Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypanothione reductase' and Ligand = 'BDBM50352512'   

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)	BDBM50352512 (CHEMBL1824852) Show SMILES Cc1sc2ncn3c(SCC(=O)Nc4sc5CCCCc5c4C#N)nnc3c2c1C Show InChI InChI=1S/C20H18N6OS3/c1-10-11(2)29-19-16(10)17-24-25-20(26(17)9-22-19)28-8-15(27)23-18-13(7-21)12-5-3-4-6-14(12)30-18/h9H,3-6,8H2,1-2H3,(H,23,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	1.18E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi TryR using trypanothione as substrate preincubated for 10 mins				Bioorg Med Chem Lett 21: 5255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.07.036 BindingDB Entry DOI: 10.7270/Q2ZP46HX
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