Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50437374
Substrate
n/a
Meas. Tech.
ChEMBL_972632 (CHEMBL2410612)
IC50
3.4±n/a nM
Citation
 He, SHong, QLai, ZWu, ZYu, YKim, DWTing, PCKuethe, JTYang, GXJian, TLiu, JGuiadeen, DKrikorian, ADSperbeck, DMSonatore, LMWiltsie, JChung, CCGibson, JTLisnock, JMurphy, BAGorski, JNLiu, JChen, DChen, XWolff, MTong, SXMadeira, MKaranam, BVShen, DMBalkovec, JMPinto, SNargund, RPDeVita, 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:
BDBM50437374
Synonyms:
CHEMBL2408470
Type:
Small organic molecule
Emp. Form.:
C24H21FN4O3
Mol. Mass.:
432.4469
SMILES:
OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccc(F)cc2[nH]1 |r,wU:6.9,3.2,(20.33,-15.61,;21.11,-14.28,;22.65,-14.28,;20.33,-12.94,;21.1,-11.6,;20.33,-10.26,;18.8,-10.28,;18.03,-11.61,;18.79,-12.93,;18.03,-8.95,;16.49,-8.95,;15.71,-7.62,;14.17,-7.63,;13.41,-8.96,;14.18,-10.29,;15.72,-10.29,;11.87,-8.96,;11.09,-7.62,;9.56,-7.62,;8.79,-8.95,;9.56,-10.29,;11.1,-10.29,;7.26,-8.95,;6.35,-10.2,;4.88,-9.72,;3.55,-10.48,;2.22,-9.72,;2.22,-8.18,;.89,-7.42,;3.55,-7.4,;4.88,-8.18,;6.35,-7.71,)|
Structure:
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