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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor delta' and Ligand = 'BDBM50311788'   
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))
BDBM50311788
PNG
(4'-butoxy-3'-((2-fluoro-4-(trifluoromethyl)benzami...)
Show SMILES CCCCOc1ccc(cc1CNC(=O)c1ccc(cc1F)C(F)(F)F)-c1cccc(C(O)=O)c1C
Show InChI InChI=1S/C27H25F4NO4/c1-3-4-12-36-24-11-8-17(20-6-5-7-21(16(20)2)26(34)35)13-18(24)15-32-25(33)22-10-9-19(14-23(22)28)27(29,30)31/h5-11,13-14H,3-4,12,15H2,1-2H3,(H,32,33)(H,34,35)
PDB

UniProtKB/SwissProt

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Article
PubMed
n/an/an/an/a 1.60n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta receptor expressed in HEK293 cells cotransfected with GAL4 by transactivation assay


Bioorg Med Chem Lett 19: 6595-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.021
BindingDB Entry DOI: 10.7270/Q2736R23
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50311788
PNG
(4'-butoxy-3'-((2-fluoro-4-(trifluoromethyl)benzami...)
Show SMILES CCCCOc1ccc(cc1CNC(=O)c1ccc(cc1F)C(F)(F)F)-c1cccc(C(O)=O)c1C
Show InChI InChI=1S/C27H25F4NO4/c1-3-4-12-36-24-11-8-17(20-6-5-7-21(16(20)2)26(34)35)13-18(24)15-32-25(33)22-10-9-19(14-23(22)28)27(29,30)31/h5-11,13-14H,3-4,12,15H2,1-2H3,(H,32,33)(H,34,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.60n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Partial agonist activity at PPARdelta


J Med Chem 54: 1539-54 (2011)


Article DOI: 10.1021/jm101356p
BindingDB Entry DOI: 10.7270/Q27S7P30
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50311788
PNG
(4'-butoxy-3'-((2-fluoro-4-(trifluoromethyl)benzami...)
Show SMILES CCCCOc1ccc(cc1CNC(=O)c1ccc(cc1F)C(F)(F)F)-c1cccc(C(O)=O)c1C
Show InChI InChI=1S/C27H25F4NO4/c1-3-4-12-36-24-11-8-17(20-6-5-7-21(16(20)2)26(34)35)13-18(24)15-32-25(33)22-10-9-19(14-23(22)28)27(29,30)31/h5-11,13-14H,3-4,12,15H2,1-2H3,(H,32,33)(H,34,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.60n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Partial agonist activity at human recombinant PPARdelta LBD expressed in HEK293 cells cotransfected with Gal4 assessed as beta-galactosidase activity...


Bioorg Med Chem 18: 7164-73 (2010)


Article DOI: 10.1016/j.bmc.2010.08.041
BindingDB Entry DOI: 10.7270/Q2862GN7
More data for this
Ligand-Target Pair