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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor alpha' and Ligand = 'BDBM50145723'   
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))
BDBM50145723
PNG
(3-{4-[2-(2-Biphenyl-3-yl-5-methyl-oxazol-4-yl)-eth...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC(C)(Oc2ccccc2)C(O)=O)cc1)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C34H31NO5/c1-24-31(35-32(39-24)28-13-9-12-27(22-28)26-10-5-3-6-11-26)20-21-38-29-18-16-25(17-19-29)23-34(2,33(36)37)40-30-14-7-4-8-15-30/h3-19,22H,20-21,23H2,1-2H3,(H,36,37)
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n/an/a 167n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of PPARalpha/delta agonist from human Peroxisome proliferator activated receptor alpha


J Med Chem 47: 2422-5 (2004)


Article DOI: 10.1021/jm0342616
BindingDB Entry DOI: 10.7270/Q2TQ6100
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50145723
PNG
(3-{4-[2-(2-Biphenyl-3-yl-5-methyl-oxazol-4-yl)-eth...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC(C)(Oc2ccccc2)C(O)=O)cc1)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C34H31NO5/c1-24-31(35-32(39-24)28-13-9-12-27(22-28)26-10-5-3-6-11-26)20-21-38-29-18-16-25(17-19-29)23-34(2,33(36)37)40-30-14-7-4-8-15-30/h3-19,22H,20-21,23H2,1-2H3,(H,36,37)
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PubMed
n/an/a 167n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human Peroxisome proliferator activated receptor alpha


Bioorg Med Chem Lett 14: 6113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.031
BindingDB Entry DOI: 10.7270/Q2QN67J1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50145723
PNG
(3-{4-[2-(2-Biphenyl-3-yl-5-methyl-oxazol-4-yl)-eth...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC(C)(Oc2ccccc2)C(O)=O)cc1)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C34H31NO5/c1-24-31(35-32(39-24)28-13-9-12-27(22-28)26-10-5-3-6-11-26)20-21-38-29-18-16-25(17-19-29)23-34(2,33(36)37)40-30-14-7-4-8-15-30/h3-19,22H,20-21,23H2,1-2H3,(H,36,37)
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n/an/a 404n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of mouse Peroxisome proliferator activated receptor alpha


Bioorg Med Chem Lett 14: 6113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.031
BindingDB Entry DOI: 10.7270/Q2QN67J1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50145723
PNG
(3-{4-[2-(2-Biphenyl-3-yl-5-methyl-oxazol-4-yl)-eth...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC(C)(Oc2ccccc2)C(O)=O)cc1)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C34H31NO5/c1-24-31(35-32(39-24)28-13-9-12-27(22-28)26-10-5-3-6-11-26)20-21-38-29-18-16-25(17-19-29)23-34(2,33(36)37)40-30-14-7-4-8-15-30/h3-19,22H,20-21,23H2,1-2H3,(H,36,37)
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n/an/an/an/a 7n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation activity for human Peroxisome proliferator activated receptor alpha


Bioorg Med Chem Lett 14: 6113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.031
BindingDB Entry DOI: 10.7270/Q2QN67J1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50145723
PNG
(3-{4-[2-(2-Biphenyl-3-yl-5-methyl-oxazol-4-yl)-eth...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC(C)(Oc2ccccc2)C(O)=O)cc1)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C34H31NO5/c1-24-31(35-32(39-24)28-13-9-12-27(22-28)26-10-5-3-6-11-26)20-21-38-29-18-16-25(17-19-29)23-34(2,33(36)37)40-30-14-7-4-8-15-30/h3-19,22H,20-21,23H2,1-2H3,(H,36,37)
PDB

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antibodypedia
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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 7n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Transcriptional activation of reporter assay by human Peroxisome proliferator activated receptor alpha in CV-1 cells


J Med Chem 47: 2422-5 (2004)


Article DOI: 10.1021/jm0342616
BindingDB Entry DOI: 10.7270/Q2TQ6100
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50145723
PNG
(3-{4-[2-(2-Biphenyl-3-yl-5-methyl-oxazol-4-yl)-eth...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC(C)(Oc2ccccc2)C(O)=O)cc1)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C34H31NO5/c1-24-31(35-32(39-24)28-13-9-12-27(22-28)26-10-5-3-6-11-26)20-21-38-29-18-16-25(17-19-29)23-34(2,33(36)37)40-30-14-7-4-8-15-30/h3-19,22H,20-21,23H2,1-2H3,(H,36,37)
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PC sid
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Article
PubMed
n/an/an/an/a 173n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation activity for mouse Peroxisome proliferator activated receptor alpha


Bioorg Med Chem Lett 14: 6113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.031
BindingDB Entry DOI: 10.7270/Q2QN67J1
More data for this
Ligand-Target Pair