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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 411.8
BDBM50216932

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

Found 2 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))
BDBM50216932
PNG
(2-((S)-5-(2-(2-(3-chlorophenyl)-5-methyloxazol-4-y...)
Show SMILES Cc1oc(nc1CCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C23H22ClNO4/c1-14-21(25-23(29-14)17-3-2-4-18(24)11-17)9-10-28-19-7-8-20-15(12-19)5-6-16(20)13-22(26)27/h2-4,7-8,11-12,16H,5-6,9-10,13H2,1H3,(H,26,27)/t16-/m0/s1
PDB
MMDB

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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 13n/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Agonist activity at GST-tagged human PPARdelta by FRET assay


Bioorg Med Chem Lett 17: 4369-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.057
BindingDB Entry DOI: 10.7270/Q2GX4B8H
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50216932
PNG
(2-((S)-5-(2-(2-(3-chlorophenyl)-5-methyloxazol-4-y...)
Show SMILES Cc1oc(nc1CCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C23H22ClNO4/c1-14-21(25-23(29-14)17-3-2-4-18(24)11-17)9-10-28-19-7-8-20-15(12-19)5-6-16(20)13-22(26)27/h2-4,7-8,11-12,16H,5-6,9-10,13H2,1H3,(H,26,27)/t16-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.57E+3n/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha by FRET assay


Bioorg Med Chem Lett 17: 4369-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.057
BindingDB Entry DOI: 10.7270/Q2GX4B8H
More data for this
Ligand-Target Pair