BDBM50049635 5-(4,5-Difluoro-4'-methanesulfonyl-biphenyl-2-yl)-benzo[1,3]dioxole::CHEMBL416126

SMILES: CS(=O)(=O)c1ccc(cc1)-c1cc(F)c(F)cc1-c1ccc2OCOc2c1

InChI Key: InChIKey=GARKKXFHXDZJSG-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 = 50049635   

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))	BDBM50049635 (5-(4,5-Difluoro-4'-methanesulfonyl-biphenyl-2-yl)-...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(F)c(F)cc1-c1ccc2OCOc2c1 Show InChI InChI=1S/C20H14F2O4S/c1-27(23,24)14-5-2-12(3-6-14)15-9-17(21)18(22)10-16(15)13-4-7-19-20(8-13)26-11-25-19/h2-10H,11H2,1H3	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
Cyclooxygenase (Homo sapiens (Human))	BDBM50049635 (5-(4,5-Difluoro-4'-methanesulfonyl-biphenyl-2-yl)-...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(F)c(F)cc1-c1ccc2OCOc2c1 Show InChI InChI=1S/C20H14F2O4S/c1-27(23,24)14-5-2-12(3-6-14)15-9-17(21)18(22)10-16(15)13-4-7-19-20(8-13)26-11-25-19/h2-10H,11H2,1H3	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	12.0	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille 2 Curated by ChEMBL					Assay Description Inhibition of human Prostaglandin G/H synthase 2				J Med Chem 44: 3223-30 (2001) BindingDB Entry DOI: 10.7270/Q2736S4D
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50049635 (5-(4,5-Difluoro-4'-methanesulfonyl-biphenyl-2-yl)-...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(F)c(F)cc1-c1ccc2OCOc2c1 Show InChI InChI=1S/C20H14F2O4S/c1-27(23,24)14-5-2-12(3-6-14)15-9-17(21)18(22)10-16(15)13-4-7-19-20(8-13)26-11-25-19/h2-10H,11H2,1H3	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	12	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