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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 = 'BDBM50312471'   
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))
BDBM50312471
PNG
(2-(4-((4-(4-Morpholinophenyl)-5-(4-biphenyl)thiazo...)
Show SMILES Cc1cc(OCc2nc(c(s2)-c2ccc(cc2)-c2ccccc2)-c2ccc(cc2)N2CCOCC2)ccc1OCC(O)=O
Show InChI InChI=1S/C35H32N2O5S/c1-24-21-30(15-16-31(24)42-23-33(38)39)41-22-32-36-34(27-11-13-29(14-12-27)37-17-19-40-20-18-37)35(43-32)28-9-7-26(8-10-28)25-5-3-2-4-6-25/h2-16,21H,17-20,22-23H2,1H3,(H,38,39)
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Article
PubMed
n/an/an/an/a 14n/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))
BDBM50312471
PNG
(2-(4-((4-(4-Morpholinophenyl)-5-(4-biphenyl)thiazo...)
Show SMILES Cc1cc(OCc2nc(c(s2)-c2ccc(cc2)-c2ccccc2)-c2ccc(cc2)N2CCOCC2)ccc1OCC(O)=O
Show InChI InChI=1S/C35H32N2O5S/c1-24-21-30(15-16-31(24)42-23-33(38)39)41-22-32-36-34(27-11-13-29(14-12-27)37-17-19-40-20-18-37)35(43-32)28-9-7-26(8-10-28)25-5-3-2-4-6-25/h2-16,21H,17-20,22-23H2,1H3,(H,38,39)
PDB

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 18n/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)
BDBM50312471
PNG
(2-(4-((4-(4-Morpholinophenyl)-5-(4-biphenyl)thiazo...)
Show SMILES Cc1cc(OCc2nc(c(s2)-c2ccc(cc2)-c2ccccc2)-c2ccc(cc2)N2CCOCC2)ccc1OCC(O)=O
Show InChI InChI=1S/C35H32N2O5S/c1-24-21-30(15-16-31(24)42-23-33(38)39)41-22-32-36-34(27-11-13-29(14-12-27)37-17-19-40-20-18-37)35(43-32)28-9-7-26(8-10-28)25-5-3-2-4-6-25/h2-16,21H,17-20,22-23H2,1H3,(H,38,39)
PDB
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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 72n/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