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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 447.4
BDBM50314740

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

Found 2 hits 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))
BDBM50314740
PNG
(CHEMBL1089507 | N-(2-{[(4-Ethoxyphenyl)carbonyl]am...)
Show SMILES CCOc1ccc(cc1)C(=O)NCCNC(=O)c1cn(nc1C(F)(F)F)-c1cccnc1
Show InChI InChI=1S/C21H20F3N5O3/c1-2-32-16-7-5-14(6-8-16)19(30)26-10-11-27-20(31)17-13-29(15-4-3-9-25-12-15)28-18(17)21(22,23)24/h3-9,12-13H,2,10-11H2,1H3,(H,26,30)(H,27,31)
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Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in baculovirus infected Sf9 cells using [14C]oleoyl-CoA after 15 mins by TLC analysis


Bioorg Med Chem 18: 2785-95 (2010)


Article DOI: 10.1016/j.bmc.2010.01.067
BindingDB Entry DOI: 10.7270/Q23N23J8
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM50314740
PNG
(CHEMBL1089507 | N-(2-{[(4-Ethoxyphenyl)carbonyl]am...)
Show SMILES CCOc1ccc(cc1)C(=O)NCCNC(=O)c1cn(nc1C(F)(F)F)-c1cccnc1
Show InChI InChI=1S/C21H20F3N5O3/c1-2-32-16-7-5-14(6-8-16)19(30)26-10-11-27-20(31)17-13-29(15-4-3-9-25-12-15)28-18(17)21(22,23)24/h3-9,12-13H,2,10-11H2,1H3,(H,26,30)(H,27,31)
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UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.40E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of DGAT1 in mouse C2C12 cells assessed as suppression of [14C]triglyceride accumulation pretreated for 20 mins before [14C]oleic acid chal...


Bioorg Med Chem 18: 2785-95 (2010)


Article DOI: 10.1016/j.bmc.2010.01.067
BindingDB Entry DOI: 10.7270/Q23N23J8
More data for this
Ligand-Target Pair