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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor gamma' and Ligand = 'BDBM50151000'   
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


(Homo sapiens (Human))
BDBM50151000
PNG
(5-{4-[2-(4-Ethyl-phenyl)-ethoxy]-benzyl}-thiazolid...)
Show SMILES CCc1ccc(CCOc2ccc(Cc3sc(=O)[nH]c3O)cc2)cc1
Show InChI InChI=1S/C20H21NO3S/c1-2-14-3-5-15(6-4-14)11-12-24-17-9-7-16(8-10-17)13-18-19(22)21-20(23)25-18/h3-10,22H,2,11-13H2,1H3,(H,21,23)
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
1.20E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity for human peroxisome proliferator activated receptor gamma


J Med Chem 47: 4118-27 (2004)


Article DOI: 10.1021/jm030631e
BindingDB Entry DOI: 10.7270/Q2DR2TZ5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50151000
PNG
(5-{4-[2-(4-Ethyl-phenyl)-ethoxy]-benzyl}-thiazolid...)
Show SMILES CCc1ccc(CCOc2ccc(Cc3sc(=O)[nH]c3O)cc2)cc1
Show InChI InChI=1S/C20H21NO3S/c1-2-14-3-5-15(6-4-14)11-12-24-17-9-7-16(8-10-17)13-18-19(22)21-20(23)25-18/h3-10,22H,2,11-13H2,1H3,(H,21,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 580n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Effective concentration against human peroxisome proliferator activated receptor gamma in Gal4 transactivation assay


J Med Chem 47: 4118-27 (2004)


Article DOI: 10.1021/jm030631e
BindingDB Entry DOI: 10.7270/Q2DR2TZ5
More data for this
Ligand-Target Pair