Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasmepsin II' and Ligand = 'BDBM50513809'   

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)	BDBM50513809 (CHEMBL4558109) Show SMILES CN(CCc1ccccc1)C(=O)C1=C(CC2CN(CC1N2)C(C)=O)c1ccc(CCOc2ccc(cc2C)C(C)(C)C)cc1 |t:13| Show InChI InChI=1S/C38H47N3O3/c1-26-22-31(38(3,4)5)16-17-35(26)44-21-19-29-12-14-30(15-13-29)33-23-32-24-41(27(2)42)25-34(39-32)36(33)37(43)40(6)20-18-28-10-8-7-9-11-28/h7-17,22,32,34,39H,18-21,23-25H2,1-6H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 using Dabcyl-ERNIef:LSFP-EDANS as substrate incubated for 40 mins by FRET assay				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
					More data for this Ligand-Target Pair