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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Branched-chain-amino-acid aminotransferase, cytosolic | ||
| Ligand | BDBM50607316 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2262570 (CHEMBL5217581) | ||
| IC50 | 180±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: |
| ||
| BDBM50607316 | |||
| n/a | |||
| Name | BDBM50607316 | ||
| Synonyms: | CHEMBL5219436 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C28H19ClF2N2O3 | ||
| Mol. Mass. | 504.912 | ||
| SMILES | Cc1ccccc1Oc1cc(-n2c(=O)cc([nH]c2=O)C(F)(F)c2ccccc2)c2ccccc2c1Cl |(3.33,5.67,;4.67,4.9,;6,5.67,;7.33,4.9,;7.34,3.36,;6.01,2.59,;4.67,3.36,;3.33,2.59,;3.33,1.05,;2,.28,;2,-1.26,;.67,-2.03,;-.67,-1.26,;-.67,.28,;-2,-2.03,;-2,-3.57,;-.67,-4.34,;.67,-3.57,;2,-4.34,;-3.33,-4.34,;-4.1,-5.67,;-2.56,-5.67,;-4.67,-3.56,;-6.01,-4.33,;-7.34,-3.56,;-7.34,-2.02,;-6.01,-1.26,;-4.67,-2.02,;3.34,-2.03,;3.35,-3.58,;4.69,-4.33,;6.01,-3.55,;6,-2.01,;4.67,-1.25,;4.67,.28,;6,1.05,)| | ||
| Structure | 
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