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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Branched-chain-amino-acid aminotransferase, cytosolic | ||
| Ligand | BDBM50607297 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2262570 (CHEMBL5217581) | ||
| IC50 | 150±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, cytosolic | |||
| Name: | Branched-chain-amino-acid aminotransferase, cytosolic | ||
| Synonyms: | BCAT1 | BCAT1_HUMAN | BCT1 | Branched-chain-amino-acid transferase | ECA39 | ||
| Type: | PROTEIN | ||
| Mol. Mass.: | 42957.10 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | ChEMBL_1516919 | ||
| Residue: | 386 | ||
| Sequence: |
| ||
| BDBM50607297 | |||
| n/a | |||
| Name | BDBM50607297 | ||
| Synonyms: | CHEMBL5220319 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C20H15F2N3O4 | ||
| Mol. Mass. | 399.3476 | ||
| SMILES | COc1cc(C#N)c(Oc2ccccc2C)cc1-n1c(=O)cc([nH]c1=O)C(F)F |(3.34,-4.24,;2.01,-3.47,;2.01,-1.93,;3.34,-1.15,;3.33,.38,;4.67,1.15,;6,1.92,;2,1.15,;2,2.69,;3.33,3.46,;4.67,2.69,;6,3.47,;6,5,;4.66,5.77,;3.33,5,;2,5.77,;.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,;-4.67,-4.23,;-4.67,-5.77,;-6,-3.46,)| | ||
| Structure | 
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