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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor gamma' and Ligand = 'BDBM50193744'   
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))
BDBM50193744
PNG
(1-(3-(trifluoromethyl)benzyl)-N-(4-fluorophenylsul...)
Show SMILES COc1ccc(cc1)-c1c(C(=O)NS(=O)(=O)c2ccc(F)cc2)n(Cc2cccc(c2)C(F)(F)F)c2ccccc12
Show InChI InChI=1S/C30H22F4N2O4S/c1-40-23-13-9-20(10-14-23)27-25-7-2-3-8-26(25)36(18-19-5-4-6-21(17-19)30(32,33)34)28(27)29(37)35-41(38,39)24-15-11-22(31)12-16-24/h2-17H,18H2,1H3,(H,35,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of Fluormone from PPAR gamma


Bioorg Med Chem Lett 16: 5659-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.003
BindingDB Entry DOI: 10.7270/Q2K35T8B
More data for this
Ligand-Target Pair