Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 534.8 BDBM50195391

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)	BDBM50195391 (CHEMBL220516 | N-(4-(4-methylpiperazin-1-yl)benzyl...) Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(cc1)N1CCN(C)CC1 Show InChI InChI=1S/C34H54N4O/c1-5-8-11-12-30-13-17-32(18-14-30)34(39)38(28-25-36(21-9-6-2)22-10-7-3)29-31-15-19-33(20-16-31)37-26-23-35(4)24-27-37/h13-20H,5-12,21-29H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of PM2 by FRET assay				Bioorg Med Chem Lett 16: 6194-9 (2006) Article DOI: 10.1016/j.bmcl.2006.09.027 BindingDB Entry DOI: 10.7270/Q2QJ7GZN
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