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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor delta' and Ligand = 'BDBM50244610'   
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))
BDBM50244610
PNG
((S)-2-(2-fluoro-5-((3-(4-methoxybenzoyl)-2-methyl-...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(Cc2ccc(F)c(O[C@@H](C)C(O)=O)c2)c2ncccc12 |r|
Show InChI InChI=1S/C26H23FN2O5/c1-15-23(24(30)18-7-9-19(33-3)10-8-18)20-5-4-12-28-25(20)29(15)14-17-6-11-21(27)22(13-17)34-16(2)26(31)32/h4-13,16H,14H2,1-3H3,(H,31,32)/t16-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to PPARdelta


Bioorg Med Chem Lett 18: 4798-801 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.103
BindingDB Entry DOI: 10.7270/Q2BC3ZC5
More data for this
Ligand-Target Pair