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)C2=C(C(=O)OC2)c3ccccc3
InChI Key InChIKey=RZJQGNCSTQAWON-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 196 hits for monomerid = 22369
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
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
Affinity DataIC50: 1.45E+4nMAssay Description:The inhibitory effects of candidate compounds on COX-1 and COX-2 were determined using COX inhibitor screening test kits, testing each compound's...More data for this Ligand-Target Pair
Affinity DataIC50: 25nMAssay Description:The inhibitory effects of candidate compounds on COX-1 and COX-2 were determined using COX inhibitor screening test kits, testing each compound's...More data for this Ligand-Target Pair
Affinity DataIC50: 1.45E+4nMAssay Description:The inhibitory effects of candidate compounds on COX-1 and COX-2 were determined using COX inhibitor screening test kits, testing each compound's...More data for this Ligand-Target Pair
Affinity DataIC50: 25nMAssay Description:The inhibitory effects of candidate compounds on COX-1 and COX-2 were determined using COX inhibitor screening test kits, testing each compound's...More data for this Ligand-Target Pair
Affinity DataIC50: 9.54E+4nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of human COX2 assessed as reduction in PGF2alpha production by ELISAMore data for this Ligand-Target Pair
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of ovine COX1 assessed as reduction in PGF2alpha production by ELISAMore data for this Ligand-Target Pair
Affinity DataIC50: 3.18E+5nMAssay Description:In vitro inhibitory activity against prostaglandin G/H synthase 1 using mouse peritoneal macrophage methodMore data for this Ligand-Target Pair
Affinity DataIC50: 190nMAssay Description:In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage methodMore data for this Ligand-Target Pair
Affinity DataIC50: 4.30E+5nMAssay Description:Inhibition of Capra hircus (goat) brain DPP-3 using Arg-Arg-4mbetaNA as substrate assessed as liberation of 4mbetaNA from substrateMore data for this Ligand-Target Pair
Affinity DataIC50: 500nMAssay Description:Inhibition of COX-2 in human whole bloodMore data for this Ligand-Target Pair
Affinity DataIC50: 20nMAssay Description:Inhibition of COX2 (unknown origin)More data for this Ligand-Target Pair
TargetCytochrome c oxidase subunit 1(Human)
National Institute of Pharmaceutical Education and Research (NIPER)
Curated by ChEMBL
National Institute of Pharmaceutical Education and Research (NIPER)
Curated by ChEMBL
Affinity DataIC50: 1.50E+4nMAssay Description:Inhibition of COX1 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 2.60E+4nMAssay Description:Inhibition of human COX2 expressed in human osteosarcoma cells assessed as reduction in PGE2 releaseMore data for this Ligand-Target Pair
Affinity DataIC50: 1.80E+4nMAssay Description:Inhibition of human COX2 expressed in CHO cells cells assessed as reduction in PGE2 releaseMore data for this Ligand-Target Pair
Affinity DataIC50: 1.90E+4nMAssay Description:Inhibitory activity against Prostaglandin G/H synthase 1 in human whole bloodMore data for this Ligand-Target Pair
Affinity DataIC50: 500nMAssay Description:Inhibition of Prostaglandin G/H synthase 2 in human whole bloodMore data for this Ligand-Target Pair
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
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
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
Affinity DataIC50: 2.00E+3nMAssay Description:In vitro inhibitory potency against U-937 microsomal COX-1More data for this Ligand-Target Pair
Affinity DataIC50: 2.00E+3nMAssay Description:Inhibition of COX-1 in U-937 (human lymphoma) cell microsomes.More data for this Ligand-Target Pair
Affinity DataIC50: 500nMAssay Description:Inhibitory potency against PGE-2 production in the human whole blood (HWB COX-2) assayMore data for this Ligand-Target Pair
Affinity DataIC50: 20nMAssay Description:Inhibition of PGE-2 production in CHO cells expressing human COX-2.More data for this Ligand-Target Pair
Affinity DataIC50: 1.88E+4nMAssay Description:The compound was evaluated for its inhibitory activity against COX- 1.More data for this Ligand-Target Pair
Affinity DataIC50: 530nMAssay Description:The compound was evaluated for its inhibitory activity against COX- 2.More data for this Ligand-Target Pair
Affinity DataIC50: 2.60E+4nMAssay Description:Inhibitory concentration against Prostaglandin G/H synthase 1More data for this Ligand-Target Pair
Affinity DataIC50: 340nMAssay Description:Inhibitory concentration against Prostaglandin G/H synthase 2More data for this Ligand-Target Pair
Affinity DataIC50: 1.60E+5nMAssay Description:Inhibitory concentration against Prostaglandin G/H synthase 1More data for this Ligand-Target Pair
Affinity DataIC50: 196nMAssay Description:Inhibitory concentration against Prostaglandin G/H synthase 2More data for this Ligand-Target Pair
Affinity DataIC50: 1.14E+4nMAssay Description:In vitro inhibitory concentration against rat prostaglandin G/H synthase 1More data for this Ligand-Target Pair
Affinity DataIC50: 760nMAssay Description:In vitro inhibitory concentration against rat Prostaglandin G/H synthase 2More data for this Ligand-Target Pair
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
Affinity DataIC50: 1.83E+4nMAssay Description:Tested in vitro for inhibition of cyclooxygenase-1 in human blood assayMore data for this Ligand-Target Pair
Affinity DataIC50: 830nMAssay Description:Tested in vitro for inhibition of cyclooxygenase-2 in human blood assayMore data for this Ligand-Target Pair
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
Affinity DataIC50: 1nMAssay Description:The compound was evaluated for prostaglandin E2 inhibition using recombinant Prostaglandin G/H synthase 2More data for this Ligand-Target Pair
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of 5-lipoxygenase activity of compound evaluated as determined by the inhibition of calcium ionophore-induced leukotriene B4 production in...More data for this Ligand-Target Pair
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
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
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
Affinity DataIC50: 210nMAssay Description:Inhibition of PGE-2 generation in LPS-stimulated human monocytes (Prostaglandin G/H synthase 2 cell assay)More data for this Ligand-Target Pair
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
Affinity DataIC50: 428nMAssay Description:In vitro inhibitory concentration of compound required to inhibit Prostaglandin G/H synthase 2 enzyme was determinedMore data for this Ligand-Target Pair

3D Structure (crystal)