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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 447.4
BDBM50213328

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

Found 4 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 delta


(Homo sapiens (Human))
BDBM50213328
PNG
(2-(4-methyl-6-((5-(4-(trifluoromethyl)phenyl)isoxa...)
Show SMILES Cc1cc(OCc2cc(on2)-c2ccc(cc2)C(F)(F)F)cc2scc(CC(O)=O)c12
Show InChI InChI=1S/C22H16F3NO4S/c1-12-6-17(9-19-21(12)14(11-31-19)7-20(27)28)29-10-16-8-18(30-26-16)13-2-4-15(5-3-13)22(23,24)25/h2-6,8-9,11H,7,10H2,1H3,(H,27,28)
PDB

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PC sid
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Article
PubMed
n/an/a 37n/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


Bioorg Med Chem Lett 17: 3630-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.047
BindingDB Entry DOI: 10.7270/Q2ZK5GBB
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50213328
PNG
(2-(4-methyl-6-((5-(4-(trifluoromethyl)phenyl)isoxa...)
Show SMILES Cc1cc(OCc2cc(on2)-c2ccc(cc2)C(F)(F)F)cc2scc(CC(O)=O)c12
Show InChI InChI=1S/C22H16F3NO4S/c1-12-6-17(9-19-21(12)14(11-31-19)7-20(27)28)29-10-16-8-18(30-26-16)13-2-4-15(5-3-13)22(23,24)25/h2-6,8-9,11H,7,10H2,1H3,(H,27,28)
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Article
PubMed
n/an/a 1.47E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-(2-(3-(2,4-difluorophenyl)-1-heptylureido)ethyl)phenoxy)-2-methylbutanoic acid from human PPARalpha after 30 mins by SPA


Bioorg Med Chem Lett 17: 3630-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.047
BindingDB Entry DOI: 10.7270/Q2ZK5GBB
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50213328
PNG
(2-(4-methyl-6-((5-(4-(trifluoromethyl)phenyl)isoxa...)
Show SMILES Cc1cc(OCc2cc(on2)-c2ccc(cc2)C(F)(F)F)cc2scc(CC(O)=O)c12
Show InChI InChI=1S/C22H16F3NO4S/c1-12-6-17(9-19-21(12)14(11-31-19)7-20(27)28)29-10-16-8-18(30-26-16)13-2-4-15(5-3-13)22(23,24)25/h2-6,8-9,11H,7,10H2,1H3,(H,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]5-(4-(3-(5-methyl-2-phenyloxazol-4-yl)propanoyl)benzyl)thiazolidine-2,4-dione from human PPARgamma after 2 hrs by SPA


Bioorg Med Chem Lett 17: 3630-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.047
BindingDB Entry DOI: 10.7270/Q2ZK5GBB
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50213328
PNG
(2-(4-methyl-6-((5-(4-(trifluoromethyl)phenyl)isoxa...)
Show SMILES Cc1cc(OCc2cc(on2)-c2ccc(cc2)C(F)(F)F)cc2scc(CC(O)=O)c12
Show InChI InChI=1S/C22H16F3NO4S/c1-12-6-17(9-19-21(12)14(11-31-19)7-20(27)28)29-10-16-8-18(30-26-16)13-2-4-15(5-3-13)22(23,24)25/h2-6,8-9,11H,7,10H2,1H3,(H,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 561n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta in HepG2 cells by GAL4-luciferase reporter gene assay


Bioorg Med Chem Lett 17: 3630-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.047
BindingDB Entry DOI: 10.7270/Q2ZK5GBB
More data for this
Ligand-Target Pair