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SMILES: CCCCN1C(SCCC1=O)c1ccc(cc1)S(C)(=O)=O

InChI Key: InChIKey=ATHPXLRNNFYYKT-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50346141   

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
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50346141 (3-butyl-2-(4-(methylsulfonyl)phenyl)-1,3-thiazinan...) Show SMILES CCCCN1C(SCCC1=O)c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C15H21NO3S2/c1-3-4-10-16-14(17)9-11-20-15(16)12-5-7-13(8-6-12)21(2,18)19/h5-8,15H,3-4,9-11H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Shahid Beheshti University (M.C) Curated by ChEMBL					Assay Description Inhibition of ovine COX2 by chemiluminescent assay				Bioorg Med Chem Lett 19: 3162-5 (2009) Article DOI: 10.1016/j.bmcl.2009.04.125 BindingDB Entry DOI: 10.7270/Q2XG9RGM
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50346141 (3-butyl-2-(4-(methylsulfonyl)phenyl)-1,3-thiazinan...) Show SMILES CCCCN1C(SCCC1=O)c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C15H21NO3S2/c1-3-4-10-16-14(17)9-11-20-15(16)12-5-7-13(8-6-12)21(2,18)19/h5-8,15H,3-4,9-11H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.48E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shahid Beheshti University (M.C) Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by chemiluminescent assay				Bioorg Med Chem Lett 19: 3162-5 (2009) Article DOI: 10.1016/j.bmcl.2009.04.125 BindingDB Entry DOI: 10.7270/Q2XG9RGM
					More data for this Ligand-Target Pair