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Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50437389
Substrate
n/a
Meas. Tech.
ChEMBL_972632 (CHEMBL2410612)
IC50
2.8±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:
BDBM50437389
Synonyms:
CHEMBL3037925
Type:
Small organic molecule
Emp. Form.:
C27H24F3N3O2
Mol. Mass.:
479.49
SMILES:
OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc(cn1)-c1nc2ccc(cc2[nH]1)C(F)(F)F |r,wU:7.10,wD:4.3,(30.36,-37.13,;31.13,-35.8,;32.67,-35.8,;30.36,-34.46,;28.82,-34.46,;28.05,-33.12,;26.5,-33.12,;25.74,-34.46,;26.51,-35.79,;28.05,-35.79,;24.21,-34.46,;23.44,-35.8,;21.9,-35.8,;21.13,-34.47,;21.89,-33.14,;23.43,-33.13,;19.6,-34.47,;18.82,-33.13,;17.28,-33.13,;16.52,-34.46,;17.29,-35.8,;18.82,-35.8,;14.98,-34.46,;14.07,-35.71,;12.61,-35.23,;11.28,-35.99,;9.95,-35.23,;9.95,-33.69,;11.28,-32.91,;12.61,-33.69,;14.07,-33.22,;8.61,-32.93,;8.61,-31.39,;7.28,-33.7,;7.27,-32.15,)|
Structure:
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