BDBM50127653 1-(4-Methanesulfonyl-phenyl)-4,5-dihydro-3aH-naphtho[2,1-b]furan-2-one::CHEMBL44141

SMILES: CS(=O)(=O)c1ccc(cc1)C1=C2C(CCc3ccccc23)OC1=O

InChI Key: InChIKey=ZQCVEBOKAYTOSA-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50127653   

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))	BDBM50127653 (1-(4-Methanesulfonyl-phenyl)-4,5-dihydro-3aH-napht...) Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C2C(CCc3ccccc23)OC1=O |t:11| Show InChI InChI=1S/C19H16O4S/c1-24(21,22)14-9-6-13(7-10-14)17-18-15-5-3-2-4-12(15)8-11-16(18)23-19(17)20/h2-7,9-10,16H,8,11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dr. Reddy's Laboratories Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against recombinant human Prostaglandin G/H synthase 1				Bioorg Med Chem Lett 13: 1639-43 (2003) BindingDB Entry DOI: 10.7270/Q2P26XHP
					More data for this Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2 (Homo sapiens (Human))	BDBM50127653 (1-(4-Methanesulfonyl-phenyl)-4,5-dihydro-3aH-napht...) Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C2C(CCc3ccccc23)OC1=O |t:11| Show InChI InChI=1S/C19H16O4S/c1-24(21,22)14-9-6-13(7-10-14)17-18-15-5-3-2-4-12(15)8-11-16(18)23-19(17)20/h2-7,9-10,16H,8,11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard Curated by ChEMBL					Assay Description Inhibition of recombinant human COX2 expressed in baculovirus infected Sf9 cells				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))	BDBM50127653 (1-(4-Methanesulfonyl-phenyl)-4,5-dihydro-3aH-napht...) Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C2C(CCc3ccccc23)OC1=O |t:11| Show InChI InChI=1S/C19H16O4S/c1-24(21,22)14-9-6-13(7-10-14)17-18-15-5-3-2-4-12(15)8-11-16(18)23-19(17)20/h2-7,9-10,16H,8,11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	562	n/a	n/a	n/a	n/a	n/a	n/a
Dr. Reddy's Laboratories Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against recombinant human Prostaglandin G/H synthase 2				Bioorg Med Chem Lett 13: 1639-43 (2003) BindingDB Entry DOI: 10.7270/Q2P26XHP
					More data for this Ligand-Target Pair