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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Diacylglycerol O-acyltransferase 1' and Ligand = 'BDBM50341762'   
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))
BDBM50341762
PNG
(2-Phenyl-5-trifluoromethyloxazole-4-carboxylic Aci...)
Show SMILES COCCN(C)c1ccc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cc1
Show InChI InChI=1S/C21H20F3N3O3/c1-27(12-13-29-2)16-10-8-15(9-11-16)25-19(28)17-18(21(22,23)24)30-20(26-17)14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3,(H,25,28)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 325n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in baculovirus infected insect cells after 1 hr using palmitoyl-1-14C-coenzyme A by phospholipid flashplate assay


J Med Chem 54: 2433-46 (2011)


Article DOI: 10.1021/jm101580m
BindingDB Entry DOI: 10.7270/Q2S182TQ
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50341762
PNG
(2-Phenyl-5-trifluoromethyloxazole-4-carboxylic Aci...)
Show SMILES COCCN(C)c1ccc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cc1
Show InChI InChI=1S/C21H20F3N3O3/c1-27(12-13-29-2)16-10-8-15(9-11-16)25-19(28)17-18(21(22,23)24)30-20(26-17)14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3,(H,25,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.80E+3n/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in CHO-K1 cells after 1 hr using palmitoyl-1-14C-coenzyme A by phospholipid flashplate assay


J Med Chem 54: 2433-46 (2011)


Article DOI: 10.1021/jm101580m
BindingDB Entry DOI: 10.7270/Q2S182TQ
More data for this
Ligand-Target Pair