Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Plasmepsin II' and Ligand = 'BDBM50461485'   

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)	BDBM50461485 (CHEMBL4228072) Show SMILES Nc1nc2cc(cc(CCC(O)=O)c2c(=O)n1CC1CCCO1)-c1ccc(CCCc2ccccc2)cc1 Show InChI InChI=1S/C31H33N3O4/c32-31-33-27-19-25(23-13-11-22(12-14-23)9-4-8-21-6-2-1-3-7-21)18-24(15-16-28(35)36)29(27)30(37)34(31)20-26-10-5-17-38-26/h1-3,6-7,11-14,18-19,26H,4-5,8-10,15-17,20H2,(H2,32,33)(H,35,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	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-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50461485 (CHEMBL4228072) Show SMILES Nc1nc2cc(cc(CCC(O)=O)c2c(=O)n1CC1CCCO1)-c1ccc(CCCc2ccccc2)cc1 Show InChI InChI=1S/C31H33N3O4/c32-31-33-27-19-25(23-13-11-22(12-14-23)9-4-8-21-6-2-1-3-7-21)18-24(15-16-28(35)36)29(27)30(37)34(31)20-26-10-5-17-38-26/h1-3,6-7,11-14,18-19,26H,4-5,8-10,15-17,20H2,(H2,32,33)(H,35,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116614 BindingDB Entry DOI: 10.7270/Q21Z48DS
					More data for this Ligand-Target Pair