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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 = 'BDBM50179246'   
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))
BDBM50179246
PNG
(2-{4-[3-(2-phenyl-7-propyl-1H-indol-6-yloxy)propox...)
Show SMILES CCCc1c(OCCCOc2cccc3n(CC(O)=O)ccc23)ccc2cc([nH]c12)-c1ccccc1
Show InChI InChI=1S/C30H30N2O4/c1-2-8-24-28(14-13-22-19-25(31-30(22)24)21-9-4-3-5-10-21)36-18-7-17-35-27-12-6-11-26-23(27)15-16-32(26)20-29(33)34/h3-6,9-16,19,31H,2,7-8,17-18,20H2,1H3,(H,33,34)
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MMDB

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Similars

Article
PubMed
n/an/a 1.68E+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))
BDBM50179246
PNG
(2-{4-[3-(2-phenyl-7-propyl-1H-indol-6-yloxy)propox...)
Show SMILES CCCc1c(OCCCOc2cccc3n(CC(O)=O)ccc23)ccc2cc([nH]c12)-c1ccccc1
Show InChI InChI=1S/C30H30N2O4/c1-2-8-24-28(14-13-22-19-25(31-30(22)24)21-9-4-3-5-10-21)36-18-7-17-35-27-12-6-11-26-23(27)15-16-32(26)20-29(33)34/h3-6,9-16,19,31H,2,7-8,17-18,20H2,1H3,(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 2.82E+3n/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