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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 = 'BDBM50312473'   
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))
BDBM50312473
PNG
(CHEMBL1079983 | {4-[4-(6-Methoxypyridin-3-yl)-5-(4...)
Show SMILES COc1ccc(cn1)-c1nc(COc2ccc(OCC(O)=O)c(C)c2)sc1-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C26H21F3N2O6S/c1-15-11-19(8-9-20(15)36-14-23(32)33)35-13-22-31-24(17-5-10-21(34-2)30-12-17)25(38-22)16-3-6-18(7-4-16)37-26(27,28)29/h3-12H,13-14H2,1-2H3,(H,32,33)
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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 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)
BDBM50312473
PNG
(CHEMBL1079983 | {4-[4-(6-Methoxypyridin-3-yl)-5-(4...)
Show SMILES COc1ccc(cn1)-c1nc(COc2ccc(OCC(O)=O)c(C)c2)sc1-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C26H21F3N2O6S/c1-15-11-19(8-9-20(15)36-14-23(32)33)35-13-22-31-24(17-5-10-21(34-2)30-12-17)25(38-22)16-3-6-18(7-4-16)37-26(27,28)29/h3-12H,13-14H2,1-2H3,(H,32,33)
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UniChem

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Article
PubMed
n/an/an/an/a 90n/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
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50312473
PNG
(CHEMBL1079983 | {4-[4-(6-Methoxypyridin-3-yl)-5-(4...)
Show SMILES COc1ccc(cn1)-c1nc(COc2ccc(OCC(O)=O)c(C)c2)sc1-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C26H21F3N2O6S/c1-15-11-19(8-9-20(15)36-14-23(32)33)35-13-22-31-24(17-5-10-21(34-2)30-12-17)25(38-22)16-3-6-18(7-4-16)37-26(27,28)29/h3-12H,13-14H2,1-2H3,(H,32,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 12n/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