BDBM50273441 (R)-2-(4-Chloro-6-(4'-cyanobiphenyl-4-ylamino)pyrimidin-2-ylthio)octanoic acid::CHEMBL457204

SMILES CCCCCC[C@@H](Sc1nc(Cl)cc(Nc2ccc(cc2)-c2ccc(cc2)C#N)n1)C(O)=O

InChI Key InChIKey=YDFXLGZNMAZWPZ-UHFFFAOYSA-N

Data  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50273441   

TargetProstaglandin E synthase(Human)
University of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50273441((R)-2-(4-Chloro-6-(4'-cyanobiphenyl-4-ylamino)pyri...)
Affinity DataIC50: 1.70E+3nMAssay Description:Inhibition of human microsomal PGES1 in cell-free system assessed as inhibition of conversion of PGH2 to PGE2 by HPLC assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2011
Entry Details Article
PubMed
TargetProstaglandin E synthase(Human)
University of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50273441((R)-2-(4-Chloro-6-(4'-cyanobiphenyl-4-ylamino)pyri...)
Affinity DataIC50: 1.60E+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

Curated by ChEMBL
LigandPNGBDBM50273441((R)-2-(4-Chloro-6-(4'-cyanobiphenyl-4-ylamino)pyri...)
Affinity DataIC50: 800nMAssay 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
TargetProstaglandin G/H synthase 1(Sheep)
Eberhard Karls University Tuebingen

Curated by ChEMBL
LigandPNGBDBM50273441((R)-2-(4-Chloro-6-(4'-cyanobiphenyl-4-ylamino)pyri...)
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
LigandPNGBDBM50273441((R)-2-(4-Chloro-6-(4'-cyanobiphenyl-4-ylamino)pyri...)
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