Reaction Details Report a problem with these data
Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50385440
Substrate
n/a
Meas. Tech.
ChEMBL_822962 (CHEMBL2038283)
IC50
35±n/a nM
Citation
 McCoull, W; Addie, MS; Birch, AM; Birtles, S; Buckett, LK; Butlin, RJ; Bowker, SS; Boyd, S; Chapman, S; Davies, RD; Donald, CS; Green, CP; Jenner, C; Kemmitt, PD; Leach, AG; Moody, GC; Gutierrez, PM; Newcombe, NJ; Nowak, T; Packer, MJ; Plowright, AT; Revill, J; Schofield, P; Sheldon, C; Stokes, S; Turnbull, AV; Wang, SJ; Whalley, DP; Wood, JM Identification, optimisation and in vivo evaluation of oxadiazole DGAT-1 inhibitors for the treatment of obesity and diabetes. Bioorg Med Chem Lett 22:3873-8 (2012) [PubMed]  Article 
Target
Name:
Diacylglycerol O-acyltransferase 1
Synonyms:
ACAT-related gene product 1 | AGRP1 | Acyl coA-diacylglycerol acyl transferase 1 (DGAT1) | DGAT | DGAT1 | DGAT1_HUMAN | Diacylglycerol Acyltransferase (DGAT1) | Diacylglycerol O-acyltransferase 1 | Diacylglycerol O-acyltransferase 1 (DGAT1) | Diglyceride acyltransferase
Type:
Protein
Mol. Mass.:
55297.82
Organism:
Homo sapiens (Human)
Description:
O75907
Residue:
488
Sequence:
MGDRGSSRRRRTGSRPSSHGGGGPAAAEEEVRDAAAGPDVGAAGDAPAPAPNKDGDAGVGSGHWELRCHRLQDSLFSSDSGFSNYRGILNWCVVMLILSNARLFLENLIKYGILVDPIQVVSLFLKDPYSWPAPCLVIAANVFAVAAFQVEKRLAVGALTEQAGLLLHVANLATILCFPAAVVLLVESITPVGSLLALMAHTILFLKLFSYRDVNSWCRRARAKAASAGKKASSAAAPHTVSYPDNLTYRDLYYFLFAPTLCYELNFPRSPRIRKRFLLRRILEMLFFTQLQVGLIQQWMVPTIQNSMKPFKDMDYSRIIERLLKLAVPNHLIWLIFFYWLFHSCLNAVAELMQFGDREFYRDWWNSESVTYFWQNWNIPVHKWCIRHFYKPMLRRGSSKWMARTGVFLASAFFHEYLVSVPLRMFRLWAFTGMMAQIPLAWFVGRFFQGNYGNAAVWLSLIIGQPIAVLMYVHDYYVLNYEAPAAEA
  
Inhibitor
Name:
BDBM50385440
Synonyms:
CHEMBL2036729
Type:
Small organic molecule
Emp. Form.:
C22H21FN4O4
Mol. Mass.:
424.4249
SMILES:
OC(=O)C1CCC(CC1)c1ccc(NC(=O)c2nnc(Nc3ccccc3F)o2)cc1 |(-8.73,-41.91,;-7.96,-43.25,;-8.74,-44.58,;-6.42,-43.26,;-5.64,-41.92,;-4.1,-41.93,;-3.34,-43.27,;-4.11,-44.6,;-5.65,-44.6,;-1.81,-43.28,;-1.03,-41.95,;.51,-41.96,;1.27,-43.3,;2.81,-43.31,;3.59,-41.98,;2.83,-40.64,;5.14,-41.99,;5.61,-40.53,;7.14,-40.52,;7.62,-41.98,;8.95,-42.75,;10.28,-41.97,;10.27,-40.44,;11.59,-39.66,;12.94,-40.42,;12.95,-41.96,;11.62,-42.74,;11.62,-44.28,;6.38,-42.89,;.5,-44.63,;-1.04,-44.62,)|
Structure:
Search PDB for entries with ligand similarity: