BDBM50136105 5-Benzyl-6-(4-methanesulfonyl-phenyl)-benzo[1,3]dioxole::CHEMBL358246

SMILES: CS(=O)(=O)c1ccc(cc1)-c1cc2OCOc2cc1Cc1ccccc1

InChI Key: InChIKey=VRAXEUOPAYYORT-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 = 50136105   

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))	BDBM50136105 (5-Benzyl-6-(4-methanesulfonyl-phenyl)-benzo[1,3]di...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc2OCOc2cc1Cc1ccccc1 Show InChI InChI=1S/C21H18O4S/c1-26(22,23)18-9-7-16(8-10-18)19-13-21-20(24-14-25-21)12-17(19)11-15-5-3-2-4-6-15/h2-10,12-13H,11,14H2,1H3	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	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc Curated by ChEMBL					Assay Description Compound was tested for the inhibition of human Prostaglandin G/H synthase 2 (COX-2) in human whole blood				J Med Chem 46: 5484-504 (2003) Article DOI: 10.1021/jm030268b BindingDB Entry DOI: 10.7270/Q2FX78WK
					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50136105 (5-Benzyl-6-(4-methanesulfonyl-phenyl)-benzo[1,3]di...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc2OCOc2cc1Cc1ccccc1 Show InChI InChI=1S/C21H18O4S/c1-26(22,23)18-9-7-16(8-10-18)19-13-21-20(24-14-25-21)12-17(19)11-15-5-3-2-4-6-15/h2-10,12-13H,11,14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc Curated by ChEMBL					Assay Description Compound was tested for in vitro Prostaglandin G/H synthase 1 (COX-1) idetermined in human whole blood by human whole blood assay				J Med Chem 46: 5484-504 (2003) Article DOI: 10.1021/jm030268b BindingDB Entry DOI: 10.7270/Q2FX78WK
					More data for this Ligand-Target Pair