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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Acetyl-CoA carboxylase 1 | ||
| Ligand | BDBM50332559 | ||
| 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: |
| ||
| BDBM50332559 | |||
| n/a | |||
| Name | BDBM50332559 | ||
| Synonyms: | CHEMBL1630518 | N-(3-(5-(3-(2-cyclopropylethoxy)benzyl)-1,3-dioxan-2-yl)propyl)acetamide | ||
| Type | Small organic molecule | ||
| Emp. Form. | C21H31NO4 | ||
| Mol. Mass. | 361.4751 | ||
| SMILES | CC(=O)NCCCC1OCC(Cc2cccc(OCCC3CC3)c2)CO1 |(27.94,3.91,;26.61,3.14,;26.61,1.6,;25.28,3.91,;23.94,3.14,;22.61,3.91,;21.27,3.14,;19.94,3.91,;18.61,3.14,;17.28,3.9,;17.28,5.45,;15.94,6.21,;14.61,5.44,;13.27,6.2,;11.94,5.43,;11.94,3.88,;13.28,3.11,;13.28,1.57,;11.94,.8,;11.94,-.74,;10.61,-1.51,;9.07,-1.51,;9.84,-2.84,;14.61,3.89,;18.6,6.22,;19.94,5.45,)| | ||
| Structure | 
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