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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Acetyl-CoA carboxylase 1 | ||
| Ligand | BDBM50332557 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_695124 (CHEMBL1640872) | ||
| IC50 | >30000±n/a nM | ||
| Citation |  Keil, S; Müller, M; Zoller, G; Haschke, G; Schroeter, K; Glien, M; Ruf, S; Focken, I; Herling, AW; Schmoll, D Identification and synthesis of novel inhibitors of acetyl-CoA carboxylase with in vitro and in vivo efficacy on fat oxidation. J Med Chem53:8679-87 (2010) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Acetyl-CoA carboxylase 1 | |||
| Name: | Acetyl-CoA carboxylase 1 | ||
| Synonyms: | ACACA_RAT | ACC-alpha | Acac | Acaca | Acetyl-CoA carboxylase | Acetyl-CoA carboxylase 1 | Acetyl-CoA carboxylase 1 (ACC1) | ||
| Type: | Protein | ||
| Mol. Mass.: | 265183.92 | ||
| Organism: | Rattus norvegicus (Rat) | ||
| Description: | P11497 | ||
| Residue: | 2345 | ||
| Sequence: |
| ||
| BDBM50332557 | |||
| n/a | |||
| Name | BDBM50332557 | ||
| Synonyms: | CHEMBL1630520 | N-(3-(5-(3-(cyclobutylmethoxy)benzyl)-1,3-dioxan-2-yl)propyl)acetamide | ||
| Type | Small organic molecule | ||
| Emp. Form. | C21H31NO4 | ||
| Mol. Mass. | 361.4751 | ||
| SMILES | CC(=O)NCCCC1OCC(Cc2cccc(OCC3CCC3)c2)CO1 |(58.42,-1,;57.09,-1.77,;57.09,-3.31,;55.76,-1,;54.42,-1.77,;53.09,-1,;51.76,-1.77,;50.42,-1,;49.09,-1.77,;47.76,-1.01,;47.76,.54,;46.42,1.3,;45.09,.53,;43.75,1.29,;42.43,.52,;42.42,-1.02,;43.76,-1.79,;43.76,-3.33,;42.42,-4.1,;42.42,-5.64,;41.34,-6.73,;42.43,-7.82,;43.52,-6.73,;45.09,-1.02,;49.08,1.31,;50.42,.54,)| | ||
| Structure | 
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