Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypanothione reductase' and Ligand = 'BDBM50178813'   

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)	BDBM50178813 (2-amino-4-chloro-phenyl phenyl sulfide | CHEMBL197...) Show SMILES Nc1cc(Cl)ccc1Sc1ccccc1 Show InChI InChI=1S/C12H10ClNS/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-8H,14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Mixed inhibition of trypanothione reductase from Trypanosoma cruzi using TSST substrate				J Med Chem 48: 8087-97 (2005) Article DOI: 10.1021/jm050819t BindingDB Entry DOI: 10.7270/Q2V69J65
					More data for this Ligand-Target Pair