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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 = 'BDBM28756'   
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))
BDBM28756
PNG
(2-methyl-2-[2-methyl-4-({3-[4-(trifluoromethyl)phe...)
Show SMILES Cc1cc(OCc2nc(ns2)-c2ccc(cc2)C(F)(F)F)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C21H19F3N2O4S/c1-12-10-15(8-9-16(12)30-20(2,3)19(27)28)29-11-17-25-18(26-31-17)13-4-6-14(7-5-13)21(22,23)24/h4-10H,11H2,1-3H3,(H,27,28)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC sid
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Similars

Article
PubMed
n/an/an/an/a>3.00E+3n/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma-Gal4 in HEK293 cells by luciferase reporter assay


Bioorg Med Chem 16: 3321-41 (2008)


Article DOI: 10.1016/j.bmc.2007.12.005
BindingDB Entry DOI: 10.7270/Q28W3F5T
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28756
PNG
(2-methyl-2-[2-methyl-4-({3-[4-(trifluoromethyl)phe...)
Show SMILES Cc1cc(OCc2nc(ns2)-c2ccc(cc2)C(F)(F)F)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C21H19F3N2O4S/c1-12-10-15(8-9-16(12)30-20(2,3)19(27)28)29-11-17-25-18(26-31-17)13-4-6-14(7-5-13)21(22,23)24/h4-10H,11H2,1-3H3,(H,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/an/an/a>3.00E+3n/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The HEK293 cells were co-transfected with DNA constructs containing the ligand-binding domain of PPAR and Gal4-luciferase reporter. The luciferase ac...


J Med Chem 50: 3954-63 (2007)


Article DOI: 10.1021/jm070511x
BindingDB Entry DOI: 10.7270/Q2H41PR5
More data for this
Ligand-Target Pair