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Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50437385
Substrate
n/a
Meas. Tech.
ChEMBL_972632 (CHEMBL2410612)
IC50
36±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:
BDBM50437385
Synonyms:
CHEMBL2408621
Type:
Small organic molecule
Emp. Form.:
C25H21N5O3
Mol. Mass.:
439.4659
SMILES:
OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccc(cc2[nH]1)C#N |r,wU:6.9,3.2,(19.65,-30.15,;20.42,-28.82,;21.96,-28.82,;19.65,-27.48,;20.42,-26.15,;19.65,-24.81,;18.11,-24.83,;17.34,-26.15,;18.11,-27.48,;17.34,-23.49,;15.8,-23.5,;15.02,-22.16,;13.48,-22.17,;12.72,-23.5,;13.49,-24.83,;15.03,-24.83,;11.19,-23.5,;10.41,-22.16,;8.87,-22.17,;8.11,-23.5,;8.88,-24.83,;10.42,-24.83,;6.57,-23.5,;5.66,-24.74,;4.2,-24.27,;2.87,-25.03,;1.54,-24.27,;1.54,-22.73,;2.87,-21.95,;4.2,-22.73,;5.66,-22.25,;.2,-21.96,;-1.14,-21.19,)|
Structure:
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