Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 558.1 BDBM50513812

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

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)	BDBM50513812 (CHEMBL4582671) Show SMILES CN(CCc1ccccc1)C(=O)C1=C(CC2CN(CC1N2)C(C)=O)c1ccc(CCOc2ccccc2Cl)cc1 |t:13| Show InChI InChI=1S/C33H36ClN3O3/c1-23(38)37-21-27-20-28(26-14-12-25(13-15-26)17-19-40-31-11-7-6-10-29(31)34)32(30(22-37)35-27)33(39)36(2)18-16-24-8-4-3-5-9-24/h3-15,27,30,35H,16-22H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	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-ERNIef:LSFP-EDANS as substrate incubated for 40 mins by FRET assay				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
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