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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Branched-chain-amino-acid aminotransferase, mitochondrial | ||
| Ligand | BDBM50607314 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2262571 (CHEMBL5217582) | ||
| IC50 | 290±n/a nM | ||
| Citation |  Günther, J; Hillig, RC; Zimmermann, K; Kaulfuss, S; Lemos, C; Nguyen, D; Rehwinkel, H; Habgood, M; Lechner, C; Neuhaus, R; Ganzer, U; Drewes, M; Chai, J; Bouché, L BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe. J Med Chem65:14366-14390 (2022) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Branched-chain-amino-acid aminotransferase, mitochondrial | |||
| Name: | Branched-chain-amino-acid aminotransferase, mitochondrial | ||
| Synonyms: | BCAT(m) | BCAT2 | BCAT2_HUMAN | BCATM | BCATM | BCT2 | Branched-chain-amino-acid aminotransferase, mitochondrial | ECA40 | PP18 | Placental protein 18 | ||
| Type: | PROTEIN | ||
| Mol. Mass.: | 44297.81 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | ChEMBL_109874 | ||
| Residue: | 392 | ||
| Sequence: |
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| BDBM50607314 | |||
| n/a | |||
| Name | BDBM50607314 | ||
| Synonyms: | CHEMBL5219349 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C23H14F3N3O3 | ||
| Mol. Mass. | 437.3708 | ||
| SMILES | Cc1ccccc1Oc1cc(-n2c(=O)cc([nH]c2=O)C(F)(F)F)c2ccccc2c1C#N |(2,5.77,;3.34,5,;4.67,5.77,;6,5,;6,3.47,;4.68,2.69,;3.34,3.46,;2,2.69,;2,1.15,;.67,.39,;.67,-1.15,;-.66,-1.92,;-2,-1.15,;-2,.39,;-3.33,-1.92,;-3.33,-3.46,;-2,-4.23,;-.66,-3.46,;.67,-4.23,;-4.66,-4.23,;-4.67,-5.77,;-6,-3.46,;-6,-5,;2.01,-1.93,;2.02,-3.47,;3.36,-4.23,;4.68,-3.45,;4.67,-1.91,;3.34,-1.15,;3.34,.38,;4.67,1.15,;6,1.92,)| | ||
| Structure | 
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