Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypanothione reductase' and Ligand = 'BDBM50093205'   

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)	BDBM50093205 (2-(1H-Indol-3-yl)-N-(3-{4-[3-(2-1H-indol-3-yl-acet...) Show SMILES O=C(Cc1c[nH]c2ccccc12)NCCCNCCCCNCCCNC(=O)Cc1c[nH]c2ccccc12 Show InChI InChI=1S/C30H40N6O2/c37-29(19-23-21-35-27-11-3-1-9-25(23)27)33-17-7-15-31-13-5-6-14-32-16-8-18-34-30(38)20-24-22-36-28-12-4-2-10-26(24)28/h1-4,9-12,21-22,31-32,35-36H,5-8,13-20H2,(H,33,37)(H,34,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Southamton Curated by ChEMBL					Assay Description The compound was evaluated for inhibition of trypanothione reductase enzyme				Bioorg Med Chem Lett 10: 2367-9 (2001) BindingDB Entry DOI: 10.7270/Q2HH6KKC
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