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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 467.5
BDBM50176662

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))
BDBM50176662
PNG
(2-(5-(4-(5-methyl-2-phenyloxazol-4-yl)benzyloxy)-2...)
Show SMILES CCC(C1CCc2cc(OCc3ccc(cc3)-c3nc(oc3C)-c3ccccc3)ccc12)C(O)=O
Show InChI InChI=1S/C30H29NO4/c1-3-25(30(32)33)27-15-13-23-17-24(14-16-26(23)27)34-18-20-9-11-21(12-10-20)28-19(2)35-29(31-28)22-7-5-4-6-8-22/h4-12,14,16-17,25,27H,3,13,15,18H2,1-2H3,(H,32,33)
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>1.00E+4n/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))
BDBM50176662
PNG
(2-(5-(4-(5-methyl-2-phenyloxazol-4-yl)benzyloxy)-2...)
Show SMILES CCC(C1CCc2cc(OCc3ccc(cc3)-c3nc(oc3C)-c3ccccc3)ccc12)C(O)=O
Show InChI InChI=1S/C30H29NO4/c1-3-25(30(32)33)27-15-13-23-17-24(14-16-26(23)27)34-18-20-9-11-21(12-10-20)28-19(2)35-29(31-28)22-7-5-4-6-8-22/h4-12,14,16-17,25,27H,3,13,15,18H2,1-2H3,(H,32,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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