Reaction Details Report a problem with these data
Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50502585
Substrate
n/a
Meas. Tech.
ChEMBL_1808007 (CHEMBL4307366)
EC50
12±n/a nM
Citation
 Harrison, TJ; Bauer, D; Berdichevsky, A; Chen, X; Duvadie, R; Hoogheem, B; Hatsis, P; Liu, Q; Mao, J; Miduturu, V; Rocheford, E; Zecri, F; Zessis, R; Zheng, R; Zhu, Q; Streeper, R; Patel, SJ Successful Strategies for Mitigation of a Preclinical Signal for Phototoxicity in a DGAT1 Inhibitor. ACS Med Chem Lett 10:1128-1133 (2019) [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:
BDBM50502585
Synonyms:
CHEMBL4446248
Type:
Small organic molecule
Emp. Form.:
C27H29N3O4
Mol. Mass.:
459.5369
SMILES:
OC(=O)CC12CCC(CC1)(CO2)c1ccc(cc1)-c1ccc(Nc2nnc(o2)C2CCC2)cc1 |(78.38,-14.6,;77.05,-15.37,;77.05,-16.91,;75.72,-14.6,;74.38,-15.37,;74.38,-16.91,;73.06,-17.68,;71.72,-16.91,;71.71,-15.38,;73.05,-14.6,;72.47,-15.57,;73.56,-16.66,;70.39,-17.69,;70.4,-19.23,;69.07,-20,;67.73,-19.23,;67.72,-17.7,;69.05,-16.92,;66.4,-20.01,;66.41,-21.55,;65.07,-22.32,;63.75,-21.55,;62.41,-22.32,;61.08,-21.56,;59.67,-22.19,;58.64,-21.05,;59.41,-19.71,;60.91,-20.03,;58.78,-18.31,;59.33,-16.87,;57.9,-16.32,;57.35,-17.76,;63.73,-20.02,;65.06,-19.24,)|
Structure:
Search PDB for entries with ligand similarity: