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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 = 'BDBM50194625'   
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))
BDBM50194625
PNG
((R)-3-{2-methyl-4-[3-(2-phenoxy-4-trifluoromethoxy...)
Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(OC(F)(F)F)cc1Oc1ccccc1
Show InChI InChI=1S/C27H27F3O6/c1-18-16-22(10-8-20(18)9-13-26(31)32)33-15-14-19(2)34-24-12-11-23(36-27(28,29)30)17-25(24)35-21-6-4-3-5-7-21/h3-8,10-12,16-17,19H,9,13-15H2,1-2H3,(H,31,32)/t19-/m1/s1
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Article
PubMed
n/an/a 5n/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 by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50194625
PNG
((R)-3-{2-methyl-4-[3-(2-phenoxy-4-trifluoromethoxy...)
Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(OC(F)(F)F)cc1Oc1ccccc1
Show InChI InChI=1S/C27H27F3O6/c1-18-16-22(10-8-20(18)9-13-26(31)32)33-15-14-19(2)34-24-12-11-23(36-27(28,29)30)17-25(24)35-21-6-4-3-5-7-21/h3-8,10-12,16-17,19H,9,13-15H2,1-2H3,(H,31,32)/t19-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 5n/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))
BDBM50194625
PNG
((R)-3-{2-methyl-4-[3-(2-phenoxy-4-trifluoromethoxy...)
Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(OC(F)(F)F)cc1Oc1ccccc1
Show InChI InChI=1S/C27H27F3O6/c1-18-16-22(10-8-20(18)9-13-26(31)32)33-15-14-19(2)34-24-12-11-23(36-27(28,29)30)17-25(24)35-21-6-4-3-5-7-21/h3-8,10-12,16-17,19H,9,13-15H2,1-2H3,(H,31,32)/t19-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 2n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation of human PPARdelta in CV1 cells by luciferase reporter gene assay


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair