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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 Monomerid = 50133663   
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))
BDBM50133663
PNG
(5-{3-[3-(4-Benzoyl-2-propyl-phenoxy)-propoxy]-phen...)
Show SMILES CCCc1cc(ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O)C(=O)c1ccccc1
Show InChI InChI=1S/C28H27NO5S/c1-2-8-20-17-21(25(30)19-9-4-3-5-10-19)13-14-24(20)34-16-7-15-33-23-12-6-11-22(18-23)26-27(31)29-28(32)35-26/h3-6,9-14,17-18,31H,2,7-8,15-16H2,1H3,(H,29,32)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 170n/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))
BDBM50133663
PNG
(5-{3-[3-(4-Benzoyl-2-propyl-phenoxy)-propoxy]-phen...)
Show SMILES CCCc1cc(ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O)C(=O)c1ccccc1
Show InChI InChI=1S/C28H27NO5S/c1-2-8-20-17-21(25(30)19-9-4-3-5-10-19)13-14-24(20)34-16-7-15-33-23-12-6-11-22(18-23)26-27(31)29-28(32)35-26/h3-6,9-14,17-18,31H,2,7-8,15-16H2,1H3,(H,29,32)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity was tested towards human Peroxisome proliferator activated receptor delta


Bioorg Med Chem Lett 13: 3541-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00785-6
BindingDB Entry DOI: 10.7270/Q2NZ871J
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50133663
PNG
(5-{3-[3-(4-Benzoyl-2-propyl-phenoxy)-propoxy]-phen...)
Show SMILES CCCc1cc(ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O)C(=O)c1ccccc1
Show InChI InChI=1S/C28H27NO5S/c1-2-8-20-17-21(25(30)19-9-4-3-5-10-19)13-14-24(20)34-16-7-15-33-23-12-6-11-22(18-23)26-27(31)29-28(32)35-26/h3-6,9-14,17-18,31H,2,7-8,15-16H2,1H3,(H,29,32)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>3.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human peroxisome proliferator activated receptor gamma


Bioorg Med Chem Lett 13: 3541-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00785-6
BindingDB Entry DOI: 10.7270/Q2NZ871J
More data for this
Ligand-Target Pair