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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 447.5
BDBM50176644

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))
BDBM50176644
PNG
(2-(5-(2-(2-(2,3-dihydrobenzofuran-6-yl)-5-methylox...)
Show SMILES CCC(C1CCc2cc(OCCc3nc(oc3C)-c3ccc4CCOc4c3)ccc12)C(O)=O
Show InChI InChI=1S/C27H29NO5/c1-3-21(27(29)30)23-8-6-18-14-20(7-9-22(18)23)31-13-11-24-16(2)33-26(28-24)19-5-4-17-10-12-32-25(17)15-19/h4-5,7,9,14-15,21,23H,3,6,8,10-13H2,1-2H3,(H,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/an/an/a 6n/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Activity against PPAR gamma in human by FRET assay


Bioorg Med Chem Lett 16: 297-301 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.008
BindingDB Entry DOI: 10.7270/Q28P6025
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50176644
PNG
(2-(5-(2-(2-(2,3-dihydrobenzofuran-6-yl)-5-methylox...)
Show SMILES CCC(C1CCc2cc(OCCc3nc(oc3C)-c3ccc4CCOc4c3)ccc12)C(O)=O
Show InChI InChI=1S/C27H29NO5/c1-3-21(27(29)30)23-8-6-18-14-20(7-9-22(18)23)31-13-11-24-16(2)33-26(28-24)19-5-4-17-10-12-32-25(17)15-19/h4-5,7,9,14-15,21,23H,3,6,8,10-13H2,1-2H3,(H,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 65n/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Activity against PPAR alpha in human by FRET assay


Bioorg Med Chem Lett 16: 297-301 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.008
BindingDB Entry DOI: 10.7270/Q28P6025
More data for this
Ligand-Target Pair