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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 455.5
BDBM50176690

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))
BDBM50176690
PNG
(2-(5-(2-(5-methyl-2-(naphthalen-1-yl)oxazol-4-yl)e...)
Show SMILES CCC(C1CCc2cc(OCCc3nc(oc3C)-c3cccc4ccccc34)ccc12)C(O)=O
Show InChI InChI=1S/C29H29NO4/c1-3-22(29(31)32)25-13-11-20-17-21(12-14-24(20)25)33-16-15-27-18(2)34-28(30-27)26-10-6-8-19-7-4-5-9-23(19)26/h4-10,12,14,17,22,25H,3,11,13,15-16H2,1-2H3,(H,31,32)
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 113n/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))
BDBM50176690
PNG
(2-(5-(2-(5-methyl-2-(naphthalen-1-yl)oxazol-4-yl)e...)
Show SMILES CCC(C1CCc2cc(OCCc3nc(oc3C)-c3cccc4ccccc34)ccc12)C(O)=O
Show InChI InChI=1S/C29H29NO4/c1-3-22(29(31)32)25-13-11-20-17-21(12-14-24(20)25)33-16-15-27-18(2)34-28(30-27)26-10-6-8-19-7-4-5-9-23(19)26/h4-10,12,14,17,22,25H,3,11,13,15-16H2,1-2H3,(H,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 451n/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