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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 = 'BDBM50245945'   
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


(Mus musculus)
BDBM50245945
PNG
(2-(4-((1-allyl-5-(4-tert-butylphenyl)-1H-pyrazole-...)
Show SMILES Cc1cc(CNC(=O)c2cc(-c3ccc(cc3)C(C)(C)C)n(CC=C)n2)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C29H35N3O4/c1-8-15-32-24(21-10-12-22(13-11-21)28(3,4)5)17-23(31-32)26(33)30-18-20-9-14-25(19(2)16-20)36-29(6,7)27(34)35/h8-14,16-17H,1,15,18H2,2-7H3,(H,30,33)(H,34,35)
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>2.50E+4n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARdelta receptor by cell based transient transfection assay


Bioorg Med Chem Lett 18: 6251-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.094
BindingDB Entry DOI: 10.7270/Q20Z733H
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50245945
PNG
(2-(4-((1-allyl-5-(4-tert-butylphenyl)-1H-pyrazole-...)
Show SMILES Cc1cc(CNC(=O)c2cc(-c3ccc(cc3)C(C)(C)C)n(CC=C)n2)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C29H35N3O4/c1-8-15-32-24(21-10-12-22(13-11-21)28(3,4)5)17-23(31-32)26(33)30-18-20-9-14-25(19(2)16-20)36-29(6,7)27(34)35/h8-14,16-17H,1,15,18H2,2-7H3,(H,30,33)(H,34,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>2.50E+4n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta receptor by cell based transient transfection assay


Bioorg Med Chem Lett 18: 6251-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.094
BindingDB Entry DOI: 10.7270/Q20Z733H
More data for this
Ligand-Target Pair