null

SMILES: CC(C)OC1=C(c2ccc(cc2)S(C)(=O)=O)C(C)(C)OC1=O

InChI Key: InChIKey=ONJHHYBWKLDIFI-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50080081   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50080081 (3-Isopropoxy-4-(4-methanesulfonyl-phenyl)-5,5-dime...) Show SMILES CC(C)OC1=C(c2ccc(cc2)S(C)(=O)=O)C(C)(C)OC1=O |c:4| Show InChI InChI=1S/C16H20O5S/c1-10(2)20-14-13(16(3,4)21-15(14)17)11-6-8-12(9-7-11)22(5,18)19/h6-10H,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibitory activity against Prostaglandin G/H synthase 1 in human whole blood				Bioorg Med Chem Lett 9: 2207-12 (1999) BindingDB Entry DOI: 10.7270/Q2416W8T
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50080081 (3-Isopropoxy-4-(4-methanesulfonyl-phenyl)-5,5-dime...) Show SMILES CC(C)OC1=C(c2ccc(cc2)S(C)(=O)=O)C(C)(C)OC1=O |c:4| Show InChI InChI=1S/C16H20O5S/c1-10(2)20-14-13(16(3,4)21-15(14)17)11-6-8-12(9-7-11)22(5,18)19/h6-10H,1-5H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description In vitro inhibitory potency of the compound was determined against Prostaglandin G/H synthase 2 in human whole blood assay				Bioorg Med Chem Lett 12: 3317-20 (2002) BindingDB Entry DOI: 10.7270/Q2FQ9VZ6
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50080081 (3-Isopropoxy-4-(4-methanesulfonyl-phenyl)-5,5-dime...) Show SMILES CC(C)OC1=C(c2ccc(cc2)S(C)(=O)=O)C(C)(C)OC1=O |c:4| Show InChI InChI=1S/C16H20O5S/c1-10(2)20-14-13(16(3,4)21-15(14)17)11-6-8-12(9-7-11)22(5,18)19/h6-10H,1-5H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of Prostaglandin G/H synthase 2 in human whole blood				Bioorg Med Chem Lett 9: 2207-12 (1999) BindingDB Entry DOI: 10.7270/Q2416W8T
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50080081 (3-Isopropoxy-4-(4-methanesulfonyl-phenyl)-5,5-dime...) Show SMILES CC(C)OC1=C(c2ccc(cc2)S(C)(=O)=O)C(C)(C)OC1=O |c:4| Show InChI InChI=1S/C16H20O5S/c1-10(2)20-14-13(16(3,4)21-15(14)17)11-6-8-12(9-7-11)22(5,18)19/h6-10H,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description In vitro inhibitory potency of the compound was determined against Prostaglandin G/H synthase 1 in human whole blood assay				Bioorg Med Chem Lett 12: 3317-20 (2002) BindingDB Entry DOI: 10.7270/Q2FQ9VZ6
					More data for this Ligand-Target Pair