Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypanothione reductase' and Ligand = 'BDBM50103370'   

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)	BDBM50103370 (CHEMBL3398187) Show SMILES NCCN(CCN)C1c2ccccc2CCc2cccnc12 Show InChI InChI=1S/C18H24N4/c19-9-12-22(13-10-20)18-16-6-2-1-4-14(16)7-8-15-5-3-11-21-17(15)18/h1-6,11,18H,7-10,12-13,19-20H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.79E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Canisius College Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi trypanothione reductase assessed as reduction of trypanothione disulfide by spectrophotometrically				Bioorg Med Chem 23: 996-1010 (2015) Article DOI: 10.1016/j.bmc.2015.01.018 BindingDB Entry DOI: 10.7270/Q27P9166
					More data for this Ligand-Target Pair