BDBM50127652 1-(4-Methanesulfonyl-phenyl)-8-methyl-4,5-dihydro-3aH-naphtho[2,1-b]furan-2-one::CHEMBL289447

SMILES: Cc1ccc2CCC3OC(=O)C(=C3c2c1)c1ccc(cc1)S(C)(=O)=O

InChI Key: InChIKey=KCJMUDJRPFAATN-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 = 50127652   

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))	BDBM50127652 (1-(4-Methanesulfonyl-phenyl)-8-methyl-4,5-dihydro-...) Show SMILES Cc1ccc2CCC3OC(=O)C(=C3c2c1)c1ccc(cc1)S(C)(=O)=O |c:11| Show InChI InChI=1S/C20H18O4S/c1-12-3-4-13-7-10-17-19(16(13)11-12)18(20(21)24-17)14-5-8-15(9-6-14)25(2,22)23/h3-6,8-9,11,17H,7,10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+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))	BDBM50127652 (1-(4-Methanesulfonyl-phenyl)-8-methyl-4,5-dihydro-...) Show SMILES Cc1ccc2CCC3OC(=O)C(=C3c2c1)c1ccc(cc1)S(C)(=O)=O |c:11| Show InChI InChI=1S/C20H18O4S/c1-12-3-4-13-7-10-17-19(16(13)11-12)18(20(21)24-17)14-5-8-15(9-6-14)25(2,22)23/h3-6,8-9,11,17H,7,10H2,1-2H3	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))	BDBM50127652 (1-(4-Methanesulfonyl-phenyl)-8-methyl-4,5-dihydro-...) Show SMILES Cc1ccc2CCC3OC(=O)C(=C3c2c1)c1ccc(cc1)S(C)(=O)=O |c:11| Show InChI InChI=1S/C20H18O4S/c1-12-3-4-13-7-10-17-19(16(13)11-12)18(20(21)24-17)14-5-8-15(9-6-14)25(2,22)23/h3-6,8-9,11,17H,7,10H2,1-2H3	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	665	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