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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 416.4
BDBM33292

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

Found 2 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 gamma


(Homo sapiens (Human))
BDBM33292
PNG
(phenylpropanoic acid derivative, 17h | racemic)
Show SMILES Cc1oc(nc1CCCc1ccc(CC(C(O)=O)n2ccnn2)cc1)-c1ccccc1
Show InChI InChI=1S/C24H24N4O3/c1-17-21(26-23(31-17)20-7-3-2-4-8-20)9-5-6-18-10-12-19(13-11-18)16-22(24(29)30)28-15-14-25-27-28/h2-4,7-8,10-15,22H,5-6,9,16H2,1H3,(H,29,30)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.40E+4n/a>3.00E+4n/an/a7.423



Pfizer



Assay Description
Human 6His-PPAR ligand-binding domain was added to the mixture containing radioligand and test compound, followed by yttrium silicate polylysine SPA ...


Bioorg Med Chem 17: 7113-25 (2009)


Article DOI: 10.1016/j.bmc.2009.09.001
BindingDB Entry DOI: 10.7270/Q2BP0158
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM33292
PNG
(phenylpropanoic acid derivative, 17h | racemic)
Show SMILES Cc1oc(nc1CCCc1ccc(CC(C(O)=O)n2ccnn2)cc1)-c1ccccc1
Show InChI InChI=1S/C24H24N4O3/c1-17-21(26-23(31-17)20-7-3-2-4-8-20)9-5-6-18-10-12-19(13-11-18)16-22(24(29)30)28-15-14-25-27-28/h2-4,7-8,10-15,22H,5-6,9,16H2,1H3,(H,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a>1.00E+5n/an/a7.215



Pfizer



Assay Description
Human PPAR alpha receptor was expressed as recombinant glutathione-S-transferase (GST)-fusion proteins in Escherichia coli. The purified GST-hPPAR al...


Bioorg Med Chem 17: 7113-25 (2009)


Article DOI: 10.1016/j.bmc.2009.09.001
BindingDB Entry DOI: 10.7270/Q2BP0158
More data for this
Ligand-Target Pair