BDBM24561 CHEMBL459722::Pirinixic acid-based compound, 6d::ethyl 2-{[4-chloro-6-(quinolin-6-ylamino)pyrimidin-2-yl]sulfanyl}octanoate

SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1)C(=O)OCC

InChI Key InChIKey=ORXHKXASVGJXOO-UHFFFAOYSA-N

Data  6 IC50  1 EC50

  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 6 hits for monomerid = 24561   

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

LigandPNGBDBM24561(ethyl 2-{[4-chloro-6-(quinolin-6-ylamino)pyrimidin...)
Affinity DataIC50: 1.90E+4nM EC50:  600nMpH: 7.4 T: 2°CAssay Description:For determination of the activity of 5-LO in 100000g supernatants, aliquots of the supernatants were added to reaction mix, and were preincubated wit...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/30/2008
Entry Details Article
PubMed
TargetProstaglandin E synthase(Human)
Eberhard Karls University Tuebingen

Curated by ChEMBL
LigandPNGBDBM24561(ethyl 2-{[4-chloro-6-(quinolin-6-ylamino)pyrimidin...)
Affinity DataIC50: 5.60E+3nMAssay Description:Inhibition of PGES1 in human A549 cell microsome assessed as PGE2 formation by cell-free assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2012
Entry Details Article
PubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Human)
Eberhard Karls University Tuebingen

LigandPNGBDBM24561(ethyl 2-{[4-chloro-6-(quinolin-6-ylamino)pyrimidin...)
Affinity DataIC50: 1.90E+4nMAssay Description:Inhibition of human recombinant 5-LO expressed in Escherichia coli by cell-free assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2012
Entry Details Article
PubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Human)
Eberhard Karls University Tuebingen

LigandPNGBDBM24561(ethyl 2-{[4-chloro-6-(quinolin-6-ylamino)pyrimidin...)
Affinity DataIC50: 600nMAssay Description:Inhibition of 5-LO in PMNL cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2012
Entry Details Article
PubMed
TargetProstaglandin G/H synthase 1(Sheep)
Eberhard Karls University Tuebingen

Curated by ChEMBL
LigandPNGBDBM24561(ethyl 2-{[4-chloro-6-(quinolin-6-ylamino)pyrimidin...)
Affinity DataIC50: 10nMAssay Description:Inhibition of ovine COX1More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2012
Entry Details Article
PubMed
TargetProstaglandin G/H synthase 2(Human)
Eberhard Karls University Tuebingen

Curated by ChEMBL
LigandPNGBDBM24561(ethyl 2-{[4-chloro-6-(quinolin-6-ylamino)pyrimidin...)
Affinity DataIC50: 10nMAssay Description:Inhibition of human recombinant COX2More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2012
Entry Details Article
PubMed