Reaction Details Report a problem with these data
Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50009391
Substrate
n/a
Meas. Tech.
ChEMBL_1363771 (CHEMBL3294188)
IC50
37±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:
BDBM50009391
Synonyms:
CHEMBL3233872
Type:
Small organic molecule
Emp. Form.:
C29H28N2O3
Mol. Mass.:
452.5442
SMILES:
OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2n(ccc2c1)C(=O)Nc1ccccc1 |r,wU:7.10,wD:4.3,(65.24,-4.33,;65.41,-2.8,;66.81,-2.18,;64.16,-1.9,;62.75,-2.52,;61.51,-1.61,;60.09,-2.24,;59.94,-3.76,;61.19,-4.67,;62.59,-4.05,;58.53,-4.39,;58.37,-5.92,;56.96,-6.55,;55.72,-5.64,;55.88,-4.12,;57.28,-3.49,;54.31,-6.26,;53.07,-5.35,;51.66,-5.98,;51.5,-7.51,;50.25,-8.42,;50.73,-9.89,;52.28,-9.89,;52.75,-8.42,;54.15,-7.79,;48.79,-7.95,;48.46,-6.44,;47.64,-8.98,;46.18,-8.51,;45.86,-7,;44.4,-6.53,;43.25,-7.56,;43.58,-9.07,;45.04,-9.54,)|
Structure:
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