Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Plasmepsin II' and Ligand = 'BDBM50461473'   

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)	BDBM50461473 (CHEMBL4225824) Show SMILES CCCCCc1ccc(cc1)-c1cc(CCC(O)=O)c2c(c1)nc(N)n(CC1CCCO1)c2=O Show InChI InChI=1S/C27H33N3O4/c1-2-3-4-6-18-8-10-19(11-9-18)21-15-20(12-13-24(31)32)25-23(16-21)29-27(28)30(26(25)33)17-22-7-5-14-34-22/h8-11,15-16,22H,2-7,12-14,17H2,1H3,(H2,28,29)(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	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)	BDBM50461473 (CHEMBL4225824) Show SMILES CCCCCc1ccc(cc1)-c1cc(CCC(O)=O)c2c(c1)nc(N)n(CC1CCCO1)c2=O Show InChI InChI=1S/C27H33N3O4/c1-2-3-4-6-18-8-10-19(11-9-18)21-15-20(12-13-24(31)32)25-23(16-21)29-27(28)30(26(25)33)17-22-7-5-14-34-22/h8-11,15-16,22H,2-7,12-14,17H2,1H3,(H2,28,29)(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
University of Zambia Curated by ChEMBL					Assay Description Inhibition of recombinant Plasmodium falciparum Plasmepsin 2				J Med Chem 63: 4445-4467 (2020) Article DOI: 10.1021/acs.jmedchem.9b01622 BindingDB Entry DOI: 10.7270/Q2RR22K7
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50461473 (CHEMBL4225824) Show SMILES CCCCCc1ccc(cc1)-c1cc(CCC(O)=O)c2c(c1)nc(N)n(CC1CCCO1)c2=O Show InChI InChI=1S/C27H33N3O4/c1-2-3-4-6-18-8-10-19(11-9-18)21-15-20(12-13-24(31)32)25-23(16-21)29-27(28)30(26(25)33)17-22-7-5-14-34-22/h8-11,15-16,22H,2-7,12-14,17H2,1H3,(H2,28,29)(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	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