Reaction Details Report a problem with these data
Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50394726
Substrate
n/a
Meas. Tech.
ChEMBL_859008 (CHEMBL2168630)
IC50
8±n/a nM
Citation
Yeh, VS; Beno, DW; Brodjian, S; Brune, ME; Cullen, SC; Dayton, BD; Dhaon, MK; Falls, HD; Gao, J; Grihalde, N; Hajduk, P; Hansen, TM; Judd, AS; King, AJ; Klix, RC; Larson, KJ; Lau, YY; Marsh, KC; Mittelstadt, SW; Plata, D; Rozema, MJ; Segreti, JA; Stoner, EJ; Voorbach, MJ; Wang, X; Xin, X; Zhao, G; Collins, CA; Cox, BF; Reilly, RM; Kym, PR; Souers, AJ Identification and preliminary characterization of a potent, safe, and orally efficacious inhibitor of acyl-CoA:diacylglycerol acyltransferase 1. J Med Chem 55:1751-7 (2012) [PubMed] Article
More Info.:
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:
BDBM50394726
Synonyms:
CHEMBL2165819
Type:
Small organic molecule
Emp. Form.:
C20H22N4O2
Mol. Mass.:
350.4143
SMILES:
Nc1c(cnc2ccnn12)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:19.22,wD:16.18,(18.97,-45.21,;18.92,-46.74,;20.23,-47.56,;20.18,-49.09,;18.83,-49.82,;17.52,-49.01,;16.04,-49.44,;15.18,-48.17,;16.11,-46.95,;17.56,-47.47,;21.59,-46.83,;22.9,-47.64,;24.25,-46.91,;24.3,-45.37,;22.99,-44.56,;21.64,-45.29,;25.66,-44.64,;26.97,-45.45,;28.32,-44.72,;28.37,-43.19,;29.73,-42.46,;31.04,-43.26,;30.99,-44.81,;32.39,-42.54,;27.06,-42.37,;25.71,-43.1,)|