Reaction Details Report a problem with these data
Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50009443
Substrate
n/a
Meas. Tech.
ChEMBL_1335970 (CHEMBL3239091)
IC50
58±n/a nM
Citation
 Zhou, G; Ting, PC; Wishart, G; Zorn, N; Aslanian, RG; Lin, M; Smith, M; Walker, SS; Cook, J; Van Heek, M; Lachowicz, J Discovery of novel quinoline carboxylic acid series as DGAT1 inhibitors. Bioorg Med Chem Lett 24:1790-4 (2014) [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:
BDBM50009443
Synonyms:
CHEMBL3233887
Type:
Small organic molecule
Emp. Form.:
C33H34N2O3
Mol. Mass.:
506.6347
SMILES:
CC(C)c1cccc(NC(=O)c2ccnc3cc(ccc23)-c2ccc(cc2)[C@H]2CC[C@H](CC(O)=O)CC2)c1 |r,wU:27.29,wD:30.33,(29.37,-6.9,;28.04,-7.67,;26.71,-6.9,;28.04,-9.21,;26.71,-9.98,;26.72,-11.53,;28.05,-12.29,;29.38,-11.51,;30.72,-12.28,;32.05,-11.51,;33.38,-12.28,;32.04,-9.97,;30.71,-9.2,;30.71,-7.65,;32.04,-6.88,;33.38,-7.65,;34.7,-6.87,;36.04,-7.63,;36.05,-9.18,;34.71,-9.96,;33.38,-9.19,;37.37,-6.86,;38.71,-7.63,;40.04,-6.85,;40.03,-5.31,;38.68,-4.55,;37.36,-5.33,;41.35,-4.53,;41.34,-3,;42.68,-2.22,;44.02,-2.98,;45.35,-2.21,;46.69,-2.97,;46.69,-4.51,;48.02,-2.19,;44.02,-4.52,;42.7,-5.3,;29.38,-9.98,)|
Structure:
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