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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Aspartate aminotransferase, cytoplasmic | ||
| Ligand | BDBM50607315 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2262599 (CHEMBL5217610) | ||
| IC50 | >50000±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 | ||
| Aspartate aminotransferase, cytoplasmic | |||
| Name: | Aspartate aminotransferase, cytoplasmic | ||
| Synonyms: | 2.6.1.1 | 2.6.1.3 | AATC_HUMAN | Aspartate aminotransferase, cytoplasmic | Cysteine aminotransferase, cytoplasmic | Cysteine transaminase, cytoplasmic | GOT1 | Glutamate oxaloacetate transaminase 1 | Transaminase A | cAspAT | cCAT | ||
| Type: | PROTEIN | ||
| Mol. Mass.: | 46249.45 | ||
| Organism: | Homo sapiens | ||
| Description: | ChEMBL_105469 | ||
| Residue: | 413 | ||
| Sequence: |
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| BDBM50607315 | |||
| n/a | |||
| Name | BDBM50607315 | ||
| Synonyms: | BAY-069 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C22H14ClF3N2O3 | ||
| Mol. Mass. | 446.806 | ||
| SMILES | Cc1ccccc1Oc1cc(-n2c(=O)cc([nH]c2=O)C(F)(F)F)c2ccccc2c1Cl |(20.53,-12.27,;19.26,-11.42,;19.36,-9.88,;18.08,-9.03,;16.7,-9.71,;16.59,-11.25,;17.87,-12.1,;17.76,-13.64,;16.38,-14.32,;15.11,-13.47,;13.73,-14.15,;12.45,-13.3,;12.56,-11.76,;13.94,-11.08,;11.28,-10.9,;9.9,-11.59,;9.79,-13.13,;11.07,-13.98,;10.96,-15.52,;8.45,-11.09,;8.55,-9.56,;7.17,-10.24,;7.29,-12.11,;13.62,-15.7,;12.24,-16.38,;12.13,-17.91,;13.41,-18.77,;14.79,-18.09,;14.9,-16.55,;16.28,-15.87,;17.55,-16.72,)| | ||
| Structure | 
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