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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor delta' and Ligand = 'BDBM50212693'   
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))
BDBM50212693
PNG
(2-(4-(4-(4-(trifluoromethyl)benzyloxy)benzylthio)-...)
Show SMILES COc1cc(OCC(O)=O)c(C)cc1SCc1ccc(OCc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C25H23F3O5S/c1-16-11-23(22(31-2)12-21(16)33-14-24(29)30)34-15-18-5-9-20(10-6-18)32-13-17-3-7-19(8-4-17)25(26,27)28/h3-12H,13-15H2,1-2H3,(H,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-(3-(4-acetyl-3-hydroxy-2 propyl-phenoxy)propoxy)phenoxy)acetic acid from human PPARdelta after 30 mins by SPA assay


Bioorg Med Chem Lett 17: 3624-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.046
BindingDB Entry DOI: 10.7270/Q2S1826N
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50212693
PNG
(2-(4-(4-(4-(trifluoromethyl)benzyloxy)benzylthio)-...)
Show SMILES COc1cc(OCC(O)=O)c(C)cc1SCc1ccc(OCc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C25H23F3O5S/c1-16-11-23(22(31-2)12-21(16)33-14-24(29)30)34-15-18-5-9-20(10-6-18)32-13-17-3-7-19(8-4-17)25(26,27)28/h3-12H,13-15H2,1-2H3,(H,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50212693
PNG
(2-(4-(4-(4-(trifluoromethyl)benzyloxy)benzylthio)-...)
Show SMILES COc1cc(OCC(O)=O)c(C)cc1SCc1ccc(OCc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C25H23F3O5S/c1-16-11-23(22(31-2)12-21(16)33-14-24(29)30)34-15-18-5-9-20(10-6-18)32-13-17-3-7-19(8-4-17)25(26,27)28/h3-12H,13-15H2,1-2H3,(H,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50212693
PNG
(2-(4-(4-(4-(trifluoromethyl)benzyloxy)benzylthio)-...)
Show SMILES COc1cc(OCC(O)=O)c(C)cc1SCc1ccc(OCc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C25H23F3O5S/c1-16-11-23(22(31-2)12-21(16)33-14-24(29)30)34-15-18-5-9-20(10-6-18)32-13-17-3-7-19(8-4-17)25(26,27)28/h3-12H,13-15H2,1-2H3,(H,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 13n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta expressed in HepG2 cells after 16 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 17: 3624-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.046
BindingDB Entry DOI: 10.7270/Q2S1826N
More data for this
Ligand-Target Pair