Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasmepsin II' and Ligand = 'BDBM50514493'   

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)	BDBM50514493 (CHEMBL4440178) Show SMILES COC(=O)CCCC(=O)N1CC2CC(=C(C(C1)N2)C(=O)N(Cc1ccccc1)C1CC1)c1ccc(CCCOc2cc(F)ccc2Br)cc1 |c:13,TLB:7:9:14.13.12:17,31:13:10.9.16:17,THB:18:14:10.9.16:17| Show InChI InChI=1S/C39H43BrFN3O5/c1-48-37(46)11-5-10-36(45)43-24-30-22-32(28-14-12-26(13-15-28)9-6-20-49-35-21-29(41)16-19-33(35)40)38(34(25-43)42-30)39(47)44(31-17-18-31)23-27-7-3-2-4-8-27/h2-4,7-8,12-16,19,21,30-31,34,42H,5-6,9-11,17-18,20,22-25H2,1H3	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
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
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