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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 360.4
BDBM34027

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))
BDBM34027
PNG
(phenylpropanoic acid derivative, 44)
Show SMILES CN(C\C=C\c1ccc(C[C@@H](C(O)=O)n2cccc2)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C23H24N2O2/c1-24(21-9-3-2-4-10-21)15-7-8-19-11-13-20(14-12-19)18-22(23(26)27)25-16-5-6-17-25/h2-14,16-17,22H,15,18H2,1H3,(H,26,27)/b8-7+/t22-/m0/s1
PDB
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UniProtKB/SwissProt

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PC sid
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Similars

Article
PubMed
n/an/a 2.00E+3n/a 3.70E+3n/an/a7.423



Pfizer



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


Bioorg Med Chem 16: 4883-907 (2008)


Article DOI: 10.1016/j.bmc.2008.03.043
BindingDB Entry DOI: 10.7270/Q2SN0797
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM34027
PNG
(phenylpropanoic acid derivative, 44)
Show SMILES CN(C\C=C\c1ccc(C[C@@H](C(O)=O)n2cccc2)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C23H24N2O2/c1-24(21-9-3-2-4-10-21)15-7-8-19-11-13-20(14-12-19)18-22(23(26)27)25-16-5-6-17-25/h2-14,16-17,22H,15,18H2,1H3,(H,26,27)/b8-7+/t22-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a>3.00E+4n/an/an/a25



Novartis



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


J Med Chem 52: 6193-6 (2009)


Article DOI: 10.1021/jm901108b
BindingDB Entry DOI: 10.7270/Q25X278Q
More data for this
Ligand-Target Pair