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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 = 'BDBM50131501'   
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))
BDBM50131501
PNG
(5-{3-[4-(4-Phenoxy-2-propyl-phenoxy)-butoxy]-pheny...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO5S/c1-2-9-20-18-24(34-22-11-4-3-5-12-22)14-15-25(20)33-17-7-6-16-32-23-13-8-10-21(19-23)26-27(30)29-28(31)35-26/h3-5,8,10-15,18-19,30H,2,6-7,9,16-17H2,1H3,(H,29,31)
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Article
PubMed
n/an/a 195n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Displacement of radio-labeled full agonist from PPARgamma receptor


Eur J Med Chem 46: 2513-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.040
BindingDB Entry DOI: 10.7270/Q2K35V05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50131501
PNG
(5-{3-[4-(4-Phenoxy-2-propyl-phenoxy)-butoxy]-pheny...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO5S/c1-2-9-20-18-24(34-22-11-4-3-5-12-22)14-15-25(20)33-17-7-6-16-32-23-13-8-10-21(19-23)26-27(30)29-28(31)35-26/h3-5,8,10-15,18-19,30H,2,6-7,9,16-17H2,1H3,(H,29,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
n/an/a 195n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human peroxisome proliferator activated receptor gamma


Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair