Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypanothione reductase' and Ligand = 'BDBM50445450'   

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)	BDBM50445450 (CHEMBL3104704) Show SMILES OCCc1cn(Cc2ccc(\C=C3/CC\C(=C/c4ccc(Cn5cc(CCO)nn5)cc4)C3=O)cc2)nn1 Show InChI InChI=1S/C29H30N6O3/c36-13-11-27-19-34(32-30-27)17-23-5-1-21(2-6-23)15-25-9-10-26(29(25)38)16-22-3-7-24(8-4-22)18-35-20-28(12-14-37)31-33-35/h1-8,15-16,19-20,36-37H,9-14,17-18H2/b25-15+,26-16+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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
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