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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Acetyl-CoA carboxylase 1 | ||
| Ligand | BDBM50332561 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_695122 (CHEMBL1640870) | ||
| 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: | ACAC | ACACA | ACACA_HUMAN | ACC-alpha | ACC1 | ACCA | Acetyl-CoA carboxylase 1 | Acetyl-CoA carboxylase 1 (ACC1) | ||
| Type: | Protein | ||
| Mol. Mass.: | 265543.22 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | Q13085 | ||
| Residue: | 2346 | ||
| Sequence: |
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| BDBM50332561 | |||
| n/a | |||
| Name | BDBM50332561 | ||
| Synonyms: | CHEMBL1630517 | N-(3-(5-(6-(cyclopentyloxy)naphthalen-1-yl)-1,3-dioxan-2-yl)propyl)acetamide | ||
| Type | Small organic molecule | ||
| Emp. Form. | C24H31NO4 | ||
| Mol. Mass. | 397.5072 | ||
| SMILES | CC(=O)NCCCC1OCC(CO1)c1cccc2cc(OC3CCCC3)ccc12 |(24.94,-24.48,;24.15,-23.15,;24.9,-21.81,;22.61,-23.18,;21.83,-21.85,;20.29,-21.88,;19.5,-20.55,;17.96,-20.57,;17.2,-21.92,;15.67,-21.94,;14.88,-20.62,;15.62,-19.27,;17.16,-19.25,;13.34,-20.65,;12.55,-19.33,;11,-19.36,;10.26,-20.71,;11.05,-22.02,;10.31,-23.37,;11.1,-24.69,;10.35,-26.03,;8.82,-26.06,;7.89,-24.83,;6.43,-25.33,;6.46,-26.87,;7.93,-27.32,;12.65,-24.66,;13.4,-23.32,;12.6,-22,)| | ||
| Structure | 
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