BDBM50344892 CHEMBL1780187::ethyl 2-(4-(3-(quinolin-6-yloxy)propoxy)phenylthio)hexanoate

SMILES CCCCC(Sc1ccc(OCCCOc2ccc3ncccc3c2)cc1)C(=O)OCC

InChI Key InChIKey=FFSHRRMQIQKVCO-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 = 50344892   

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

Curated by ChEMBL
LigandPNGBDBM50344892(ethyl 2-(4-(3-(quinolin-6-yloxy)propoxy)phenylthio...)
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
TargetPolyunsaturated fatty acid 5-lipoxygenase(Human)
Eberhard Karls University Tuebingen

Curated by ChEMBL
LigandPNGBDBM50344892(ethyl 2-(4-(3-(quinolin-6-yloxy)propoxy)phenylthio...)
Affinity DataIC50: 800nMAssay 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
TargetProstaglandin E synthase(Human)
Eberhard Karls University Tuebingen

Curated by ChEMBL
LigandPNGBDBM50344892(ethyl 2-(4-(3-(quinolin-6-yloxy)propoxy)phenylthio...)
Affinity DataIC50: 1.00E+4nMAssay 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