Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasmepsin II' and Ligand = 'BDBM50146766'   

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
Plasmepsin II (Plasmodium falciparum)	BDBM50146766 (2-[2-(Naphthalen-2-yloxy)-acetylamino]-pentanedioi...) Show SMILES CCCCNC(=O)CC(O)C(CC(C)C)NC(=O)C(CCC(N)=O)NC(=O)COc1ccc2ccccc2c1 Show InChI InChI=1S/C29H42N4O6/c1-4-5-14-31-27(36)17-25(34)24(15-19(2)3)33-29(38)23(12-13-26(30)35)32-28(37)18-39-22-11-10-20-8-6-7-9-21(20)16-22/h6-11,16,19,23-25,34H,4-5,12-15,17-18H2,1-3H3,(H2,30,35)(H,31,36)(H,32,37)(H,33,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Pompeu Fabra Curated by ChEMBL					Assay Description Binding affinity towards plasmepsin-2 in Plasmodium falciparum.				J Med Chem 47: 2805-15 (2004) Article DOI: 10.1021/jm0311240 BindingDB Entry DOI: 10.7270/Q22J6CMN
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