Reaction Details | |||
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Target | Diacylglycerol O-acyltransferase 1 | ||
Ligand | BDBM50523580 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1890736 (CHEMBL4392490) | ||
IC50 | 2.0±n/a nM | ||
Citation | Yu, Y; Wu, Z; Shi, ZC; He, S; Lai, Z; Cernak, TA; Vachal, P; Liu, M; Liu, J; Hong, Q; Jian, T; Guiadeen, D; Krikorian, A; Sperbeck, DM; Verras, A; Sonatore, LM; Murphy, BA; Wiltsie, J; Chung, CC; Gorski, JN; Liu, J; Xiao, J; Wolff, M; Tong, SX; Madeira, M; Karanam, BV; Shen, DM; Balkovec, JM; De Vita, RJ; Pinto, S; Nargund, RP Accelerating the discovery of DGAT1 inhibitors through the application of parallel medicinal chemistry (PMC). Bioorg Med Chem Lett29:1380-1385 (2019) [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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BDBM50523580 | |||
n/a | |||
Name | BDBM50523580 | ||
Synonyms: | CHEMBL4572398 | ||
Type | Small organic molecule | ||
Emp. Form. | C26H29F3N4O3 | ||
Mol. Mass. | 502.5287 | ||
SMILES | OC(=O)C[C@H]1CC[C@@H](CC1)OC1CCN(CC1)c1ccc(cn1)-c1nc2cc(ccc2[nH]1)C(F)(F)F |r,wU:7.10,wD:4.3,(48.94,-42.6,;48.18,-41.26,;46.64,-41.25,;48.96,-39.93,;48.2,-38.59,;48.98,-37.26,;48.22,-35.92,;46.69,-35.92,;45.91,-37.24,;46.66,-38.58,;45.92,-34.59,;44.38,-34.58,;43.61,-35.91,;42.08,-35.9,;41.32,-34.57,;42.08,-33.24,;43.62,-33.25,;39.78,-34.56,;39.01,-33.23,;37.47,-33.23,;36.7,-34.56,;37.47,-35.9,;39.01,-35.9,;35.17,-34.56,;34.26,-33.31,;32.79,-33.78,;31.46,-33.02,;30.13,-33.79,;30.13,-35.34,;31.46,-36.11,;32.79,-35.33,;34.26,-35.81,;28.79,-33.02,;28.79,-31.48,;27.46,-33.79,;27.45,-32.25,)| | ||
Structure |