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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 501.5
BDBM50312403

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

Found 3 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))
BDBM50312403
PNG
(2-(4-((5-(Benzofuran-2-yl)-4-(4-methoxyphenyl)thia...)
Show SMILES COc1ccc(cc1)-c1nc(COc2ccc(OCC(O)=O)c(C)c2)sc1-c1cc2ccccc2o1
Show InChI InChI=1S/C28H23NO6S/c1-17-13-21(11-12-22(17)34-16-26(30)31)33-15-25-29-27(18-7-9-20(32-2)10-8-18)28(36-25)24-14-19-5-3-4-6-23(19)35-24/h3-14H,15-16H2,1-2H3,(H,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50312403
PNG
(2-(4-((5-(Benzofuran-2-yl)-4-(4-methoxyphenyl)thia...)
Show SMILES COc1ccc(cc1)-c1nc(COc2ccc(OCC(O)=O)c(C)c2)sc1-c1cc2ccccc2o1
Show InChI InChI=1S/C28H23NO6S/c1-17-13-21(11-12-22(17)34-16-26(30)31)33-15-25-29-27(18-7-9-20(32-2)10-8-18)28(36-25)24-14-19-5-3-4-6-23(19)35-24/h3-14H,15-16H2,1-2H3,(H,30,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50312403
PNG
(2-(4-((5-(Benzofuran-2-yl)-4-(4-methoxyphenyl)thia...)
Show SMILES COc1ccc(cc1)-c1nc(COc2ccc(OCC(O)=O)c(C)c2)sc1-c1cc2ccccc2o1
Show InChI InChI=1S/C28H23NO6S/c1-17-13-21(11-12-22(17)34-16-26(30)31)33-15-25-29-27(18-7-9-20(32-2)10-8-18)28(36-25)24-14-19-5-3-4-6-23(19)35-24/h3-14H,15-16H2,1-2H3,(H,30,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 50n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair