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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 = 'BDBM50229215'   
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))
BDBM50229215
PNG
(CHEMBL254540 | N-(4-((2H-tetrazol-5-yl)methoxy)ben...)
Show SMILES Cc1nc(sc1C(=O)NCc1ccc(OCc2nnn[nH]2)cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H17F3N6O2S/c1-12-18(33-20(26-12)14-4-6-15(7-5-14)21(22,23)24)19(31)25-10-13-2-8-16(9-3-13)32-11-17-27-29-30-28-17/h2-9H,10-11H2,1H3,(H,25,31)(H,27,28,29,30)
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta assessed as receptor activation by cell based assay


Bioorg Med Chem Lett 18: 710-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.053
BindingDB Entry DOI: 10.7270/Q2542NBN
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Mus musculus)
BDBM50229215
PNG
(CHEMBL254540 | N-(4-((2H-tetrazol-5-yl)methoxy)ben...)
Show SMILES Cc1nc(sc1C(=O)NCc1ccc(OCc2nnn[nH]2)cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H17F3N6O2S/c1-12-18(33-20(26-12)14-4-6-15(7-5-14)21(22,23)24)19(31)25-10-13-2-8-16(9-3-13)32-11-17-27-29-30-28-17/h2-9H,10-11H2,1H3,(H,25,31)(H,27,28,29,30)
PDB
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UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARdelta assessed as receptor activation by cell based assay


Bioorg Med Chem Lett 18: 710-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.053
BindingDB Entry DOI: 10.7270/Q2542NBN
More data for this
Ligand-Target Pair