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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 408.4
BDBM50333778

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 alpha


(Homo sapiens (Human))
BDBM50333778
PNG
((E)-2-(2-Methyl-4-(1-(((5-methyl-2-(p-tolyl)oxazol...)
Show SMILES C\C(=N/OCc1nc(oc1C)-c1ccc(C)cc1)c1ccc(OCC(O)=O)c(C)c1
Show InChI InChI=1S/C23H24N2O5/c1-14-5-7-18(8-6-14)23-24-20(17(4)30-23)12-29-25-16(3)19-9-10-21(15(2)11-19)28-13-22(26)27/h5-11H,12-13H2,1-4H3,(H,26,27)/b25-16+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Zydus Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha expressed in HepG2 cells cotransfected with PPRE3-TK-luc assessed as beta-galactosidase activity after 20 to 22 h...


Bioorg Med Chem 19: 771-82 (2011)


Article DOI: 10.1016/j.bmc.2010.12.023
BindingDB Entry DOI: 10.7270/Q2PC32MN
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50333778
PNG
((E)-2-(2-Methyl-4-(1-(((5-methyl-2-(p-tolyl)oxazol...)
Show SMILES C\C(=N/OCc1nc(oc1C)-c1ccc(C)cc1)c1ccc(OCC(O)=O)c(C)c1
Show InChI InChI=1S/C23H24N2O5/c1-14-5-7-18(8-6-14)23-24-20(17(4)30-23)12-29-25-16(3)19-9-10-21(15(2)11-19)28-13-22(26)27/h5-11H,12-13H2,1-4H3,(H,26,27)/b25-16+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 300n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta expressed in HepG2 cells cotransfected with PPRE3-TK-luc assessed as beta-galactosidase activity after 20 to 22 h...


Bioorg Med Chem 19: 771-82 (2011)


Article DOI: 10.1016/j.bmc.2010.12.023
BindingDB Entry DOI: 10.7270/Q2PC32MN
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50333778
PNG
((E)-2-(2-Methyl-4-(1-(((5-methyl-2-(p-tolyl)oxazol...)
Show SMILES C\C(=N/OCc1nc(oc1C)-c1ccc(C)cc1)c1ccc(OCC(O)=O)c(C)c1
Show InChI InChI=1S/C23H24N2O5/c1-14-5-7-18(8-6-14)23-24-20(17(4)30-23)12-29-25-16(3)19-9-10-21(15(2)11-19)28-13-22(26)27/h5-11H,12-13H2,1-4H3,(H,26,27)/b25-16+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 400n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in HepG2 cells cotransfected with PPRE3-TK-luc assessed as beta-galactosidase activity after 20 to 22 h...


Bioorg Med Chem 19: 771-82 (2011)


Article DOI: 10.1016/j.bmc.2010.12.023
BindingDB Entry DOI: 10.7270/Q2PC32MN
More data for this
Ligand-Target Pair