Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypanothione reductase' and Ligand = 'BDBM50070280'   

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)	BDBM50070280 (6-(3-{4-Bromo-2-[3-(4-methyl-piperazin-1-yl)-propi...) Show SMILES CN1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCCCC(=O)OCC3=C(Br)C(=O)c4ccccc4C3=O)c2)CC1 |c:36| Show InChI InChI=1S/C38H40Br2N4O6S/c1-43-18-20-44(21-19-43)17-16-34(46)42-31-22-25(39)14-15-32(31)51-27-9-7-8-26(23-27)41-33(45)12-3-2-4-13-35(47)50-24-30-36(40)38(49)29-11-6-5-10-28(29)37(30)48/h5-11,14-15,22-23H,2-4,12-13,16-21,24H2,1H3,(H,41,45)(H,42,46)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
URA CNRS 1309 Curated by ChEMBL					Assay Description Inhibition of trypanothione reductase from T. cruzi, in the presence 57 microM of trypanothione T(SH)2				Bioorg Med Chem Lett 8: 1175-80 (1999) BindingDB Entry DOI: 10.7270/Q2ZC821D
					More data for this Ligand-Target Pair