccnc2Nc2cc(F)c(cc12)N1CC2CCC1CO2 |r,wU:7.10,wD:4.3,(6.06,11.28,;5.29,12.61,;6.06,13.94,;3.75,12.61,;2.98,11.28,;1.44,11.28,;.67,9.94,;1.44,8.61,;2.98,8.61,;3.75,9.94,;.67,7.28,;-.87,7.28,;1.44,5.94,;2.98,5.94,;3.94,4.74,;5.41,5.19,;6.54,4.14,;6.2,2.64,;4.72,2.19,;3.59,3.24,;2.21,2.57,;.82,3.24,;-.31,2.19,;-1.78,2.64,;-2.91,1.6,;-2.12,4.14,;-.99,5.19,;.48,4.74,;-3.59,4.6,;-4.72,3.55,;-6.2,4.01,;-5.25,5.78,;-4.94,4.48,;-3.94,6.1,;-5.41,6.55,;-6.54,5.51,)| | ||
| Structure | 
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