Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasmepsin II' and Ligand = 'BDBM50513843'   

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)	BDBM50513843 (CHEMBL4456617) Show SMILES O=S(=O)(C1C2CCC(N2)C1NCc1ccc2ccccc2c1)c1ccc(CCCCC2CCCCC2)cc1 |TLB:10:9:8:6.5,THB:1:3:8:6.5| Show InChI InChI=1S/C33H42N2O2S/c36-38(37,29-18-15-25(16-19-29)11-5-4-10-24-8-2-1-3-9-24)33-31-21-20-30(35-31)32(33)34-23-26-14-17-27-12-6-7-13-28(27)22-26/h6-7,12-19,22,24,30-35H,1-5,8-11,20-21,23H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	380	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 fluorescently labeled peptide substrate by fluorescence method				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
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