BDBM50078688 3-(3,4-Difluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-5H-furan-2-one::3-(3,4-difluorophenyl)-4-(4-(methylsulfonyl)phenyl)furan-2(5H)-one::CHEMBL18264

SMILES: CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccc(F)c(F)c1

InChI Key: InChIKey=INRQTVDUZFESAO-UHFFFAOYSA-N

Data: 12 IC50

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 12 hits for monomerid = 50078688   

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
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50078688 (3-(3,4-Difluoro-phenyl)-4-(4-methanesulfonyl-pheny...) Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccc(F)c(F)c1 |t:11| Show InChI InChI=1S/C17H12F2O4S/c1-24(21,22)12-5-2-10(3-6-12)13-9-23-17(20)16(13)11-4-7-14(18)15(19)8-11/h2-8H,9H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibitory potency against Prostaglandin G/H synthase 1 in human whole blood assay				Bioorg Med Chem Lett 14: 1201-3 (2004) Article DOI: 10.1016/j.bmcl.2003.12.047 BindingDB Entry DOI: 10.7270/Q27P8XTN
					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50078688 (3-(3,4-Difluoro-phenyl)-4-(4-methanesulfonyl-pheny...) Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccc(F)c(F)c1 |t:11| Show InChI InChI=1S/C17H12F2O4S/c1-24(21,22)12-5-2-10(3-6-12)13-9-23-17(20)16(13)11-4-7-14(18)15(19)8-11/h2-8H,9H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against prostaglandin G/H synthase 1 in human whole blood				Bioorg Med Chem Lett 15: 3197-200 (2005) Article DOI: 10.1016/j.bmcl.2005.05.002 BindingDB Entry DOI: 10.7270/Q2ZW1KFH
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50078688 (3-(3,4-Difluoro-phenyl)-4-(4-methanesulfonyl-pheny...) Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccc(F)c(F)c1 |t:11| Show InChI InChI=1S/C17H12F2O4S/c1-24(21,22)12-5-2-10(3-6-12)13-9-23-17(20)16(13)11-4-7-14(18)15(19)8-11/h2-8H,9H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibitory potency against cyclooxygenase-2 in human whole blood assay				Bioorg Med Chem Lett 14: 1201-3 (2004) Article DOI: 10.1016/j.bmcl.2003.12.047 BindingDB Entry DOI: 10.7270/Q27P8XTN
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50078688 (3-(3,4-Difluoro-phenyl)-4-(4-methanesulfonyl-pheny...) Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccc(F)c(F)c1 |t:11| Show InChI InChI=1S/C17H12F2O4S/c1-24(21,22)12-5-2-10(3-6-12)13-9-23-17(20)16(13)11-4-7-14(18)15(19)8-11/h2-8H,9H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against prostaglandin G/H synthase 2 in human whole blood				Bioorg Med Chem Lett 15: 3197-200 (2005) Article DOI: 10.1016/j.bmcl.2005.05.002 BindingDB Entry DOI: 10.7270/Q2ZW1KFH
					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50078688 (3-(3,4-Difluoro-phenyl)-4-(4-methanesulfonyl-pheny...) Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccc(F)c(F)c1 |t:11| Show InChI InChI=1S/C17H12F2O4S/c1-24(21,22)12-5-2-10(3-6-12)13-9-23-17(20)16(13)11-4-7-14(18)15(19)8-11/h2-8H,9H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>5.00E+4	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 activity against human whole cells Prostaglandin G/H synthase 1				Bioorg Med Chem Lett 9: 1773-8 (1999) BindingDB Entry DOI: 10.7270/Q2QJ7HT8
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Cavia porcellus)	BDBM50078688 (3-(3,4-Difluoro-phenyl)-4-(4-methanesulfonyl-pheny...) Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccc(F)c(F)c1 |t:11| Show InChI InChI=1S/C17H12F2O4S/c1-24(21,22)12-5-2-10(3-6-12)13-9-23-17(20)16(13)11-4-7-14(18)15(19)8-11/h2-8H,9H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard Curated by ChEMBL					Assay Description Inhibition of COX2 in guinea pig blood assessed as reduction of LPS-induced PGE2 accumulation at 10 to 10000 nM preincubated with LPS followed by com...				Eur J Med Chem 171: 66-92 (2019) Article DOI: 10.1016/j.ejmech.2019.03.021
					More data for this Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2 (Homo sapiens (Human))	BDBM50078688 (3-(3,4-Difluoro-phenyl)-4-(4-methanesulfonyl-pheny...) Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccc(F)c(F)c1 |t:11| Show InChI InChI=1S/C17H12F2O4S/c1-24(21,22)12-5-2-10(3-6-12)13-9-23-17(20)16(13)11-4-7-14(18)15(19)8-11/h2-8H,9H2,1H3	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	900	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 activity against human whole blood Prostaglandin G/H synthase 1				Bioorg Med Chem Lett 9: 1773-8 (1999) BindingDB Entry DOI: 10.7270/Q2QJ7HT8
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50078688 (3-(3,4-Difluoro-phenyl)-4-(4-methanesulfonyl-pheny...) Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccc(F)c(F)c1 |t:11| Show InChI InChI=1S/C17H12F2O4S/c1-24(21,22)12-5-2-10(3-6-12)13-9-23-17(20)16(13)11-4-7-14(18)15(19)8-11/h2-8H,9H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.30E+4	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 activity against human whole blood Prostaglandin G/H synthase 1				Bioorg Med Chem Lett 9: 1773-8 (1999) BindingDB Entry DOI: 10.7270/Q2QJ7HT8
					More data for this Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2 (Homo sapiens (Human))	BDBM50078688 (3-(3,4-Difluoro-phenyl)-4-(4-methanesulfonyl-pheny...) Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccc(F)c(F)c1 |t:11| Show InChI InChI=1S/C17H12F2O4S/c1-24(21,22)12-5-2-10(3-6-12)13-9-23-17(20)16(13)11-4-7-14(18)15(19)8-11/h2-8H,9H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibitory potency against Prostaglandin G/H synthase 1 in human whole blood assay				Bioorg Med Chem Lett 14: 1201-3 (2004) Article DOI: 10.1016/j.bmcl.2003.12.047 BindingDB Entry DOI: 10.7270/Q27P8XTN
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50078688 (3-(3,4-Difluoro-phenyl)-4-(4-methanesulfonyl-pheny...) Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccc(F)c(F)c1 |t:11| Show InChI InChI=1S/C17H12F2O4S/c1-24(21,22)12-5-2-10(3-6-12)13-9-23-17(20)16(13)11-4-7-14(18)15(19)8-11/h2-8H,9H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article 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 recombinant human Prostaglandin G/H synthase 2				Bioorg Med Chem Lett 14: 1201-3 (2004) Article DOI: 10.1016/j.bmcl.2003.12.047 BindingDB Entry DOI: 10.7270/Q27P8XTN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Oryctolagus cuniculus)	BDBM50078688 (3-(3,4-Difluoro-phenyl)-4-(4-methanesulfonyl-pheny...) Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccc(F)c(F)c1 |t:11| Show InChI InChI=1S/C17H12F2O4S/c1-24(21,22)12-5-2-10(3-6-12)13-9-23-17(20)16(13)11-4-7-14(18)15(19)8-11/h2-8H,9H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard Curated by ChEMBL					Assay Description Inhibition of COX2 in rabbit whole blood assessed as reduction of LPS-induced PGE2 accumulation at 10 to 10000 nM preincubated with LPS followed by c...				Eur J Med Chem 171: 66-92 (2019) Article DOI: 10.1016/j.ejmech.2019.03.021
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50078688 (3-(3,4-Difluoro-phenyl)-4-(4-methanesulfonyl-pheny...) Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccc(F)c(F)c1 |t:11| Show InChI InChI=1S/C17H12F2O4S/c1-24(21,22)12-5-2-10(3-6-12)13-9-23-17(20)16(13)11-4-7-14(18)15(19)8-11/h2-8H,9H2,1H3	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	30	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 activity against human whole cells (CHO) Prostaglandin G/H synthase 2				Bioorg Med Chem Lett 9: 1773-8 (1999) BindingDB Entry DOI: 10.7270/Q2QJ7HT8
					More data for this Ligand-Target Pair