Reaction Details Report a problem with these data
Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50020057
Substrate
n/a
Meas. Tech.
ChEMBL_1363771 (CHEMBL3294188)
IC50
450±n/a nM
Citation
 Zhou, G; Zorn, N; Ting, P; Aslanian, R; Lin, M; Cook, J; Lachowicz, J; Lin, A; Smith, M; Hwa, J; van Heek, M; Walker, S Development of novel benzomorpholine class of diacylglycerol acyltransferase I inhibitors. ACS Med Chem Lett 5:544-9 (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:
BDBM50020057
Synonyms:
CHEMBL3287868
Type:
Small organic molecule
Emp. Form.:
C32H36N2O4
Mol. Mass.:
512.6392
SMILES:
CCCC1CN(C(=O)Nc2ccccc2)c2ccc(cc2O1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:31.35,wD:28.31,(21.83,-1.51,;21.06,-2.85,;19.52,-2.85,;18.75,-4.18,;19.52,-5.51,;18.75,-6.85,;19.52,-8.18,;18.75,-9.51,;21.06,-8.18,;21.83,-9.51,;23.37,-9.51,;24.14,-10.85,;23.37,-12.18,;21.83,-12.18,;21.06,-10.85,;17.21,-6.85,;16.44,-8.18,;14.9,-8.18,;14.13,-6.85,;14.9,-5.51,;16.44,-5.51,;17.21,-4.18,;12.59,-6.85,;11.82,-5.51,;10.28,-5.51,;9.51,-6.85,;10.28,-8.18,;11.82,-8.18,;7.97,-6.85,;7.2,-5.51,;5.66,-5.51,;4.89,-6.85,;3.35,-6.85,;2.58,-5.51,;1.04,-5.51,;3.35,-4.18,;5.66,-8.18,;7.2,-8.18,)|
Structure:
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