Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypanothione reductase' and Ligand = 'BDBM50354258'   

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)	BDBM50354258 (CHEMBL1836560) Show SMILES CC1=Nc2ccc(Cl)cc2C(N1CCNC(=O)Cc1ccccc1)c1ccccc1 |t:1| Show InChI InChI=1S/C25H24ClN3O/c1-18-28-23-13-12-21(26)17-22(23)25(20-10-6-3-7-11-20)29(18)15-14-27-24(30)16-19-8-4-2-5-9-19/h2-13,17,25H,14-16H2,1H3,(H,27,30)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+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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