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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 = 'BDBM50376411'   
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))
BDBM50376411
PNG
(CHEMBL401829)
Show SMILES COc1ccc(OC(=O)N(CC(O)=O)Cc2ccc(OCCC(=O)NC(=O)c3ccccc3)cc2)cc1
Show InChI InChI=1S/C27H26N2O8/c1-35-21-11-13-23(14-12-21)37-27(34)29(18-25(31)32)17-19-7-9-22(10-8-19)36-16-15-24(30)28-26(33)20-5-3-2-4-6-20/h2-14H,15-18H2,1H3,(H,31,32)(H,28,30,33)
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/a>1.50E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity at PPAR gamma receptor


Drug Metab Dispos 35: 150-67 (2006)


Article DOI: 10.1124/dmd.106.012450
BindingDB Entry DOI: 10.7270/Q2JS9R92
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50376411
PNG
(CHEMBL401829)
Show SMILES COc1ccc(OC(=O)N(CC(O)=O)Cc2ccc(OCCC(=O)NC(=O)c3ccccc3)cc2)cc1
Show InChI InChI=1S/C27H26N2O8/c1-35-21-11-13-23(14-12-21)37-27(34)29(18-25(31)32)17-19-7-9-22(10-8-19)36-16-15-24(30)28-26(33)20-5-3-2-4-6-20/h2-14H,15-18H2,1H3,(H,31,32)(H,28,30,33)
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/a>2.50E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at PPAR gamma in human HEK cells by transactivation assay


Drug Metab Dispos 35: 150-67 (2006)


Article DOI: 10.1124/dmd.106.012450
BindingDB Entry DOI: 10.7270/Q2JS9R92
More data for this
Ligand-Target Pair