Reaction Details Report a problem with these data
Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50117150
Substrate
n/a
Meas. Tech.
ChEMBL_1513967 (CHEMBL3616153)
IC50
105±n/a nM
Citation
 Pagire, SH; Pagire, HS; Lee, GB; Han, SJ; Kwak, HJ; Kim, JY; Kim, KY; Rhee, SD; Ryu, JI; Song, JS; Bae, MA; Park, MJ; Kim, D; Lee, DH; Ahn, JH Discovery and optimization of adamantane carboxylic acid derivatives as potent diacylglycerol acyltransferase 1 inhibitors for the potential treatment of obesity and diabetes. Eur J Med Chem 101:716-35 (2015) [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:
BDBM50117150
Synonyms:
CHEMBL3613355
Type:
Small organic molecule
Emp. Form.:
C35H38N2O5
Mol. Mass.:
566.6866
SMILES:
Cc1cccc(C)c1-c1ccc(cc1)C(=O)NCCNC(=O)c1ccc(O[C@H]2C3CC4CC2C[C@](C4)(C3)C(O)=O)cc1 |r,wU:27.28,wD:34.41,TLB:27:28:35:31.32.33,26:27:35.30.31:33,THB:29:30:33:36.28.27,29:28:35.30.31:33,27:32:35:36.29.28,(-19.36,6.99,;-19.53,8.21,;-20.96,8.79,;-21.18,10.31,;-19.97,11.26,;-18.54,10.69,;-17.57,11.45,;-18.32,9.17,;-16.89,8.59,;-15.68,9.54,;-14.25,8.97,;-14.03,7.44,;-15.25,6.49,;-16.67,7.07,;-12.61,6.87,;-11.63,7.62,;-12.39,5.34,;-10.96,4.76,;-10.75,3.24,;-9.32,2.66,;-9.1,1.13,;-10.07,.37,;-7.68,.56,;-7.46,-.97,;-6.03,-1.54,;-4.82,-.59,;-3.39,-1.17,;-2.19,-.22,;-1.2,1.02,;-1.2,2.69,;.12,3.07,;-1,2.05,;-.95,.32,;.56,-.22,;1.56,1.02,;1.56,2.59,;.34,.44,;3.07,1.15,;3.59,2.27,;3.78,.15,;-5.03,.93,;-6.46,1.51,)|
Structure:
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