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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 472.9
BDBM50436846

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50436846
PNG
(CHEMBL2403620)
Show SMILES CC(C)[C@H](NC(=O)c1ncc(s1)-c1ccc(NC(=O)Nc2ccccc2Cl)cc1)C(O)=O |r|
Show InChI InChI=1S/C22H21ClN4O4S/c1-12(2)18(21(29)30)27-19(28)20-24-11-17(32-20)13-7-9-14(10-8-13)25-22(31)26-16-6-4-3-5-15(16)23/h3-12,18H,1-2H3,(H,27,28)(H,29,30)(H2,25,26,31)/t18-/m0/s1
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PC sid
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Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Piramal Enterprises Limited

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using [14C]-oleoylCoA/diolein as substrate assessed as formation of [14C]triglyceride after 10 mins by scintillation counti...


Eur J Med Chem 65: 337-47 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.006
BindingDB Entry DOI: 10.7270/Q2QJ7JPW
More data for this
Ligand-Target Pair