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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 453.5
BDBM50216939

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 alpha


(Homo sapiens (Human))
BDBM50216939
PNG
(CHEMBL246207 | {(S)-5-[2-(2-biphenyl-4-yl-5-methyl...)
Show SMILES Cc1oc(nc1CCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H27NO4/c1-19-27(15-16-33-25-13-14-26-23(17-25)11-12-24(26)18-28(31)32)30-29(34-19)22-9-7-21(8-10-22)20-5-3-2-4-6-20/h2-10,13-14,17,24H,11-12,15-16,18H2,1H3,(H,31,32)/t24-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.72E+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
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50216939
PNG
(CHEMBL246207 | {(S)-5-[2-(2-biphenyl-4-yl-5-methyl...)
Show SMILES Cc1oc(nc1CCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H27NO4/c1-19-27(15-16-33-25-13-14-26-23(17-25)11-12-24(26)18-28(31)32)30-29(34-19)22-9-7-21(8-10-22)20-5-3-2-4-6-20/h2-10,13-14,17,24H,11-12,15-16,18H2,1H3,(H,31,32)/t24-/m0/s1
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 6n/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