Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | Branched-chain-amino-acid aminotransferase, cytosolic | ||
Ligand | BDBM50607299 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_2262570 (CHEMBL5217581) | ||
IC50 | 792±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: |
| ||
BDBM50607299 | |||
n/a | |||
Name | BDBM50607299 | ||
Synonyms: | CHEMBL5219673 | ||
Type | Small organic molecule | ||
Emp. Form. | C21H14F5N3O4 | ||
Mol. Mass. | 467.3456 | ||
SMILES | COc1cc(C#N)c(Oc2ccccc2C)cc1-n1c(=O)cc([nH]c1=O)C(F)(F)C(F)(F)F |(3.42,-3.47,;2.08,-2.7,;2.08,-1.16,;3.41,-.38,;3.41,1.15,;4.74,1.92,;6.08,2.69,;2.08,1.92,;2.08,3.46,;3.41,4.23,;4.75,3.46,;6.08,4.24,;6.08,5.77,;4.74,6.54,;3.41,5.77,;2.08,6.54,;.75,1.16,;.75,-.38,;-.59,-1.15,;-1.92,-.38,;-1.92,1.16,;-3.26,-1.15,;-3.26,-2.69,;-1.92,-3.46,;-.59,-2.69,;.75,-3.46,;-4.59,-3.46,;-6.08,-3.86,;-5.36,-2.13,;-4.59,-5,;-5.92,-5.77,;-3.26,-5.77,;-4.59,-6.54,)| | ||
Structure |