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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 = 'BDBM28694'   
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))
BDBM28694
PNG
(2-({3-[(5-methoxy-4-methyl-1H-indole-1-)sulfonyl]b...)
Show SMILES COc1ccc2n(ccc2c1C)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(C)cc1C(O)=O
Show InChI InChI=1S/C25H22N2O6S/c1-15-7-8-21(20(13-15)25(29)30)26-24(28)17-5-4-6-18(14-17)34(31,32)27-12-11-19-16(2)23(33-3)10-9-22(19)27/h4-14H,1-3H3,(H,26,28)(H,29,30)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/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))
BDBM28694
PNG
(2-({3-[(5-methoxy-4-methyl-1H-indole-1-)sulfonyl]b...)
Show SMILES COc1ccc2n(ccc2c1C)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(C)cc1C(O)=O
Show InChI InChI=1S/C25H22N2O6S/c1-15-7-8-21(20(13-15)25(29)30)26-24(28)17-5-4-6-18(14-17)34(31,32)27-12-11-19-16(2)23(33-3)10-9-22(19)27/h4-14H,1-3H3,(H,26,28)(H,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/a 13n/an/an/an/a



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...


Bioorg Med Chem Lett 18: 5018-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.011
BindingDB Entry DOI: 10.7270/Q2WD3XWS
More data for this
Ligand-Target Pair