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Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50437384
Substrate
n/a
Meas. Tech.
ChEMBL_972632 (CHEMBL2410612)
IC50
96±n/a nM
Citation
 He, S; Hong, Q; Lai, Z; Wu, Z; Yu, Y; Kim, DW; Ting, PC; Kuethe, JT; Yang, GX; Jian, T; Liu, J; Guiadeen, D; Krikorian, AD; Sperbeck, DM; Sonatore, LM; Wiltsie, J; Chung, CC; Gibson, JT; Lisnock, J; Murphy, BA; Gorski, JN; Liu, J; Chen, D; Chen, X; Wolff, M; Tong, SX; Madeira, M; Karanam, BV; Shen, DM; Balkovec, JM; Pinto, S; Nargund, RP; DeVita, RJ Potent DGAT1 Inhibitors in the Benzimidazole Class with a Pyridyl-oxy-cyclohexanecarboxylic Acid Moiety. ACS Med Chem Lett 4:773-8 (2013) [PubMed]  Article 
Target
Name:
Diacylglycerol O-acyltransferase 1
Synonyms:
Diacylglycerol O-acyltransferase 1 (DGAT1) | Diacyl Glycerolacyltransferase 1 (DGAT-1) | Diglyceride acyltransferase | DGAT1_MOUSE | Dgat1 | Dgat
Type:
Enzyme
Mol. Mass.:
56810.61
Organism:
Mouse
Description:
In this assay, recombinant mouse DGAT-1 containing an N-terminal His6-epitope tag was produced in the baculovirus expression system.
Residue:
498
Sequence:
MGDRGGAGSSRRRRTGSRVSVQGGSGPKVEEDEVRDAAVSPDLGAGGDAPAPAPAPAHTRDKDGRTSVGDGYWDLRCHRLQDSLFSSDSGFSNYRGILNWCVVMLILSNARLFLENLIKYGILVDPIQVVSLFLKDPYSWPAPCVIIASNIFVVAAFQIEKRLAVGALTEQMGLLLHVVNLATIICFPAAVALLVESITPVGSVFALASYSIMFLKLYSYRDVNLWCRQRRVKAKAVSTGKKVSGAAAQQAVSYPDNLTYRDLYYFIFAPTLCYELNFPRSPRIRKRFLLRRVLEMLFFTQLQVGLIQQWMVPTIQNSMKPFKDMDYSRIIERLLKLAVPNHLIWLIFFYWFFHSCLNAVAELLQFGDREFYRDWWNAESVTYFWQNWNIPVHKWCIRHFYKPMLRHGSSKWVARTGVFLTSAFFHEYLVSVPLRMFRLWAFTAMMAQVPLAWIVGRFFQGNYGNAAVWVTLIIGQPVAVLMYVHDYYVLNYDAPVGV
  
Inhibitor
Name:
BDBM50437384
Synonyms:
CHEMBL2408622
Type:
Small organic molecule
Emp. Form.:
C25H21N5O3
Mol. Mass.:
439.47
SMILES:
OC(=O)[C@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccc(cc2[nH]1)C#N |r,wU:6.9,wD:3.2,(44.1,-31.71,;44.87,-30.37,;46.41,-30.37,;44.1,-29.03,;44.87,-27.7,;44.1,-26.36,;42.56,-26.38,;41.79,-27.7,;42.56,-29.03,;41.79,-25.04,;40.25,-25.05,;39.47,-23.71,;37.93,-23.72,;37.17,-25.05,;37.94,-26.39,;39.48,-26.38,;35.64,-25.05,;34.86,-23.71,;33.32,-23.72,;32.56,-25.05,;33.33,-26.38,;34.86,-26.38,;31.02,-25.05,;30.11,-26.29,;28.65,-25.82,;27.32,-26.58,;25.99,-25.82,;25.99,-24.28,;27.32,-23.5,;28.65,-24.28,;30.11,-23.8,;24.65,-23.51,;23.32,-22.75,)|
Structure:
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