Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypanothione reductase' and Ligand = 'BDBM50070281'   

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)	BDBM50070281 (CHEMBL279832 | Pentanedioic acid benzhydryl-amide ...) Show SMILES CN1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCC(=O)NC(c3ccccc3)c3ccccc3)c2)CC1 Show InChI InChI=1S/C38H42BrN5O3S/c1-43-22-24-44(25-23-43)21-20-37(47)41-33-26-30(39)18-19-34(33)48-32-15-8-14-31(27-32)40-35(45)16-9-17-36(46)42-38(28-10-4-2-5-11-28)29-12-6-3-7-13-29/h2-8,10-15,18-19,26-27,38H,9,16-17,20-25H2,1H3,(H,40,45)(H,41,47)(H,42,46)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80E+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
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