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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 = 'BDBM50229222'   
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))
BDBM50229222
PNG
(CHEMBL253109 | N-(4-(butylsulfonamido)benzyl)-4-me...)
Show SMILES CCCCS(=O)(=O)Nc1ccc(CNC(=O)c2sc(nc2C)-c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C23H24F3N3O3S2/c1-3-4-13-34(31,32)29-19-11-5-16(6-12-19)14-27-21(30)20-15(2)28-22(33-20)17-7-9-18(10-8-17)23(24,25)26/h5-12,29H,3-4,13-14H2,1-2H3,(H,27,30)
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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)
BDBM50229222
PNG
(CHEMBL253109 | N-(4-(butylsulfonamido)benzyl)-4-me...)
Show SMILES CCCCS(=O)(=O)Nc1ccc(CNC(=O)c2sc(nc2C)-c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C23H24F3N3O3S2/c1-3-4-13-34(31,32)29-19-11-5-16(6-12-19)14-27-21(30)20-15(2)28-22(33-20)17-7-9-18(10-8-17)23(24,25)26/h5-12,29H,3-4,13-14H2,1-2H3,(H,27,30)
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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