Reaction Details | |||
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Target | Diacylglycerol O-acyltransferase 1 | ||
Ligand | BDBM50341780 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_743546 (CHEMBL1767987) | ||
IC50 | 128±n/a nM | ||
Citation | Qian, Y; Wertheimer, SJ; Ahmad, M; Cheung, AW; Firooznia, F; Hamilton, MM; Hayden, S; Li, S; Marcopulos, N; McDermott, L; Tan, J; Yun, W; Guo, L; Pamidimukkala, A; Chen, Y; Huang, KS; Ramsey, GB; Whittard, T; Conde-Knape, K; Taub, R; Rondinone, CM; Tilley, J; Bolin, D Discovery of orally active carboxylic acid derivatives of 2-phenyl-5-trifluoromethyloxazole-4-carboxamide as potent diacylglycerol acyltransferase-1 inhibitors for the potential treatment of obesity and diabetes. J Med Chem54:2433-46 (2011) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Diacylglycerol O-acyltransferase 1 | |||
Name: | Diacylglycerol O-acyltransferase 1 | ||
Synonyms: | ACAT-related gene product 1 | AGRP1 | Acyl coA-diacylglycerol acyl transferase 1 (DGAT1) | DGAT | DGAT1 | DGAT1_HUMAN | Diacylglycerol Acyltransferase (DGAT1) | Diacylglycerol O-acyltransferase 1 | Diacylglycerol O-acyltransferase 1 (DGAT1) | Diglyceride acyltransferase | ||
Type: | Protein | ||
Mol. Mass.: | 55297.82 | ||
Organism: | Homo sapiens (Human) | ||
Description: | O75907 | ||
Residue: | 488 | ||
Sequence: |
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BDBM50341780 | |||
n/a | |||
Name | BDBM50341780 | ||
Synonyms: | 4-{5-[(2-Phenyl-5-trifluoromethyloxazole-4-carbonyl)amino]-3',4',5',6'-tetrahydro-2'H-[2,4']bipyridinyl-1'-carbonyl}-transcyclohexanecarboxylic Acid | CHEMBL1766808 | ||
Type | Small organic molecule | ||
Emp. Form. | C29H29F3N4O5 | ||
Mol. Mass. | 570.5596 | ||
SMILES | OC(=O)[C@H]1CC[C@@H](CC1)C(=O)N1CCC(CC1)c1ccc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cn1 |r,wU:6.9,wD:3.2,(20.62,-31.22,;19.28,-30.47,;19.26,-28.93,;17.96,-31.25,;16.61,-30.5,;15.28,-31.29,;15.32,-32.82,;16.65,-33.57,;17.97,-32.79,;14,-33.61,;14.02,-35.14,;12.65,-32.86,;11.33,-33.65,;9.99,-32.9,;9.97,-31.36,;11.28,-30.56,;12.63,-31.32,;8.63,-30.62,;8.6,-29.08,;7.25,-28.33,;5.93,-29.12,;4.58,-28.38,;3.27,-29.18,;3.32,-30.72,;1.91,-28.45,;.69,-29.41,;-.59,-28.55,;-.17,-27.06,;1.38,-27,;2.14,-25.66,;3.68,-25.66,;1.37,-24.34,;2.77,-24.26,;-1.94,-29.29,;-3.26,-28.48,;-4.61,-29.23,;-4.65,-30.76,;-3.33,-31.57,;-1.98,-30.83,;5.96,-30.66,;7.31,-31.41,)| | ||
Structure |