BDBM50057540 4-[2-(4-Sulfamoyl-phenyl)-5-trifluoromethyl-2H-pyrazol-3-yl]-benzoic acid::CHEMBL743::Carboxylic acid metabolite of celecoxib

SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C(O)=O)C(F)(F)F

InChI Key InChIKey=WTHNOVFEXONZMI-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 50057540   

TargetProstaglandin G/H synthase 2(Human)
Searle Research and Development

Curated by ChEMBL
LigandPNGBDBM50057540(4-[2-(4-Sulfamoyl-phenyl)-5-trifluoromethyl-2H-pyr...)
Affinity DataIC50: 1.12E+4nMAssay Description:In vitro inhibitory concentration required to block human recombinant prostaglandin G/H synthase 2 (COX-2)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetProstaglandin G/H synthase 2(Mouse)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50057540(4-[2-(4-Sulfamoyl-phenyl)-5-trifluoromethyl-2H-pyr...)
Affinity DataIC50: 1.12E+4nMAssay Description:Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/20/2013
Entry Details Article
PubMed
TargetProstaglandin G/H synthase 1(Human)
Searle Research and Development

Curated by ChEMBL
LigandPNGBDBM50057540(4-[2-(4-Sulfamoyl-phenyl)-5-trifluoromethyl-2H-pyr...)
Affinity DataIC50: 2.50E+5nMAssay Description:In vitro inhibitory concentration required to block recombinant human prostaglandin G/H synthase 1 (COX-1)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetProstaglandin G/H synthase 1(Sheep)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50057540(4-[2-(4-Sulfamoyl-phenyl)-5-trifluoromethyl-2H-pyr...)
Affinity DataIC50: 2.51E+5nMAssay Description:Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/20/2013
Entry Details Article
PubMed