BDBM50344895 2-(4-(3-(4-chloro-2-methoxyphenoxy)propoxy)phenylthio)hexanoic acid::CHEMBL1780184

SMILES CCCCC(Sc1ccc(OCCCOc2ccc(Cl)cc2OC)cc1)C(O)=O

InChI Key InChIKey=URSICMCCELQDGV-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50344895   

TargetPolyunsaturated fatty acid 5-lipoxygenase(Human)
Eberhard Karls University Tuebingen

Curated by ChEMBL
LigandPNGBDBM50344895(2-(4-(3-(4-chloro-2-methoxyphenoxy)propoxy)phenylt...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli BL21 assessed as enzyme product formation using arachidonic acid as subs...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/5/2011
Entry Details Article
PubMed
TargetProstaglandin E synthase(Human)
Eberhard Karls University Tuebingen

Curated by ChEMBL
LigandPNGBDBM50344895(2-(4-(3-(4-chloro-2-methoxyphenoxy)propoxy)phenylt...)
Affinity DataIC50: 9.40E+3nMAssay Description:Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 after 15 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/5/2011
Entry Details Article
PubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Human)
Eberhard Karls University Tuebingen

Curated by ChEMBL
LigandPNGBDBM50344895(2-(4-(3-(4-chloro-2-methoxyphenoxy)propoxy)phenylt...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of 5-lipoxygenase in A23187-stimulated human PMNL assessed as enzyme product formation preincubated 15 mins by RP-HPLC analysis in presenc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/5/2011
Entry Details Article
PubMed