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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Branched-chain-amino-acid aminotransferase, cytosolic | ||
| Ligand | BDBM50607287 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2262570 (CHEMBL5217581) | ||
| IC50 | 3300±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: |
| ||
| BDBM50607287 | |||
| n/a | |||
| Name | BDBM50607287 | ||
| Synonyms: | CHEMBL5219727 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C13H10ClF3N2O4 | ||
| Mol. Mass. | 350.678 | ||
| SMILES | COc1cc(OC)c(cc1Cl)-n1c(=O)cc([nH]c1=O)C(F)(F)F |(5.33,4.23,;5.33,2.69,;4,1.92,;4,.39,;2.67,-.39,;2.67,-1.93,;4.01,-2.7,;1.33,.39,;1.34,1.93,;2.67,2.69,;2.67,4.23,;0,-.38,;-1.33,.39,;-1.33,1.93,;-2.67,-.38,;-2.67,-1.92,;-1.33,-2.69,;0,-1.92,;1.33,-2.69,;-4,-2.69,;-4,-4.23,;-5.33,-1.92,;-5.33,-3.46,)| | ||
| Structure | 
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