Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 387.5 BDBM50146528

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)	BDBM50146528 (6-Amino-2-(S)-amino-hexanoic acid [4-(6-methoxy-qu...) Show SMILES COc1cc(NC(C)CCCNC(=O)[C@@H](N)CCCCN)c2ncccc2c1 Show InChI InChI=1S/C21H33N5O2/c1-15(7-5-12-25-21(27)18(23)9-3-4-10-22)26-19-14-17(28-2)13-16-8-6-11-24-20(16)19/h6,8,11,13-15,18,26H,3-5,7,9-10,12,22-23H2,1-2H3,(H,25,27)/t15?,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Milan Curated by ChEMBL					Assay Description In vitro concentration required for inhibition of Plasmodium falciparum plasmepsin-2				Bioorg Med Chem Lett 14: 2931-4 (2004) Article DOI: 10.1016/j.bmcl.2004.03.030 BindingDB Entry DOI: 10.7270/Q2G44QVR
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