Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Phospholipase A2, major isoenzyme' and Ligand = 'BDBM50031087'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Phospholipase A2, major isoenzyme (Sus scrofa (pig))	BDBM50031087 (3-(4-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl)-5...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1[nH]c(SC#N)cc1-c1ccc(F)cc1 Show InChI InChI=1S/C18H13FN2O2S2/c1-25(22,23)15-8-4-13(5-9-15)18-16(10-17(21-18)24-11-20)12-2-6-14(19)7-3-12/h2-10,21H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibitory activity rat polymorphonuclear leukocyte phospholipase-A2 (PMN-PLA2)				J Med Chem 37: 988-98 (1994) BindingDB Entry DOI: 10.7270/Q2BP01WP
					More data for this Ligand-Target Pair
Phospholipase A2, major isoenzyme (Sus scrofa (pig))	BDBM50031087 (3-(4-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl)-5...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1[nH]c(SC#N)cc1-c1ccc(F)cc1 Show InChI InChI=1S/C18H13FN2O2S2/c1-25(22,23)15-8-4-13(5-9-15)18-16(10-17(21-18)24-11-20)12-2-6-14(19)7-3-12/h2-10,21H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibitory activity porcine pancreatic phospholipase-A2				J Med Chem 37: 988-98 (1994) BindingDB Entry DOI: 10.7270/Q2BP01WP
					More data for this Ligand-Target Pair