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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 474.5
BDBM50214886

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

Found 3 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))
BDBM50214886
PNG
(2-(3-(((5-methylbenzo[d]oxazol-2-yl)(3-phenoxyprop...)
Show SMILES CCC(Oc1cccc(CN(CCCOc2ccccc2)c2nc3cc(C)ccc3o2)c1)C(O)=O |w:2.1|
Show InChI InChI=1S/C28H30N2O5/c1-3-25(27(31)32)34-23-12-7-9-21(18-23)19-30(15-8-16-33-22-10-5-4-6-11-22)28-29-24-17-20(2)13-14-26(24)35-28/h4-7,9-14,17-18,25H,3,8,15-16,19H2,1-2H3,(H,31,32)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Kowa Co.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant PPARgamma by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 4689-93 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.066
BindingDB Entry DOI: 10.7270/Q2J67GM5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50214886
PNG
(2-(3-(((5-methylbenzo[d]oxazol-2-yl)(3-phenoxyprop...)
Show SMILES CCC(Oc1cccc(CN(CCCOc2ccccc2)c2nc3cc(C)ccc3o2)c1)C(O)=O |w:2.1|
Show InChI InChI=1S/C28H30N2O5/c1-3-25(27(31)32)34-23-12-7-9-21(18-23)19-30(15-8-16-33-22-10-5-4-6-11-22)28-29-24-17-20(2)13-14-26(24)35-28/h4-7,9-14,17-18,25H,3,8,15-16,19H2,1-2H3,(H,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 100n/an/an/an/a



Kowa Co.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant PPARalpha by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 4689-93 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.066
BindingDB Entry DOI: 10.7270/Q2J67GM5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50214886
PNG
(2-(3-(((5-methylbenzo[d]oxazol-2-yl)(3-phenoxyprop...)
Show SMILES CCC(Oc1cccc(CN(CCCOc2ccccc2)c2nc3cc(C)ccc3o2)c1)C(O)=O |w:2.1|
Show InChI InChI=1S/C28H30N2O5/c1-3-25(27(31)32)34-23-12-7-9-21(18-23)19-30(15-8-16-33-22-10-5-4-6-11-22)28-29-24-17-20(2)13-14-26(24)35-28/h4-7,9-14,17-18,25H,3,8,15-16,19H2,1-2H3,(H,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 5.00E+3n/an/an/an/a



Kowa Co.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant PPARdelta by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 4689-93 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.066
BindingDB Entry DOI: 10.7270/Q2J67GM5
More data for this
Ligand-Target Pair