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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 = 'BDBM50179239'   
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))
BDBM50179239
PNG
(2-{4-[3-methyl-5-(7-propyl-3-trifluoromethylbenzo[...)
Show SMILES CCCc1c(OCCC(C)CCOc2cccc3n(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C27H29F3N2O5/c1-3-5-19-23(9-8-20-25(19)37-31-26(20)27(28,29)30)36-15-12-17(2)11-14-35-22-7-4-6-21-18(22)10-13-32(21)16-24(33)34/h4,6-10,13,17H,3,5,11-12,14-16H2,1-2H3,(H,33,34)
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MMDB

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Article
PubMed
n/an/a 1.45E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human PPAR gamma by SPA assay


J Med Chem 48: 8194-208 (2005)


Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50179239
PNG
(2-{4-[3-methyl-5-(7-propyl-3-trifluoromethylbenzo[...)
Show SMILES CCCc1c(OCCC(C)CCOc2cccc3n(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C27H29F3N2O5/c1-3-5-19-23(9-8-20-25(19)37-31-26(20)27(28,29)30)36-15-12-17(2)11-14-35-22-7-4-6-21-18(22)10-13-32(21)16-24(33)34/h4,6-10,13,17H,3,5,11-12,14-16H2,1-2H3,(H,33,34)
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>1.00E+4n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


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


J Med Chem 48: 8194-208 (2005)


Article DOI: 10.1021/jm0506930
BindingDB Entry DOI: 10.7270/Q2R78DS5
More data for this
Ligand-Target Pair