Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phospholipase A2, major isoenzyme' and Ligand = 'BDBM50004501'   

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))	BDBM50004501 ((E)-(R)-O-(2-Dec-3-enamidoisohexyl) phosphocholine...) Show SMILES CCCCC\C=C/CCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)CC(C)C Show InChI InChI=1S/C21H43N2O5P/c1-7-8-9-10-11-12-13-14-21(24)22-20(17-19(2)3)18-28-29(25,26)27-16-15-23(4,5)6/h11-12,19-20H,7-10,13-18H2,1-6H3,(H-,22,24,25,26)/b12-11-/t20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fisons plc Curated by ChEMBL					Assay Description In vitro inhibition of porcine pancreatic phospholipase A2 evaluated by monomeric substrate assay				J Med Chem 35: 2939-51 (1992) BindingDB Entry DOI: 10.7270/Q2RF5T0R
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