BDBM50049650 5-(4-Fluoro-phenyl)-6-(4-methanesulfonyl-phenyl)-benzo[1,3]dioxole::CHEMBL298729

SMILES: CS(=O)(=O)c1ccc(cc1)-c1cc2OCOc2cc1-c1ccc(F)cc1

InChI Key: InChIKey=SIGUPSKJHJMMAX-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50049650   

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 (Homo sapiens (Human))	BDBM50049650 (5-(4-Fluoro-phenyl)-6-(4-methanesulfonyl-phenyl)-b...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc2OCOc2cc1-c1ccc(F)cc1 Show InChI InChI=1S/C20H15FO4S/c1-26(22,23)16-8-4-14(5-9-16)18-11-20-19(24-12-25-20)10-17(18)13-2-6-15(21)7-3-13/h2-11H,12H2,1H3	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	83	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research and Development Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2				J Med Chem 39: 1846-56 (1996) Article DOI: 10.1021/jm950878e BindingDB Entry DOI: 10.7270/Q2Z89BGW
					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50049650 (5-(4-Fluoro-phenyl)-6-(4-methanesulfonyl-phenyl)-b...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc2OCOc2cc1-c1ccc(F)cc1 Show InChI InChI=1S/C20H15FO4S/c1-26(22,23)16-8-4-14(5-9-16)18-11-20-19(24-12-25-20)10-17(18)13-2-6-15(21)7-3-13/h2-11H,12H2,1H3	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
Searle Research and Development Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.				J Med Chem 39: 1846-56 (1996) Article DOI: 10.1021/jm950878e BindingDB Entry DOI: 10.7270/Q2Z89BGW
					More data for this Ligand-Target Pair