BDBM50125626 5-Hydroxy-4-(4-methanesulfonyl-phenyl)-5-methyl-3-phenyl-5H-furan-2-one::CHEMBL18316

SMILES: CC1(O)OC(=O)C(=C1c1ccc(cc1)S(C)(=O)=O)c1ccccc1

InChI Key: InChIKey=UESINUJQTYESFV-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50125626   

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))	BDBM50125626 (5-Hydroxy-4-(4-methanesulfonyl-phenyl)-5-methyl-3-...) Show SMILES CC1(O)OC(=O)C(=C1c1ccc(cc1)S(C)(=O)=O)c1ccccc1 |c:6| Show InChI InChI=1S/C18H16O5S/c1-18(20)16(13-8-10-14(11-9-13)24(2,21)22)15(17(19)23-18)12-6-4-3-5-7-12/h3-11,20H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibitory concentration of the compound was measured against Prostaglandin G/H synthase 1 in human whole blood				Bioorg Med Chem Lett 13: 1195-8 (2003) BindingDB Entry DOI: 10.7270/Q2GT5MJR
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50125626 (5-Hydroxy-4-(4-methanesulfonyl-phenyl)-5-methyl-3-...) Show SMILES CC1(O)OC(=O)C(=C1c1ccc(cc1)S(C)(=O)=O)c1ccccc1 |c:6| Show InChI InChI=1S/C18H16O5S/c1-18(20)16(13-8-10-14(11-9-13)24(2,21)22)15(17(19)23-18)12-6-4-3-5-7-12/h3-11,20H,1-2H3	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	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibitory concentration of the compound was measured against Prostaglandin G/H synthase 2 in human whole blood				Bioorg Med Chem Lett 13: 1195-8 (2003) BindingDB Entry DOI: 10.7270/Q2GT5MJR
					More data for this Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2 (Homo sapiens (Human))	BDBM50125626 (5-Hydroxy-4-(4-methanesulfonyl-phenyl)-5-methyl-3-...) Show SMILES CC1(O)OC(=O)C(=C1c1ccc(cc1)S(C)(=O)=O)c1ccccc1 |c:6| Show InChI InChI=1S/C18H16O5S/c1-18(20)16(13-8-10-14(11-9-13)24(2,21)22)15(17(19)23-18)12-6-4-3-5-7-12/h3-11,20H,1-2H3	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	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard Curated by ChEMBL					Assay Description Inhibition of COX2 in human whole blood assessed as reduction in PGE2 formation preincubated for 15 mins followed by addition of LPS and measured aft...				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))	BDBM50125626 (5-Hydroxy-4-(4-methanesulfonyl-phenyl)-5-methyl-3-...) Show SMILES CC1(O)OC(=O)C(=C1c1ccc(cc1)S(C)(=O)=O)c1ccccc1 |c:6| Show InChI InChI=1S/C18H16O5S/c1-18(20)16(13-8-10-14(11-9-13)24(2,21)22)15(17(19)23-18)12-6-4-3-5-7-12/h3-11,20H,1-2H3	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	160	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibitory of human Prostaglandin G/H synthase 2 expressed in CHO cells.				Bioorg Med Chem Lett 13: 1195-8 (2003) BindingDB Entry DOI: 10.7270/Q2GT5MJR
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50125626 (5-Hydroxy-4-(4-methanesulfonyl-phenyl)-5-methyl-3-...) Show SMILES CC1(O)OC(=O)C(=C1c1ccc(cc1)S(C)(=O)=O)c1ccccc1 |c:6| Show InChI InChI=1S/C18H16O5S/c1-18(20)16(13-8-10-14(11-9-13)24(2,21)22)15(17(19)23-18)12-6-4-3-5-7-12/h3-11,20H,1-2H3	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 of human Prostaglandin G/H synthase 2 expressed in CHO cells.				Bioorg Med Chem Lett 13: 1195-8 (2003) BindingDB Entry DOI: 10.7270/Q2GT5MJR
					More data for this Ligand-Target Pair