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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor alpha' and Ligand = 'BDBM50085047'   
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 alpha


(Homo sapiens (Human))
BDBM50085047
PNG
(2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl e...)
Show SMILES CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
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n/an/an/an/a 5.50E+4n/an/an/an/a



Glaxo Wellcome Research & Development

Curated by ChEMBL


Assay Description
Agonist activity for Human PPAR alpha receptor in transcriptional activation assay


J Med Chem 43: 527-50 (2000)


BindingDB Entry DOI: 10.7270/Q2H994DT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50085047
PNG
(2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl e...)
Show SMILES CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
PDB
MMDB

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KEGG

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PubMed
n/an/an/an/a 5.00E+4n/an/an/an/a



Glaxo Wellcome Research & Development

Curated by ChEMBL


Assay Description
Agonist activity for murine PPAR alpha receptor in transcriptional activation assay


J Med Chem 43: 527-50 (2000)


BindingDB Entry DOI: 10.7270/Q2H994DT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50085047
PNG
(2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl e...)
Show SMILES CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
PDB
MMDB

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n/an/an/an/a 5.50E+7n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50085047
PNG
(2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl e...)
Show SMILES CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
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MCE
KEGG
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Article
PubMed
n/an/an/an/a 5.50E+4n/an/an/an/a



Universit£ Lille-Nord de France

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha


J Med Chem 55: 4027-61 (2012)


Article DOI: 10.1021/jm101360s
BindingDB Entry DOI: 10.7270/Q2ST7QW1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50085047
PNG
(2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl e...)
Show SMILES CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 5.50E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Effective concentration against human peroxisome proliferator activated receptor alpha in Gal4 transactivation assay


J Med Chem 47: 4118-27 (2004)


Article DOI: 10.1021/jm030631e
BindingDB Entry DOI: 10.7270/Q2DR2TZ5
More data for this
Ligand-Target Pair