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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor delta' and Ligand = 'BDBM50081225'   
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 delta


(Homo sapiens (Human))
BDBM50081225
PNG
(2-(4-{2-[3-(4-Fluoro-phenyl)-1-heptyl-ureido]-ethy...)
Show SMILES CCCCCCCN(CCc1ccc(OC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C26H35FN2O4/c1-4-5-6-7-8-18-29(25(32)28-22-13-11-21(27)12-14-22)19-17-20-9-15-23(16-10-20)33-26(2,3)24(30)31/h9-16H,4-8,17-19H2,1-3H3,(H,28,32)(H,30,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/an/an/a 3.10E+3n/an/an/an/a



Glaxo Wellcome Research & Development

Curated by ChEMBL


Assay Description
Compound was tested for agonist activity on human Peroxisome proliferator activated receptor delta-GAL4 chimeric receptor in transfected CV-1 cells


J Med Chem 42: 3785-8 (1999)


BindingDB Entry DOI: 10.7270/Q29C6WM9
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Mus musculus)
BDBM50081225
PNG
(2-(4-{2-[3-(4-Fluoro-phenyl)-1-heptyl-ureido]-ethy...)
Show SMILES CCCCCCCN(CCc1ccc(OC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C26H35FN2O4/c1-4-5-6-7-8-18-29(25(32)28-22-13-11-21(27)12-14-22)19-17-20-9-15-23(16-10-20)33-26(2,3)24(30)31/h9-16H,4-8,17-19H2,1-3H3,(H,28,32)(H,30,31)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/an/an/a 5.50E+3n/an/an/an/a



Glaxo Wellcome Research & Development

Curated by ChEMBL


Assay Description
Compound was tested for its agonist activity against murine Peroxisome proliferator activated receptor delta-GAL4 chimeric receptor in transfected CV...


J Med Chem 42: 3785-8 (1999)


BindingDB Entry DOI: 10.7270/Q29C6WM9
More data for this
Ligand-Target Pair