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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor delta' and Ligand = 'BDBM50227738'   
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))
BDBM50227738
PNG
(2-(4-(4-fluoro-3-((2-fluoro-4-(trifluoromethyl)ben...)
Show SMILES Cc1cc(Oc2ccc(F)c(CNC(=O)c3ccc(cc3F)C(F)(F)F)c2)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C26H22F5NO5/c1-14-10-17(6-9-22(14)37-25(2,3)24(34)35)36-18-5-8-20(27)15(11-18)13-32-23(33)19-7-4-16(12-21(19)28)26(29,30)31/h4-12H,13H2,1-3H3,(H,32,33)(H,34,35)
PDB

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Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from human PPARdelta


Bioorg Med Chem Lett 17: 6744-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.047
BindingDB Entry DOI: 10.7270/Q2VT1RTW
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50227738
PNG
(2-(4-(4-fluoro-3-((2-fluoro-4-(trifluoromethyl)ben...)
Show SMILES Cc1cc(Oc2ccc(F)c(CNC(=O)c3ccc(cc3F)C(F)(F)F)c2)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C26H22F5NO5/c1-14-10-17(6-9-22(14)37-25(2,3)24(34)35)36-18-5-8-20(27)15(11-18)13-32-23(33)19-7-4-16(12-21(19)28)26(29,30)31/h4-12H,13H2,1-3H3,(H,32,33)(H,34,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50227738
PNG
(2-(4-(4-fluoro-3-((2-fluoro-4-(trifluoromethyl)ben...)
Show SMILES Cc1cc(Oc2ccc(F)c(CNC(=O)c3ccc(cc3F)C(F)(F)F)c2)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C26H22F5NO5/c1-14-10-17(6-9-22(14)37-25(2,3)24(34)35)36-18-5-8-20(27)15(11-18)13-32-23(33)19-7-4-16(12-21(19)28)26(29,30)31/h4-12H,13H2,1-3H3,(H,32,33)(H,34,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50227738
PNG
(2-(4-(4-fluoro-3-((2-fluoro-4-(trifluoromethyl)ben...)
Show SMILES Cc1cc(Oc2ccc(F)c(CNC(=O)c3ccc(cc3F)C(F)(F)F)c2)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C26H22F5NO5/c1-14-10-17(6-9-22(14)37-25(2,3)24(34)35)36-18-5-8-20(27)15(11-18)13-32-23(33)19-7-4-16(12-21(19)28)26(29,30)31/h4-12H,13H2,1-3H3,(H,32,33)(H,34,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 119n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta expressed in CV1 cells by receptor transactivation assay


Bioorg Med Chem Lett 17: 6744-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.047
BindingDB Entry DOI: 10.7270/Q2VT1RTW
More data for this
Ligand-Target Pair