Reaction Details Report a problem with these data
Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50009445
Substrate
n/a
Meas. Tech.
ChEMBL_1335970 (CHEMBL3239091)
IC50
12±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:
BDBM50009445
Synonyms:
CHEMBL3233889
Type:
Small organic molecule
Emp. Form.:
C36H40N2O3
Mol. Mass.:
548.7144
SMILES:
Cc1cc(C(=O)NCCCCCc2ccccc2)c2ccc(cc2n1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:31.34,wD:34.38,(9.81,-20.41,;11.14,-21.18,;11.14,-22.72,;12.47,-23.49,;12.48,-25.03,;13.81,-25.8,;11.15,-25.81,;9.81,-25.04,;8.48,-25.81,;7.14,-25.05,;5.81,-25.82,;4.48,-25.05,;3.14,-25.83,;1.81,-25.05,;.48,-25.82,;.49,-27.37,;1.83,-28.13,;3.16,-27.36,;13.81,-22.72,;15.14,-23.48,;16.48,-22.71,;16.47,-21.16,;15.13,-20.4,;13.81,-21.17,;12.47,-20.41,;17.8,-20.38,;19.14,-21.15,;20.47,-20.38,;20.46,-18.83,;19.11,-18.07,;17.79,-18.85,;21.79,-18.05,;21.78,-16.52,;23.11,-15.74,;24.45,-16.51,;25.78,-15.73,;27.12,-16.5,;27.12,-18.03,;28.45,-15.72,;24.45,-18.05,;23.13,-18.82,)|
Structure:
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