Reaction Details Report a problem with these data
Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50020076
Substrate
n/a
Meas. Tech.
ChEMBL_1363772 (CHEMBL3294189)
IC50
5200±n/a nM
Citation
 Zhou, G; Zorn, N; Ting, P; Aslanian, R; Lin, M; Cook, J; Lachowicz, J; Lin, A; Smith, M; Hwa, J; van Heek, M; Walker, S Development of novel benzomorpholine class of diacylglycerol acyltransferase I inhibitors. ACS Med Chem Lett 5:544-9 (2014) [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:
BDBM50020076
Synonyms:
CHEMBL3287880
Type:
Small organic molecule
Emp. Form.:
C29H31N3O4
Mol. Mass.:
485.5741
SMILES:
Nc1ccccc1NC(=O)N1CCOc2cc(ccc12)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:29.33,wD:26.29,(2.65,-29.35,;3.42,-28.02,;2.65,-26.68,;3.42,-25.35,;4.96,-25.35,;5.73,-26.68,;4.96,-28.02,;5.73,-29.35,;7.27,-29.35,;8.04,-28.02,;8.04,-30.68,;7.27,-32.02,;8.04,-33.35,;9.58,-33.35,;10.35,-32.02,;11.89,-32.02,;12.66,-30.68,;11.89,-29.35,;10.35,-29.35,;9.58,-30.68,;14.2,-30.68,;14.97,-32.02,;16.51,-32.02,;17.28,-30.68,;16.51,-29.35,;14.97,-29.35,;18.82,-30.68,;19.59,-32.02,;21.13,-32.02,;21.9,-30.68,;23.44,-30.68,;24.21,-32.02,;23.44,-33.35,;25.75,-32.02,;21.13,-29.35,;19.59,-29.35,)|
Structure:
Search PDB for entries with ligand similarity: