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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 = 'BDBM50205088'   
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))
BDBM50205088
PNG
(2-((3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benz...)
Show SMILES Cc1oc(nc1CCOc1cccc(CN(CC(O)=O)Cc2ccccc2)c1)-c1ccccc1
Show InChI InChI=1S/C28H28N2O4/c1-21-26(29-28(34-21)24-12-6-3-7-13-24)15-16-33-25-14-8-11-23(17-25)19-30(20-27(31)32)18-22-9-4-2-5-10-22/h2-14,17H,15-16,18-20H2,1H3,(H,31,32)
PDB
MMDB

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KEGG

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Article
PubMed
n/an/a 240n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of fluorescein labeled ligand from PPARgamma receptor by fluorescence polarization assay


Bioorg Med Chem Lett 17: 2312-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.060
BindingDB Entry DOI: 10.7270/Q21N80ST
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50205088
PNG
(2-((3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benz...)
Show SMILES Cc1oc(nc1CCOc1cccc(CN(CC(O)=O)Cc2ccccc2)c1)-c1ccccc1
Show InChI InChI=1S/C28H28N2O4/c1-21-26(29-28(34-21)24-12-6-3-7-13-24)15-16-33-25-14-8-11-23(17-25)19-30(20-27(31)32)18-22-9-4-2-5-10-22/h2-14,17H,15-16,18-20H2,1H3,(H,31,32)
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 295n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma receptor expressed in HEK293 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 2312-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.060
BindingDB Entry DOI: 10.7270/Q21N80ST
More data for this
Ligand-Target Pair