BDBM50446323 CHEMBL588662

SMILES: CCC(CN1C(=N)NC(C1=O)(c1ccccc1)c1ccccc1)c1ccccc1

InChI Key: InChIKey=PSNGTIQWNUJCAN-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50446323   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Plasmepsin 2 (Plasmodium falciparum)	BDBM50446323 (CHEMBL588662) Show SMILES CCC(CN1C(=N)NC(C1=O)(c1ccccc1)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H25N3O/c1-2-19(20-12-6-3-7-13-20)18-28-23(29)25(27-24(28)26,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,19H,2,18H2,1H3,(H2,26,27)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Saint Louis University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin-2 after 60 mins by fluorescence assay				ACS Med Chem Lett 5: 89-93 (2014) Article DOI: 10.1021/ml400412x BindingDB Entry DOI: 10.7270/Q2ZW1NDW
					More data for this Ligand-Target Pair