Reaction Details | |||
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Target | Acetyl-CoA carboxylase 2 | ||
Ligand | BDBM50350748 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_762997 (CHEMBL1820814) | ||
IC50 | 89±n/a nM | ||
Citation | Bengtsson, C; Blaho, S; Saitton, DB; Brickmann, K; Broddefalk, J; Davidsson, O; Drmota, T; Folmer, R; Hallberg, K; Hallén, S; Hovland, R; Isin, E; Johannesson, P; Kull, B; Larsson, LO; Löfgren, L; Nilsson, KE; Noeske, T; Oakes, N; Plowright, AT; Schnecke, V; Ståhlberg, P; Sörme, P; Wan, H; Wellner, E; Oster, L Design of small molecule inhibitors of acetyl-CoA carboxylase 1 and 2 showing reduction of hepatic malonyl-CoA levels in vivo in obese Zucker rats. Bioorg Med Chem19:3039-53 (2011) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Acetyl-CoA carboxylase 2 | |||
Name: | Acetyl-CoA carboxylase 2 | ||
Synonyms: | ACACB | ACACB_HUMAN | ACC-beta | ACC2 | ACCB | Acetyl-CoA carboxylase | Acetyl-CoA carboxylase 2 | Acetyl-CoA carboxylase 2 (ACC) | Acetyl-CoA carboxylase 2 (ACC2) | ||
Type: | Protein | ||
Mol. Mass.: | 276535.21 | ||
Organism: | Homo sapiens (Human) | ||
Description: | O00763 | ||
Residue: | 2458 | ||
Sequence: |
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BDBM50350748 | |||
n/a | |||
Name | BDBM50350748 | ||
Synonyms: | CHEMBL1818297 | ||
Type | Small organic molecule | ||
Emp. Form. | C30H45N5O3 | ||
Mol. Mass. | 523.71 | ||
SMILES | CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(nc3ccccc23)N2CCC(CCN)CC2)CC1 |r,wU:9.8,wD:12.12,(42.97,-14.06,;44.3,-13.29,;44.3,-11.75,;42.96,-12.52,;45.64,-14.05,;46.97,-13.28,;46.97,-11.74,;48.31,-14.05,;48.31,-15.59,;49.65,-16.35,;50.98,-15.58,;52.31,-16.35,;52.31,-17.89,;53.64,-18.67,;53.64,-20.21,;54.97,-20.98,;56.31,-20.21,;54.97,-22.52,;56.3,-23.28,;56.31,-24.82,;54.97,-25.6,;53.63,-24.82,;52.31,-25.58,;50.99,-24.82,;50.99,-23.28,;52.32,-22.52,;53.64,-23.29,;57.63,-25.58,;57.64,-27.13,;58.97,-27.89,;60.3,-27.12,;61.64,-27.89,;61.65,-29.43,;62.98,-30.19,;60.3,-25.57,;58.96,-24.81,;50.98,-18.66,;49.65,-17.89,)| | ||
Structure |