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Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50437376
Substrate
n/a
Meas. Tech.
ChEMBL_972632 (CHEMBL2410612)
IC50
8.1±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:
DGAT1_MOUSE | Dgat | Dgat1 | Diacyl Glycerolacyltransferase 1 (DGAT-1) | Diacylglycerol O-acyltransferase 1 (DGAT1) | Diglyceride acyltransferase
Type:
Enzyme
Mol. Mass.:
56810.61
Organism:
Mus musculus (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:
BDBM50437376
Synonyms:
CHEMBL2408634
Type:
Small organic molecule
Emp. Form.:
C24H22N4O3
Mol. Mass.:
414.4565
SMILES:
OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccccc2[nH]1 |r,wU:6.9,3.2,(18.34,-7.94,;19.12,-6.61,;20.66,-6.61,;18.34,-5.27,;19.11,-3.93,;18.34,-2.59,;16.81,-2.61,;16.03,-3.94,;16.8,-5.26,;16.03,-1.28,;14.49,-1.29,;13.71,.06,;12.18,.05,;11.42,-1.29,;12.19,-2.62,;13.72,-2.62,;9.88,-1.29,;9.1,.06,;7.57,.05,;6.8,-1.28,;7.57,-2.62,;9.11,-2.62,;5.26,-1.28,;4.36,-.04,;2.89,-.51,;1.56,.26,;.23,-.51,;.23,-2.05,;1.56,-2.82,;2.89,-2.06,;4.36,-2.53,)|
Structure:
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