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

Data: 26 KI  170 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 196 hits for monomerid = 22369   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Prostaglandin G/H synthase 1 (Sheep)	BDBM22369 (CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	8.0	37
TBA									Citation and Details
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Prostaglandin G/H synthase 2 (Human)	BDBM22369 (CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	500	n/a	n/a	n/a	n/a	8.0	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Human)	BDBM22369 (CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Human)	BDBM22369 (CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Human)	BDBM22369 (CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Human)	BDBM22369 (CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
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Bile salt export pump (Human)	BDBM22369 (CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.54E+4	n/a	n/a	n/a	n/a	n/a	n/a
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ATP-binding cassette sub-family C member 4 (Human)	BDBM22369 (CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
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ATP-binding cassette sub-family C member 3 (Human)	BDBM22369 (CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 2 (Human)	BDBM22369 (CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile salt export pump (Human)	BDBM22369 (CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome c oxidase subunit 2 (Human)	BDBM22369 (CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Sheep)	BDBM22369 (CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Mouse)	BDBM22369 (CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>3.18E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mouse)	BDBM22369 (CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
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Dipeptidyl peptidase 3 (wild yak)	BDBM22369 (CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Human)	BDBM22369 (CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome c oxidase subunit 2 (Human)	BDBM22369 (CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome c oxidase subunit 1 (Human)	BDBM22369 (CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Human)	BDBM22369 (CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Human)	BDBM22369 (CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Human)	BDBM22369 (CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Human)	BDBM22369 (CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Human)	BDBM22369 (CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Human)	BDBM22369 (CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Human)	BDBM22369 (CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Human)	BDBM22369 (CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Human)	BDBM22369 (CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Human)	BDBM22369 (CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Human)	BDBM22369 (CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Human)	BDBM22369 (CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.88E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Human)	BDBM22369 (CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Human)	BDBM22369 (CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Human)	BDBM22369 (CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Human)	BDBM22369 (CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Human)	BDBM22369 (CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	196	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Rat)	BDBM22369 (CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Rat)	BDBM22369 (CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Human)	BDBM22369 (CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Human)	BDBM22369 (CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Human)	BDBM22369 (CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Human)	BDBM22369 (CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Human)	BDBM22369 (CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
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Polyunsaturated fatty acid 5-lipoxygenase (Human)	BDBM22369 (CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Human)	BDBM22369 (CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Human)	BDBM22369 (CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.87E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Human)	BDBM22369 (CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Human)	BDBM22369 (CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Human)	BDBM22369 (CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Human)	BDBM22369 (CHEMBL122 | MK 0966 | 4-(4-methanesulfonylphenyl)-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	428	n/a	n/a	n/a	n/a	n/a	n/a
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