Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 578.7 BDBM50195400

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)	BDBM50195400 (CHEMBL220562 | N-(4-(benzo[d][1,3]dioxol-5-yl)benz...) Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCO)Cc1ccccc1)Cc1ccc(cc1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C37H42N2O4/c1-2-3-5-8-29-11-17-33(18-12-29)37(41)39(22-21-38(23-24-40)26-30-9-6-4-7-10-30)27-31-13-15-32(16-14-31)34-19-20-35-36(25-34)43-28-42-35/h4,6-7,9-20,25,40H,2-3,5,8,21-24,26-28H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	334	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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