Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypanothione reductase' and Ligand = 'BDBM50070277'   

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)	BDBM50070277 (CHEMBL17800 | Pentanedioic acid (3-{4-bromo-2-[3-(...) Show SMILES CN1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCC(=O)NCCc3ccccc3)c2)CC1 Show InChI InChI=1S/C33H40BrN5O3S/c1-38-19-21-39(22-20-38)18-16-33(42)37-29-23-26(34)13-14-30(29)43-28-10-5-9-27(24-28)36-32(41)12-6-11-31(40)35-17-15-25-7-3-2-4-8-25/h2-5,7-10,13-14,23-24H,6,11-12,15-22H2,1H3,(H,35,40)(H,36,41)(H,37,42)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+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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