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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor gamma' and Ligand = 'BDBM50049239'   
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 gamma


(Mus musculus)
BDBM50049239
PNG
(5-[1-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]...)
Show SMILES CN(CCOc1ccc(C=C2SC(O)=NC2=O)cc1)c1nc2ccccc2o1 |w:9.8,c:13|
Show InChI InChI=1S/C20H17N3O4S/c1-23(19-21-15-4-2-3-5-16(15)27-19)10-11-26-14-8-6-13(7-9-14)12-17-18(24)22-20(25)28-17/h2-9,12H,10-11H2,1H3,(H,22,24,25)
PDB
MMDB

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Article
PubMed
n/an/an/an/a 140n/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro transcriptional activation of Peroxisome proliferator activated receptor gamma (PPAR) expressed in CV-1 cells


J Med Chem 39: 665-8 (1996)


Article DOI: 10.1021/jm950395a
BindingDB Entry DOI: 10.7270/Q2H9949G
More data for this
Ligand-Target Pair