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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor delta' and Ligand = 'BDBM50383370'   
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


(Mus musculus)
BDBM50383370
PNG
(CHEMBL2030543)
Show SMILES CN(C)c1ccc(\C=C(/C#N)c2ccccc2Cl)cc1
Show InChI InChI=1S/C17H15ClN2/c1-20(2)15-9-7-13(8-10-15)11-14(12-19)16-5-3-4-6-17(16)18/h3-11H,1-2H3/b14-11+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 52n/an/an/an/an/an/a



Philipps University

Curated by ChEMBL


Assay Description
Inverse agonist activity at PPARbeta/delta in mouse C2C12 cells assessed as inhibition of Angptl4 expression after 24 hrs by RT-qPCR analysis


J Med Chem 55: 2858-68 (2012)


Article DOI: 10.1021/jm2017122
BindingDB Entry DOI: 10.7270/Q2XK8GK9
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Mus musculus)
BDBM50383370
PNG
(CHEMBL2030543)
Show SMILES CN(C)c1ccc(\C=C(/C#N)c2ccccc2Cl)cc1
Show InChI InChI=1S/C17H15ClN2/c1-20(2)15-9-7-13(8-10-15)11-14(12-19)16-5-3-4-6-17(16)18/h3-11H,1-2H3/b14-11+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Philipps University

Curated by ChEMBL


Assay Description
Displacement of fluormone Pan-PPAR Green from mouse recombinant GST-tagged PPARbeta/delta LBD after 60 mins by TR-FRET assay


J Med Chem 55: 2858-68 (2012)


Article DOI: 10.1021/jm2017122
BindingDB Entry DOI: 10.7270/Q2XK8GK9
More data for this
Ligand-Target Pair