BDBM50408762 DESETHYLCHLOROQUINE::Desethyl chloroquine

SMILES: CCNCCCC(C)Nc1ccnc2cc(Cl)ccc12

InChI Key: InChIKey=MCYUUUTUAAGOOT-UHFFFAOYSA-N

Data: 1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50408762   

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
Histidine-rich protein (Plasmodium falciparum)	BDBM50408762 (DESETHYLCHLOROQUINE | Desethyl chloroquine) Show SMILES CCNCCCC(C)Nc1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C16H22ClN3/c1-3-18-9-4-5-12(2)20-15-8-10-19-16-11-13(17)6-7-14(15)16/h6-8,10-12,18H,3-5,9H2,1-2H3,(H,19,20)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of hematin polymerization				J Med Chem 42: 4630-9 (1999) BindingDB Entry DOI: 10.7270/Q2DV1M34
					More data for this Ligand-Target Pair