Reaction Details Report a problem with these data
Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50437386
Substrate
n/a
Meas. Tech.
ChEMBL_972634 (CHEMBL2410614)
IC50
1.3±n/a nM
Citation
 He, S; Hong, Q; Lai, Z; Wu, Z; Yu, Y; Kim, DW; Ting, PC; Kuethe, JT; Yang, GX; Jian, T; Liu, J; Guiadeen, D; Krikorian, AD; Sperbeck, DM; Sonatore, LM; Wiltsie, J; Chung, CC; Gibson, JT; Lisnock, J; Murphy, BA; Gorski, JN; Liu, J; Chen, D; Chen, X; Wolff, M; Tong, SX; Madeira, M; Karanam, BV; Shen, DM; Balkovec, JM; Pinto, S; Nargund, RP; DeVita, RJ Potent DGAT1 Inhibitors in the Benzimidazole Class with a Pyridyl-oxy-cyclohexanecarboxylic Acid Moiety. ACS Med Chem Lett 4:773-8 (2013) [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:
BDBM50437386
Synonyms:
CHEMBL2408620
Type:
Small organic molecule
Emp. Form.:
C24H20F2N4O3
Mol. Mass.:
450.4374
SMILES:
OC(=O)[C@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2cc(F)c(F)cc2[nH]1 |r,wU:6.9,wD:3.2,(42.85,-23.43,;43.62,-22.1,;45.16,-22.1,;42.85,-20.75,;43.62,-19.42,;42.85,-18.08,;41.32,-18.1,;40.54,-19.42,;41.31,-20.75,;40.54,-16.77,;39,-16.77,;38.22,-15.43,;36.69,-15.44,;35.92,-16.77,;36.69,-18.11,;38.23,-18.11,;34.39,-16.77,;33.61,-15.43,;32.08,-15.44,;31.31,-16.77,;32.08,-18.11,;33.62,-18.11,;29.77,-16.77,;28.87,-15.52,;27.4,-16,;26.07,-15.22,;24.74,-16,;23.41,-15.23,;24.74,-17.54,;23.41,-18.31,;26.07,-18.3,;27.4,-17.54,;28.87,-18.02,)|
Structure:
Search PDB for entries with ligand similarity: