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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 = 'BDBM50217327'   
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))
BDBM50217327
PNG
(CHEMBL116043)
Show SMILES OC(=O)Cc1ccc2[nH]c(c(CCc3ccc(F)cc3)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C24H19F2NO2/c25-18-7-1-15(2-8-18)3-11-20-21-13-16(14-23(28)29)4-12-22(21)27-24(20)17-5-9-19(26)10-6-17/h1-2,4-10,12-13,27H,3,11,14H2,(H,28,29)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
490n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against Peroxisome proliferator activated receptor gamma (PPAR gamma)


Bioorg Med Chem Lett 9: 3329-34 (2000)


BindingDB Entry DOI: 10.7270/Q2FN15FG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50217327
PNG
(CHEMBL116043)
Show SMILES OC(=O)Cc1ccc2[nH]c(c(CCc3ccc(F)cc3)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C24H19F2NO2/c25-18-7-1-15(2-8-18)3-11-20-21-13-16(14-23(28)29)4-12-22(21)27-24(20)17-5-9-19(26)10-6-17/h1-2,4-10,12-13,27H,3,11,14H2,(H,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 339n/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Transcriptional activation of peroxisome proliferator activated receptor gamma


Bioorg Med Chem Lett 9: 3329-34 (2000)


BindingDB Entry DOI: 10.7270/Q2FN15FG
More data for this
Ligand-Target Pair