Reaction Details Report a problem with these data
Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50117186
Substrate
n/a
Meas. Tech.
ChEMBL_1513968 (CHEMBL3616154)
IC50
>10000±n/a nM
Citation
 Pagire, SH; Pagire, HS; Lee, GB; Han, SJ; Kwak, HJ; Kim, JY; Kim, KY; Rhee, SD; Ryu, JI; Song, JS; Bae, MA; Park, MJ; Kim, D; Lee, DH; Ahn, JH Discovery and optimization of adamantane carboxylic acid derivatives as potent diacylglycerol acyltransferase 1 inhibitors for the potential treatment of obesity and diabetes. Eur J Med Chem 101:716-35 (2015) [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:
BDBM50117186
Synonyms:
CHEMBL3613342
Type:
Small organic molecule
Emp. Form.:
C31H31F3N4O5
Mol. Mass.:
596.5968
SMILES:
OC(=O)C12CC3CC(C1)C(Oc1ccc(cc1)C(=O)NCCNC(=O)c1cn(nc1C(F)(F)F)-c1ccccc1)C(C3)C2 |TLB:6:5:42:8.7.9,6:7:4.5.41:42,THB:9:7:4:41.40.42,9:40:4:8.6.7,10:9:4.5.41:42,(3.79,.17,;3.07,1.17,;3.58,2.29,;1.56,1.02,;1.56,2.59,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;-2.19,-.22,;-3.39,-1.16,;-3.17,-2.69,;-4.38,-3.64,;-4.16,-5.17,;-2.73,-5.74,;-1.52,-4.78,;-1.74,-3.26,;-2.5,-7.26,;-3.47,-8.03,;-1.07,-7.83,;-.85,-9.36,;.59,-9.92,;.81,-11.45,;2.24,-12.02,;3.21,-11.25,;2.47,-13.54,;1.36,-14.59,;2.04,-15.98,;3.57,-15.75,;3.83,-14.24,;5.2,-13.55,;5.27,-12.32,;6.23,-14.22,;6.3,-12.99,;1.32,-17.34,;2.04,-18.7,;1.23,-20,;-.31,-19.94,;-1.03,-18.58,;-.22,-17.28,;-.95,.32,;-1,2.05,;.56,-.22,)|
Structure:
Search PDB for entries with ligand similarity: