Reaction Details Report a problem with these data
Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50437383
Substrate
n/a
Meas. Tech.
ChEMBL_972634 (CHEMBL2410614)
IC50
3.9±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:
Diacylglycerol Acyltransferase (DGAT1) | Acyl coA-diacylglycerol acyl transferase 1 (DGAT1) | ACAT-related gene product 1 | Diglyceride acyltransferase | Diacylglycerol O-acyltransferase 1 | Diacylglycerol O-acyltransferase 1 (DGAT1) | DGAT1_HUMAN | DGAT1 | AGRP1 | DGAT
Type:
Protein
Mol. Mass.:
55297.82
Organism:
Human
Description:
O75907
Residue:
488
Sequence:
MGDRGSSRRRRTGSRPSSHGGGGPAAAEEEVRDAAAGPDVGAAGDAPAPAPNKDGDAGVGSGHWELRCHRLQDSLFSSDSGFSNYRGILNWCVVMLILSNARLFLENLIKYGILVDPIQVVSLFLKDPYSWPAPCLVIAANVFAVAAFQVEKRLAVGALTEQAGLLLHVANLATILCFPAAVVLLVESITPVGSLLALMAHTILFLKLFSYRDVNSWCRRARAKAASAGKKASSAAAPHTVSYPDNLTYRDLYYFLFAPTLCYELNFPRSPRIRKRFLLRRILEMLFFTQLQVGLIQQWMVPTIQNSMKPFKDMDYSRIIERLLKLAVPNHLIWLIFFYWLFHSCLNAVAELMQFGDREFYRDWWNSESVTYFWQNWNIPVHKWCIRHFYKPMLRRGSSKWMARTGVFLASAFFHEYLVSVPLRMFRLWAFTGMMAQIPLAWFVGRFFQGNYGNAAVWLSLIIGQPIAVLMYVHDYYVLNYEAPAAEA
  
Inhibitor
Name:
BDBM50437383
Synonyms:
CHEMBL2408623
Type:
Small organic molecule
Emp. Form.:
C25H21F3N4O4
Mol. Mass.:
498.45
SMILES:
OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccc(OC(F)(F)F)cc2[nH]1 |r,wU:6.9,3.2,(19.56,-40.23,;20.34,-38.9,;21.88,-38.9,;19.56,-37.56,;20.33,-36.23,;19.56,-34.89,;18.03,-34.91,;17.25,-36.23,;18.02,-37.56,;17.26,-33.57,;15.72,-33.58,;14.94,-32.24,;13.4,-32.25,;12.64,-33.58,;13.41,-34.92,;14.95,-34.91,;11.1,-33.58,;10.32,-32.24,;8.79,-32.25,;8.02,-33.58,;8.79,-34.91,;10.33,-34.91,;6.49,-33.58,;5.58,-34.82,;4.11,-34.35,;2.78,-35.11,;1.45,-34.35,;1.45,-32.81,;.12,-32.04,;.11,-30.5,;-1.22,-29.73,;1.45,-29.73,;.1,-28.96,;2.78,-32.03,;4.11,-32.81,;5.58,-32.33,)|
Structure:
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