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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 = 'BDBM50418149'   
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))
BDBM50418149
PNG
(CHEMBL1760412)
Show SMILES CCCCN(c1cccc(-c2ccc(Cl)cc2)c1OC)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C
Show InChI InChI=1S/C28H32ClNO6S/c1-6-7-17-30(24-10-8-9-23(27(24)35-5)21-11-13-22(29)14-12-21)37(33,34)26-16-15-25(18(2)19(26)3)36-20(4)28(31)32/h8-16,20H,6-7,17H2,1-5H3,(H,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay


Bioorg Med Chem Lett 21: 2345-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.077
BindingDB Entry DOI: 10.7270/Q2M61MHT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50418149
PNG
(CHEMBL1760412)
Show SMILES CCCCN(c1cccc(-c2ccc(Cl)cc2)c1OC)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C
Show InChI InChI=1S/C28H32ClNO6S/c1-6-7-17-30(24-10-8-9-23(27(24)35-5)21-11-13-22(29)14-12-21)37(33,34)26-16-15-25(18(2)19(26)3)36-20(4)28(31)32/h8-16,20H,6-7,17H2,1-5H3,(H,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 20n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARdelta expressed in african green monkey CV1 cells transfected with Gal4 assessed as beta-galactosidase activity...


Bioorg Med Chem Lett 21: 2345-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.077
BindingDB Entry DOI: 10.7270/Q2M61MHT
More data for this
Ligand-Target Pair