BDBM22369 4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofuran-2-one::CHEMBL122::MK 0966::Rofecoxib::US11478464, Compound Rofecoxib::US11786535, Compound Rofecoxib

SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1

InChI Key InChIKey=RZJQGNCSTQAWON-UHFFFAOYSA-N

Data  26 KI  170 IC50

PDB links: 1 PDB ID matches this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 196 hits for monomerid = 22369   

TargetProstaglandin G/H synthase 1(Sheep)
University of Alberta

LigandPNGBDBM22369(CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...)
Affinity DataIC50: 1.00E+5nMpH: 8.0 T: 2°CAssay Description:The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The as...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin G/H synthase 2(Human)
University of Alberta

LigandPNGBDBM22369(CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...)
Affinity DataIC50: 500nMpH: 8.0 T: 2°CAssay Description:The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The as...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetProstaglandin G/H synthase 1(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM22369(CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...)
Affinity DataIC50: 1.50E+4nMAssay Description:In vitro inhibitory activity against human whole cells Prostaglandin G/H synthase 1More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin G/H synthase 1(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM22369(CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...)
Affinity DataIC50: 1.90E+4nMAssay Description:Inhibitory activity against Prostaglandin G/H synthase 1 in human whole bloodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin G/H synthase 1(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM22369(CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...)
Affinity DataIC50: 1.90E+4nMAssay Description:In vitro inhibitory potency against human COX-1 (HWB COX-2) by whole blood assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin G/H synthase 2(Human)
University of Alberta

LigandPNGBDBM22369(CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...)
Affinity DataIC50: 20nMAssay Description:In vitro inhibitory potency against human COX-2 in stably transfected chinese hamster ovary (CHO) cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetProstaglandin G/H synthase 1(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM22369(CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...)
Affinity DataIC50: 1.88E+4nMAssay Description:The compound was evaluated for its inhibitory activity against COX- 1.More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin G/H synthase 2(Human)
University of Alberta

LigandPNGBDBM22369(CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...)
Affinity DataIC50: 500nMAssay Description:In vitro inhibitory potency against human COX-2 (HWB COX-2) by whole blood assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetProstaglandin G/H synthase 1(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM22369(CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...)
Affinity DataIC50: 2.00E+3nMAssay Description:In vitro inhibitory potency against U-937 microsomal COX-1More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin G/H synthase 1(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM22369(CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...)
Affinity DataIC50: 2.00E+3nMAssay Description:Inhibition of COX-1 in U-937 (human lymphoma) cell microsomes.More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin G/H synthase 1(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM22369(CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...)
Affinity DataIC50: 5.00E+5nMAssay Description:In vitro inhibitory activity against recombinant human Prostaglandin G/H synthase 1More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin G/H synthase 1(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM22369(CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...)
Affinity DataIC50: 1.14E+4nMAssay Description:Inhibitory activity against Prostaglandin G/H synthase 1 in human whole blood assay as TXB2 generationMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin G/H synthase 1(Sheep)
University of Alberta

LigandPNGBDBM22369(CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...)
Affinity DataIC50: 5.00E+5nMAssay Description:In vitro inhibition against ovine Prostaglandin G/H synthase 1More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin G/H synthase 2(Human)
University of Alberta

LigandPNGBDBM22369(CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...)
Affinity DataIC50: 830nMAssay Description:Tested in vitro for inhibition of cyclooxygenase-2 in human blood assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetProstaglandin G/H synthase 2(Human)
University of Alberta

LigandPNGBDBM22369(CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...)
Affinity DataIC50: 280nMAssay Description:In vitro inhibition of PGE-2 generation by LPS-stimulated monocytes isolated from human blood.More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetProstaglandin G/H synthase 1(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM22369(CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...)
Affinity DataIC50: 1.83E+4nMAssay Description:Tested in vitro for inhibition of cyclooxygenase-1 in human blood assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin G/H synthase 1(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM22369(CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...)
Affinity DataIC50: 1.00E+4nMAssay Description:The compound was evaluated for its inhibitory activity against Prostaglandin G/H synthase 1 using monocytes-like cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin G/H synthase 1(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM22369(CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...)
Affinity DataIC50: 5.00E+5nMAssay Description:In vitro inhibitory concentration of compound required to inhibit Prostaglandin G/H synthase 1 enzyme was determinedMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin G/H synthase 1(Sheep)
University of Alberta

LigandPNGBDBM22369(CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...)
Affinity DataIC50: 5.00E+5nMAssay Description:In vitro inhibitory activity against prostaglandin G/H synthase 1 from ovineMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin G/H synthase 2(Sheep)
University of Alberta

Curated by ChEMBL
LigandPNGBDBM22369(CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...)
Affinity DataIC50: 430nMAssay Description:In vitro inhibitory activity against prostaglandin G/H synthase 2 from ovineMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetProstaglandin G/H synthase 1(Sheep)
University of Alberta

LigandPNGBDBM22369(CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...)
Affinity DataIC50: 5.00E+5nMAssay Description:In vitro inhibitory activity against prostaglandin G/H synthase 1 from ovineMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin G/H synthase 1(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM22369(CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...)
Affinity DataIC50: 1.90E+4nMAssay Description:Inhibitory concentration was measured against Prostaglandin G/H synthase 1 in human whole bloodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin G/H synthase 2(Human)
University of Alberta

LigandPNGBDBM22369(CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...)
Affinity DataIC50: 500nMAssay Description:Inhibitory of human Prostaglandin G/H synthase 2 expressed in CHO cells.More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetProstaglandin G/H synthase 1(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM22369(CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...)
Affinity DataIC50: 1.88E+4nMAssay Description:Inhibitory potency against Prostaglandin G/H synthase 1 in human whole blood assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin G/H synthase 2(Sheep)
University of Alberta

Curated by ChEMBL
LigandPNGBDBM22369(CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...)
Affinity DataIC50: 500nMAssay Description:In vitro inhibitory concentration against ovine Cyclooxygenase-2More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetProstaglandin G/H synthase 1(Sheep)
University of Alberta

LigandPNGBDBM22369(CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...)
Affinity DataIC50: 1.00E+5nMAssay Description:In vitro inhibitory concentration against ovine Cyclooxygenase-1More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin G/H synthase 1(Sheep)
University of Alberta

LigandPNGBDBM22369(CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...)
Affinity DataIC50: 5.00E+5nMAssay Description:Inhibition of purified ovine COX-1 by enzyme immunoassayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin G/H synthase 1(Sheep)
University of Alberta

LigandPNGBDBM22369(CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...)
Affinity DataIC50: 5.00E+5nMAssay Description:Inhibition of purified ovine COX-1 by enzyme immunoassayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin G/H synthase 2(Human)
University of Alberta

LigandPNGBDBM22369(CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...)
Affinity DataIC50: 360nMAssay Description:Inhibition of human recombinant COX-2 by enzyme immunoassayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetProstaglandin G/H synthase 2(Human)
University of Alberta

LigandPNGBDBM22369(CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...)
Affinity DataIC50: 5.00E+5nMAssay Description:Inhibition of human recombinant COX-2 by enzyme immunoassayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetProstaglandin G/H synthase 2(Human)
University of Alberta

LigandPNGBDBM22369(CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...)
Affinity DataIC50: 300nMAssay Description:Compound was tested for the inhibition of human Prostaglandin G/H synthase 2 (COX-2) in human whole bloodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetProstaglandin G/H synthase 1(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM22369(CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...)
Affinity DataIC50: 1.00E+5nMAssay Description:Compound was tested for the inhibition of recombinant human Prostaglandin G/H synthase 1 (COX-1)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin G/H synthase 1(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM22369(CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...)
Affinity DataIC50: 4.00E+4nMAssay Description:Compound was tested for the inhibition of human Prostaglandin G/H synthase 1 (COX-1) in human whole bloodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin G/H synthase 2(Human)
University of Alberta

LigandPNGBDBM22369(CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...)
Affinity DataIC50: 3.40E+3nMAssay Description:Inhibitory effect on Prostaglandin G/H synthase 2 activity was evaluated in human whole blood as LPS-induced PGE-2 generationMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetProstaglandin G/H synthase 1(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM22369(CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...)
Affinity DataIC50: 2.87E+4nMAssay Description:Inhibitory effect on Prostaglandin G/H synthase 1 activity was evaluated in human whole blood as TXB2 productionMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin G/H synthase 1(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM22369(CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of arachidonic acid induced TXB2 generation in isolated human platelets (Prostaglandin G/H synthase 1 cell assay)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin G/H synthase 1(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM22369(CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...)
Affinity DataIC50: 4.00E+4nMAssay Description:Compound was evaluated for inhibition concentration of prostaglandin G/H synthase 1 in human bloodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin G/H synthase 1(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM22369(CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...)
Affinity DataIC50: 1.14E+4nMAssay Description:Inhibition concentration against cyclooxygenase-1 (COX-1) in human whole bloodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin G/H synthase 1(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM22369(CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human cyclooxygenase-1 expressed in COS cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin G/H synthase 1(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM22369(CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...)
Affinity DataIC50: 4.00E+4nMAssay Description:In vitro inhibition of Prostaglandin G/H synthase 1 in human whole bloodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin G/H synthase 1(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM22369(CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...)
Affinity DataIC50: 2.60E+4nMAssay Description:Inhibitory concentration against Prostaglandin G/H synthase 1More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin G/H synthase 2(Human)
University of Alberta

LigandPNGBDBM22369(CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...)
Affinity DataIC50: 340nMAssay Description:Inhibitory concentration against Prostaglandin G/H synthase 2More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetProstaglandin G/H synthase 1(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM22369(CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...)
Affinity DataIC50: 1.60E+5nMAssay Description:Inhibitory concentration against Prostaglandin G/H synthase 1More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin G/H synthase 2(Human)
University of Alberta

LigandPNGBDBM22369(CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...)
Affinity DataIC50: 12nMAssay Description:In vitro inhibitory activity against human Prostaglandin G/H synthase 2 (COX-2) in 143982 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetProstaglandin G/H synthase 1(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM22369(CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...)
Affinity DataIC50: 1.00E+4nMAssay Description:In vitro inhibitory activity against human Prostaglandin G/H synthase 1 (COX-1) in U-937 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin G/H synthase 1(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM22369(CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...)
Affinity DataIC50: 6.20E+4nMAssay Description:In vitro inhibitory concentration against Prostaglandin G/H synthase 1 (COX-1) in human whole bloodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin G/H synthase 1(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM22369(CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...)
Affinity DataIC50: 6.40E+4nMAssay Description:Inhibition of COX1 in human whole blood assessed as TxB2 production after 1 hrMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin G/H synthase 2(Human)
University of Alberta

LigandPNGBDBM22369(CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...)
Affinity DataIC50: 20nMAssay Description:Inhibition of PGE-2 production in CHO cells expressing human COX-2.More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetProstaglandin G/H synthase 1(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM22369(CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...)
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of COX1More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin G/H synthase 2(Human)
University of Alberta

LigandPNGBDBM22369(CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...)
Affinity DataIC50: 500nMAssay Description:Inhibition of Prostaglandin G/H synthase 2 in human whole bloodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
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