Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chloroquine resistance transporter' and Ligand = 'BDBM50396334'   

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
Chloroquine resistance transporter (Plasmodium falciparum)	BDBM50396334 (CHEMBL2170034) Show SMILES Clc1ccc(cc1)C(Nc1ccnc2cc(Cl)ccc12)c1ccc(CN2CCNCC2)cc1 Show InChI InChI=1S/C27H26Cl2N4/c28-22-7-5-21(6-8-22)27(32-25-11-12-31-26-17-23(29)9-10-24(25)26)20-3-1-19(2-4-20)18-33-15-13-30-14-16-33/h1-12,17,27,30H,13-16,18H2,(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocyte assessed as inhibition of [3H]chloroquine uptake...				J Med Chem 55: 6948-67 (2012) Article DOI: 10.1021/jm300802s BindingDB Entry DOI: 10.7270/Q2319X1X
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