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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor delta' and Ligand = 'BDBM50312469'   
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 delta


(Homo sapiens (Human))
BDBM50312469
PNG
(2-(4-((4-(4-Isopropoxyphenyl)-5-(4-propylphenyl)th...)
Show SMILES CCCc1ccc(cc1)-c1sc(COc2ccc(OCC(O)=O)c(C)c2)nc1-c1ccc(OC(C)C)cc1
Show InChI InChI=1S/C31H33NO5S/c1-5-6-22-7-9-24(10-8-22)31-30(23-11-13-25(14-12-23)37-20(2)3)32-28(38-31)18-35-26-15-16-27(21(4)17-26)36-19-29(33)34/h7-17,20H,5-6,18-19H2,1-4H3,(H,33,34)
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Article
PubMed
n/an/an/an/a 13n/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 by FRET assay


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))
BDBM50312469
PNG
(2-(4-((4-(4-Isopropoxyphenyl)-5-(4-propylphenyl)th...)
Show SMILES CCCc1ccc(cc1)-c1sc(COc2ccc(OCC(O)=O)c(C)c2)nc1-c1ccc(OC(C)C)cc1
Show InChI InChI=1S/C31H33NO5S/c1-5-6-22-7-9-24(10-8-22)31-30(23-11-13-25(14-12-23)37-20(2)3)32-28(38-31)18-35-26-15-16-27(21(4)17-26)36-19-29(33)34/h7-17,20H,5-6,18-19H2,1-4H3,(H,33,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 11n/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
Peroxisome proliferator-activated receptor delta


(Mus musculus)
BDBM50312469
PNG
(2-(4-((4-(4-Isopropoxyphenyl)-5-(4-propylphenyl)th...)
Show SMILES CCCc1ccc(cc1)-c1sc(COc2ccc(OCC(O)=O)c(C)c2)nc1-c1ccc(OC(C)C)cc1
Show InChI InChI=1S/C31H33NO5S/c1-5-6-22-7-9-24(10-8-22)31-30(23-11-13-25(14-12-23)37-20(2)3)32-28(38-31)18-35-26-15-16-27(21(4)17-26)36-19-29(33)34/h7-17,20H,5-6,18-19H2,1-4H3,(H,33,34)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 17n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARdelta by FRET assay


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