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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 396.4
BDBM50263901

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
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50263901
PNG
(2-ethoxy-3-(4-(2-(4-(pyridin-2-yl)-5,6-dihydropyri...)
Show SMILES CCOC(Cc1ccc(OCCN2CCC(=CC2)c2ccccn2)cc1)C(O)=O |c:15|
Show InChI InChI=1S/C23H28N2O4/c1-2-28-22(23(26)27)17-18-6-8-20(9-7-18)29-16-15-25-13-10-19(11-14-25)21-5-3-4-12-24-21/h3-10,12,22H,2,11,13-17H2,1H3,(H,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.30E+3n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in african green monkey CV-1 cotransfected with GAL4 by by dual-glo luciferase reporter gene assay


Bioorg Med Chem Lett 18: 4993-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.020
BindingDB Entry DOI: 10.7270/Q25B029G
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50263901
PNG
(2-ethoxy-3-(4-(2-(4-(pyridin-2-yl)-5,6-dihydropyri...)
Show SMILES CCOC(Cc1ccc(OCCN2CCC(=CC2)c2ccccn2)cc1)C(O)=O |c:15|
Show InChI InChI=1S/C23H28N2O4/c1-2-28-22(23(26)27)17-18-6-8-20(9-7-18)29-16-15-25-13-10-19(11-14-25)21-5-3-4-12-24-21/h3-10,12,22H,2,11,13-17H2,1H3,(H,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.02E+4n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha expressed in african green monkey CV-1 by cotransfected with GAL4 by by dual-glo luciferase reporter gene assay


Bioorg Med Chem Lett 18: 4993-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.020
BindingDB Entry DOI: 10.7270/Q25B029G
More data for this
Ligand-Target Pair