Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Plasmepsin II' and Ligand = 'BDBM50071549'   

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)	BDBM50071549 (CHEMBL309056 | N-[(S)-(1-Benzyl-3-butylcarbamoyl-2...) Show SMILES CCCCNC(=O)CC(O)C(Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc(OC)cc1OC)c1ccccc1 Show InChI InChI=1S/C32H39N3O6/c1-4-5-18-33-29(37)21-27(36)26(19-22-12-8-6-9-13-22)34-32(39)30(23-14-10-7-11-15-23)35-31(38)25-17-16-24(40-2)20-28(25)41-3/h6-17,20,26-27,30,36H,4-5,18-19,21H2,1-3H3,(H,33,37)(H,34,39)(H,35,38)/t26?,27?,30-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of plasmepsin-2 from Plasmodium falciparum.				Bioorg Med Chem Lett 8: 2315-20 (1999) BindingDB Entry DOI: 10.7270/Q2SN09G9
					More data for this Ligand-Target Pair				3D Structure (docked)
Plasmepsin II (Plasmodium falciparum)	BDBM50071549 (CHEMBL309056 | N-[(S)-(1-Benzyl-3-butylcarbamoyl-2...) Show SMILES CCCCNC(=O)CC(O)C(Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc(OC)cc1OC)c1ccccc1 Show InChI InChI=1S/C32H39N3O6/c1-4-5-18-33-29(37)21-27(36)26(19-22-12-8-6-9-13-22)34-32(39)30(23-14-10-7-11-15-23)35-31(38)25-17-16-24(40-2)20-28(25)41-3/h6-17,20,26-27,30,36H,4-5,18-19,21H2,1-3H3,(H,33,37)(H,34,39)(H,35,38)/t26?,27?,30-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of plasmepsin-2 from Plasmodium falciparum.				Bioorg Med Chem Lett 8: 2315-20 (1999) BindingDB Entry DOI: 10.7270/Q2SN09G9
					More data for this Ligand-Target Pair				3D Structure (docked)