Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypanothione reductase' and Ligand = 'BDBM50354325'   

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
Trypanothione reductase (Trypanosoma brucei brucei)	BDBM50354325 (CHEMBL1836380) Show SMILES CN(C)CCCN1C(c2ccccc2)c2cc(Cl)ccc2N=C1C |c:23| Show InChI InChI=1S/C20H24ClN3/c1-15-22-19-11-10-17(21)14-18(19)20(16-8-5-4-6-9-16)24(15)13-7-12-23(2)3/h4-6,8-11,14,20H,7,12-13H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay				J Med Chem 54: 6514-30 (2011) Article DOI: 10.1021/jm200312v BindingDB Entry DOI: 10.7270/Q2G73F4P
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