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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 = 'BDBM50244702'   
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))
BDBM50244702
PNG
((S)-2-(2-chloro-5-((6-methoxy-3-(4-methoxybenzoyl)...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(Cc2ccc(Cl)c(O[C@@H](C)C(O)=O)c2)c2nc(OC)ccc12 |r|
Show InChI InChI=1S/C27H25ClN2O6/c1-15-24(25(31)18-6-8-19(34-3)9-7-18)20-10-12-23(35-4)29-26(20)30(15)14-17-5-11-21(28)22(13-17)36-16(2)27(32)33/h5-13,16H,14H2,1-4H3,(H,32,33)/t16-/m0/s1
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PC cid
PC sid
UniChem

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