Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Plasmepsin II' and Ligand = 'BDBM50513857'   

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)	BDBM50513857 (CHEMBL4541926) Show SMILES CCCCCCc1ccc(cc1)S(=O)(=O)C1C2CCC(N2)C1NCc1ccc2ccccc2c1 |TLB:22:21:20:18.17,THB:12:15:20:18.17| Show InChI InChI=1S/C29H36N2O2S/c1-2-3-4-5-8-21-12-15-25(16-13-21)34(32,33)29-27-18-17-26(31-27)28(29)30-20-22-11-14-23-9-6-7-10-24(23)19-22/h6-7,9-16,19,26-31H,2-5,8,17-18,20H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	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
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50513857 (CHEMBL4541926) Show SMILES CCCCCCc1ccc(cc1)S(=O)(=O)C1C2CCC(N2)C1NCc1ccc2ccccc2c1 |TLB:22:21:20:18.17,THB:12:15:20:18.17| Show InChI InChI=1S/C29H36N2O2S/c1-2-3-4-5-8-21-12-15-25(16-13-21)34(32,33)29-27-18-17-26(31-27)28(29)30-20-22-11-14-23-9-6-7-10-24(23)19-22/h6-7,9-16,19,26-31H,2-5,8,17-18,20H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	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