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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 = 'BDBM50020065'   
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


(Mus musculus (mouse))
BDBM50020065
PNG
(CHEMBL3287895)
Show SMILES CCC1CN(C(=O)Nc2ccccc2)c2ccc(cc2O1)-c1cnc(OCC(C)(C)C(O)=O)nc1
Show InChI InChI=1S/C26H28N4O5/c1-4-20-15-30(25(33)29-19-8-6-5-7-9-19)21-11-10-17(12-22(21)35-20)18-13-27-24(28-14-18)34-16-26(2,3)23(31)32/h5-14,20H,4,15-16H2,1-3H3,(H,29,33)(H,31,32)
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Article
PubMed
n/an/a 310n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse DGAT1 expressed in Sf9 insect cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-CoA substrate by scintillation counting an...


ACS Med Chem Lett 5: 544-9 (2014)


Article DOI: 10.1021/ml400527n
BindingDB Entry DOI: 10.7270/Q2KS6T3C
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50020065
PNG
(CHEMBL3287895)
Show SMILES CCC1CN(C(=O)Nc2ccccc2)c2ccc(cc2O1)-c1cnc(OCC(C)(C)C(O)=O)nc1
Show InChI InChI=1S/C26H28N4O5/c1-4-20-15-30(25(33)29-19-8-6-5-7-9-19)21-11-10-17(12-22(21)35-20)18-13-27-24(28-14-18)34-16-26(2,3)23(31)32/h5-14,20H,4,15-16H2,1-3H3,(H,29,33)(H,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 640n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in Sf9 insect cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-CoA substrate by scintillation counting an...


ACS Med Chem Lett 5: 544-9 (2014)


Article DOI: 10.1021/ml400527n
BindingDB Entry DOI: 10.7270/Q2KS6T3C
More data for this
Ligand-Target Pair