Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypanothione reductase' and Ligand = 'BDBM50240380'   

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)	BDBM50240380 (2,6-Bis-(benzylidene)-cyclohexanone | 2,6-Bis-[1-p...) Show SMILES O=C1\C(CCC\C1=C/c1ccccc1)=C\c1ccccc1 Show InChI InChI=1S/C20H18O/c21-20-18(14-16-8-3-1-4-9-16)12-7-13-19(20)15-17-10-5-2-6-11-17/h1-6,8-11,14-15H,7,12-13H2/b18-14+,19-15+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.58E+4	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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