Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypanothione reductase' and Ligand = 'BDBM50445459'   

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 cruzi)	BDBM50445459 (2,5-Bis(4-(Dimethylamino)Benzylidene)Cyclopentanon...) Show SMILES CN(C)c1ccc(\C=C2/CC\C(=C/c3ccc(cc3)N(C)C)C2=O)cc1 Show InChI InChI=1S/C23H26N2O/c1-24(2)21-11-5-17(6-12-21)15-19-9-10-20(23(19)26)16-18-7-13-22(14-8-18)25(3)4/h5-8,11-16H,9-10H2,1-4H3/b19-15+,20-16+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Minas Gerais Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi trypanothione reductase expressed in Escherichia coli BL21(DE3) assessed as reduction of oxidized trypanothione prein...				Eur J Med Chem 71: 282-9 (2014) Article DOI: 10.1016/j.ejmech.2013.11.011 BindingDB Entry DOI: 10.7270/Q25Q4XKQ
					More data for this Ligand-Target Pair