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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 = 'BDBM50100442'   
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))
BDBM50100442
PNG
(2-{4-[2-(2-Biphenyl-4-yl-5-methyl-oxazol-4-yl)-eth...)
Show SMILES Cc1oc(nc1CCOc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H27NO5/c1-19-25(17-18-32-23-13-15-24(16-14-23)34-28(2,3)27(30)31)29-26(33-19)22-11-9-21(10-12-22)20-7-5-4-6-8-20/h4-16H,17-18H2,1-3H3,(H,30,31)
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Article
PubMed
170n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity for human peroxisome proliferator activated receptor alpha


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
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50100442
PNG
(2-{4-[2-(2-Biphenyl-4-yl-5-methyl-oxazol-4-yl)-eth...)
Show SMILES Cc1oc(nc1CCOc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H27NO5/c1-19-25(17-18-32-23-13-15-24(16-14-23)34-28(2,3)27(30)31)29-26(33-19)22-11-9-21(10-12-22)20-7-5-4-6-8-20/h4-16H,17-18H2,1-3H3,(H,30,31)
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PubMed
n/an/a 174n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human peroxidase proliferator activated receptor alpha (hPPARalpha)


J Med Chem 44: 2061-4 (2001)


BindingDB Entry DOI: 10.7270/Q2DZ07KH
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50100442
PNG
(2-{4-[2-(2-Biphenyl-4-yl-5-methyl-oxazol-4-yl)-eth...)
Show SMILES Cc1oc(nc1CCOc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H27NO5/c1-19-25(17-18-32-23-13-15-24(16-14-23)34-28(2,3)27(30)31)29-26(33-19)22-11-9-21(10-12-22)20-7-5-4-6-8-20/h4-16H,17-18H2,1-3H3,(H,30,31)
PDB

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Article
PubMed
n/an/an/an/a 150n/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
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50100442
PNG
(2-{4-[2-(2-Biphenyl-4-yl-5-methyl-oxazol-4-yl)-eth...)
Show SMILES Cc1oc(nc1CCOc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H27NO5/c1-19-25(17-18-32-23-13-15-24(16-14-23)34-28(2,3)27(30)31)29-26(33-19)22-11-9-21(10-12-22)20-7-5-4-6-8-20/h4-16H,17-18H2,1-3H3,(H,30,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/an/an/a 150n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human PPAR alpha


J Med Chem 44: 2061-4 (2001)


BindingDB Entry DOI: 10.7270/Q2DZ07KH
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50100442
PNG
(2-{4-[2-(2-Biphenyl-4-yl-5-methyl-oxazol-4-yl)-eth...)
Show SMILES Cc1oc(nc1CCOc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H27NO5/c1-19-25(17-18-32-23-13-15-24(16-14-23)34-28(2,3)27(30)31)29-26(33-19)22-11-9-21(10-12-22)20-7-5-4-6-8-20/h4-16H,17-18H2,1-3H3,(H,30,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 150n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Agonistic activity of the compound for Peroxisome proliferator activated receptor alpha


J Med Chem 46: 1306-17 (2003)


Article DOI: 10.1021/jm021027r
BindingDB Entry DOI: 10.7270/Q2P55MWJ
More data for this
Ligand-Target Pair