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Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50385438
Substrate
n/a
Meas. Tech.
ChEMBL_822962 (CHEMBL2038283)
IC50
1300±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:
BDBM50385438
Synonyms:
CHEMBL2036744
Type:
Small organic molecule
Emp. Form.:
C23H23FN4O4
Mol. Mass.:
438.4515
SMILES:
OC(=O)Cc1ccc(cc1)C1CCC(CC1)NC(=O)c1nnc(Nc2ccccc2F)o1 |(19.57,-28.79,;18.8,-30.12,;17.25,-30.11,;19.56,-31.46,;21.1,-31.46,;21.88,-30.13,;23.42,-30.14,;24.18,-31.48,;23.41,-32.81,;21.87,-32.8,;25.71,-31.49,;26.49,-30.16,;28.03,-30.17,;28.79,-31.51,;28.02,-32.83,;26.48,-32.83,;30.33,-31.52,;31.11,-30.19,;30.34,-28.85,;32.65,-30.2,;33.12,-28.73,;34.66,-28.73,;35.14,-30.19,;36.46,-30.96,;37.79,-30.18,;37.78,-28.65,;39.11,-27.87,;40.45,-28.63,;40.46,-30.17,;39.13,-30.95,;39.14,-32.49,;33.9,-31.1,)|
Structure:
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