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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 = 'BDBM50196246'   
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))
BDBM50196246
PNG
(2-(1-(3-(6-benzoyl-1-propylnaphthalen-2-yloxy)prop...)
Show SMILES CCCc1c(OCCCn2ccc3cc(OC(C)(C)C(O)=O)ccc23)ccc2cc(ccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C35H35NO5/c1-4-9-30-29-15-12-27(33(37)24-10-6-5-7-11-24)22-25(29)13-17-32(30)40-21-8-19-36-20-18-26-23-28(14-16-31(26)36)41-35(2,3)34(38)39/h5-7,10-18,20,22-23H,4,8-9,19,21H2,1-3H3,(H,38,39)
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MMDB

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Article
PubMed
n/an/an/an/a 650n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma receptor by cell based transactivation assay


J Med Chem 52: 2618-22 (2009)


Article DOI: 10.1021/jm801594x
BindingDB Entry DOI: 10.7270/Q2SJ1KGZ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50196246
PNG
(2-(1-(3-(6-benzoyl-1-propylnaphthalen-2-yloxy)prop...)
Show SMILES CCCc1c(OCCCn2ccc3cc(OC(C)(C)C(O)=O)ccc23)ccc2cc(ccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C35H35NO5/c1-4-9-30-29-15-12-27(33(37)24-10-6-5-7-11-24)22-25(29)13-17-32(30)40-21-8-19-36-20-18-26-23-28(14-16-31(26)36)41-35(2,3)34(38)39/h5-7,10-18,20,22-23H,4,8-9,19,21H2,1-3H3,(H,38,39)
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 650n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Activity at human PPAR gamma in Huh7 cells by transactivation assay


J Med Chem 49: 6421-4 (2006)


Article DOI: 10.1021/jm060663c
BindingDB Entry DOI: 10.7270/Q2C53KG6
More data for this
Ligand-Target Pair