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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 = 'BDBM50199772'   
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))
BDBM50199772
PNG
(3-(4-((R)-3-(4-ethyl-2-(thiophen-3-yl)phenoxy)buto...)
Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1ccsc1
Show InChI InChI=1S/C26H30O4S/c1-4-20-5-9-25(24(16-20)22-12-14-31-17-22)30-19(3)11-13-29-23-8-6-21(18(2)15-23)7-10-26(27)28/h5-6,8-9,12,14-17,19H,4,7,10-11,13H2,1-3H3,(H,27,28)/t19-/m1/s1
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Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Lilly Research Laboratories

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: 1052-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.029
BindingDB Entry DOI: 10.7270/Q2BP02F8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50199772
PNG
(3-(4-((R)-3-(4-ethyl-2-(thiophen-3-yl)phenoxy)buto...)
Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1ccsc1
Show InChI InChI=1S/C26H30O4S/c1-4-20-5-9-25(24(16-20)22-12-14-31-17-22)30-19(3)11-13-29-23-8-6-21(18(2)15-23)7-10-26(27)28/h5-6,8-9,12,14-17,19H,4,7,10-11,13H2,1-3H3,(H,27,28)/t19-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 8n/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))
BDBM50199772
PNG
(3-(4-((R)-3-(4-ethyl-2-(thiophen-3-yl)phenoxy)buto...)
Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1ccsc1
Show InChI InChI=1S/C26H30O4S/c1-4-20-5-9-25(24(16-20)22-12-14-31-17-22)30-19(3)11-13-29-23-8-6-21(18(2)15-23)7-10-26(27)28/h5-6,8-9,12,14-17,19H,4,7,10-11,13H2,1-3H3,(H,27,28)/t19-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 42n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-PPARdelta expressed in CV1 cells by transactivation assay


Bioorg Med Chem Lett 17: 1052-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.029
BindingDB Entry DOI: 10.7270/Q2BP02F8
More data for this
Ligand-Target Pair