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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 = 'BDBM50383371'   
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)
BDBM50383371
PNG
(CHEMBL2030550)
Show SMILES CN1CCN(CC1)c1ccc(\C=C(/C#N)c2ccccc2Br)cc1
Show InChI InChI=1S/C20H20BrN3/c1-23-10-12-24(13-11-23)18-8-6-16(7-9-18)14-17(15-22)19-4-2-3-5-20(19)21/h2-9,14H,10-13H2,1H3/b17-14+
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CHEMBL
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.5n/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)
BDBM50383371
PNG
(CHEMBL2030550)
Show SMILES CN1CCN(CC1)c1ccc(\C=C(/C#N)c2ccccc2Br)cc1
Show InChI InChI=1S/C20H20BrN3/c1-23-10-12-24(13-11-23)18-8-6-16(7-9-18)14-17(15-22)19-4-2-3-5-20(19)21/h2-9,14H,10-13H2,1H3/b17-14+
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CHEMBL
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 26.9n/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
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50383371
PNG
(CHEMBL2030550)
Show SMILES CN1CCN(CC1)c1ccc(\C=C(/C#N)c2ccccc2Br)cc1
Show InChI InChI=1S/C20H20BrN3/c1-23-10-12-24(13-11-23)18-8-6-16(7-9-18)14-17(15-22)19-4-2-3-5-20(19)21/h2-9,14H,10-13H2,1H3/b17-14+
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 29n/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Binding affinity to GST-PPAR-beta/delta LBP (unknown origin) after 40 mins by TR-FRET assay


Bioorg Med Chem 24: 247-60 (2016)


Article DOI: 10.1016/j.bmc.2015.12.012
BindingDB Entry DOI: 10.7270/Q2Z89F70
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50383371
PNG
(CHEMBL2030550)
Show SMILES CN1CCN(CC1)c1ccc(\C=C(/C#N)c2ccccc2Br)cc1
Show InChI InChI=1S/C20H20BrN3/c1-23-10-12-24(13-11-23)18-8-6-16(7-9-18)14-17(15-22)19-4-2-3-5-20(19)21/h2-9,14H,10-13H2,1H3/b17-14+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Binding affinity to GST-PPAR-beta/delta LBP (unknown origin) after 40 mins by TR-FRET assay


Bioorg Med Chem 24: 247-60 (2016)


Article DOI: 10.1016/j.bmc.2015.12.012
BindingDB Entry DOI: 10.7270/Q2Z89F70
More data for this
Ligand-Target Pair