| Reaction Details |
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 | Report a problem with these data |
| Target | Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] |
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| Ligand | BDBM303078 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Mutant IDH1 R132H Biochemical Assay |
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| IC50 | 70.0±n/a nM |
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| Citation |  Rehwinkel, H; Anlauf, S; Nguyen, D; Panknin, O; Bauser, M; Zimmermann, K; Kaulfuss, S; Neuhaus, R; Blaney, PM; Toschi, G 1-cyclohexyl-2-phenylaminobenzimidazoles as mIDH1 inhibitors for the treatment of tumors US Patent US10137110 Publication Date 11/27/2018 |
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| More Info.: | Get all data from this article, Assay Method |
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| Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] |
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| Name: | Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] |
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| 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 |
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| Type: | Protein |
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| Mol. Mass.: | 46641.74 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Human IDH1 R132H (SEQ ID No. 2 in patent). First three are removed. Google patent parsed wrong. |
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| Residue: | 414 |
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| Sequence: | MSKKISGGSVVEMQGDEMTRIIWELIKEKLIFPYVELDLHSYDLGIENRDATNDQVTKDA
AEAIKKHNVGVKCATITPDEKRVEEFKLKQMWKSPNGTIRNILGGTVFREAIICKNIPRL
VSGWVKPIIIGHHAYGDQYRATDFVVPGPGKVEITYTPSDGTQKVTYLVHNFEEGGGVAM
GMYNQDKSIEDFAHSSFQMALSKGWPLYLSTKNTILKKYDGRFKDIFQEIYDKQYKSQFE
AQKIWYEHRLIDDMVAQAMKSEGGFIWACKNYDGDVQSDSVAQGYGSLGMMTSVLVCPDG
KTVEAEAAHGTVTRHYRMYQKGQETSTNPIASIFAWTRGLAHRAKLDNNKELAFFANALE
EVSIETIEAGFMTKDLAACIKGLPNVQRSDYLNTFEFMDKLGENLKIKLAQAKL
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| BDBM303078 |
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| n/a |
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| Name | BDBM303078 |
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| Synonyms: | US10137110, Example 2-2 |
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| Type | Small organic molecule |
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| Emp. Form. | C30H30F3N3O3 |
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| Mol. Mass. | 537.5727 |
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| SMILES | C[C@H]1C[C@@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)-c1cccc(c1)C(O)=O |r| |
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| Structure | 
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