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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor gamma' and Ligand = 'BDBM50275922'   
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))
BDBM50275922
PNG
((S)-2-(4-chlorophenoxy)-3-(4-phenoxyphenyl)propano...)
Show SMILES OC(=O)[C@H](Cc1ccc(Oc2ccccc2)cc1)Oc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C21H17ClO4/c22-16-8-12-19(13-9-16)26-20(21(23)24)14-15-6-10-18(11-7-15)25-17-4-2-1-3-5-17/h1-13,20H,14H2,(H,23,24)/t20-/m0/s1
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Article
PubMed
n/an/an/an/a 870n/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in human HepG2 cells cotransfected with Gal4 by luciferase reporter gene assay


Bioorg Med Chem 16: 9498-510 (2008)


Article DOI: 10.1016/j.bmc.2008.09.045
BindingDB Entry DOI: 10.7270/Q2CC10JC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50275922
PNG
((S)-2-(4-chlorophenoxy)-3-(4-phenoxyphenyl)propano...)
Show SMILES OC(=O)[C@H](Cc1ccc(Oc2ccccc2)cc1)Oc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C21H17ClO4/c22-16-8-12-19(13-9-16)26-20(21(23)24)14-15-6-10-18(11-7-15)25-17-4-2-1-3-5-17/h1-13,20H,14H2,(H,23,24)/t20-/m0/s1
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KEGG

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PC sid
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Article
PubMed
n/an/an/an/a 320n/an/an/an/a



Universit£ degli studi di Bari 'Aldo Moro'

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-fused PPARgamma (unknown origin) expressed in human HepG2 cells by transactivation assay


Eur J Med Chem 63: 321-32 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.015
BindingDB Entry DOI: 10.7270/Q29G5QRP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50275922
PNG
((S)-2-(4-chlorophenoxy)-3-(4-phenoxyphenyl)propano...)
Show SMILES OC(=O)[C@H](Cc1ccc(Oc2ccccc2)cc1)Oc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C21H17ClO4/c22-16-8-12-19(13-9-16)26-20(21(23)24)14-15-6-10-18(11-7-15)25-17-4-2-1-3-5-17/h1-13,20H,14H2,(H,23,24)/t20-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 320n/an/an/an/a



Universit£ degli studi di Bari 'Aldo Moro'

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-fused PPARgamma (unknown origin) expressed in human HepG2 cells by transactivation assay


Eur J Med Chem 63: 321-32 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.015
BindingDB Entry DOI: 10.7270/Q29G5QRP
More data for this
Ligand-Target Pair