Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phospholipase A2, major isoenzyme' and Ligand = 'BDBM50206912'   

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))	BDBM50206912 ((+/-)-3-O-[4-(4,5-dihydro-5-oxo-1,2,4-4H-oxadiazol...) Show SMILES CCCCCCCCCCCCCCOC(COCCCCc1ccccc1)COc1ccc(cc1)-c1nc(=O)o[nH]1 Show InChI InChI=1S/C35H52N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-17-27-40-33(28-39-26-18-16-21-30-19-14-13-15-20-30)29-41-32-24-22-31(23-25-32)34-36-35(38)42-37-34/h13-15,19-20,22-25,33H,2-12,16-18,21,26-29H2,1H3,(H,36,37,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université Paris7-Denis Diderot Curated by ChEMBL					Assay Description Inhibition of pig group IB PLA2 by fluorimetric assay				J Med Chem 50: 1618-26 (2007) Article DOI: 10.1021/jm060082n BindingDB Entry DOI: 10.7270/Q2TQ6174
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