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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 = 'BDBM50179249'   
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))
BDBM50179249
PNG
(2-ethyl-2-{4-[3-(7-propyl-3-trifluoromethylbenzo[d...)
Show SMILES CCCc1c(OCCCOc2cccc3n(ccc23)C(CC)C(O)=O)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C26H27F3N2O5/c1-3-7-17-22(11-10-18-23(17)36-30-24(18)26(27,28)29)35-15-6-14-34-21-9-5-8-20-16(21)12-13-31(20)19(4-2)25(32)33/h5,8-13,19H,3-4,6-7,14-15H2,1-2H3,(H,32,33)
PDB
MMDB

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Similars

Article
PubMed
n/an/a 1.28E+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))
BDBM50179249
PNG
(2-ethyl-2-{4-[3-(7-propyl-3-trifluoromethylbenzo[d...)
Show SMILES CCCc1c(OCCCOc2cccc3n(ccc23)C(CC)C(O)=O)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C26H27F3N2O5/c1-3-7-17-22(11-10-18-23(17)36-30-24(18)26(27,28)29)35-15-6-14-34-21-9-5-8-20-16(21)12-13-31(20)19(4-2)25(32)33/h5,8-13,19H,3-4,6-7,14-15H2,1-2H3,(H,32,33)
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