Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Trypanothione reductase' and Ligand = 'BDBM50178810'   

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)	BDBM50178810 (CHEMBL371088 | N-(5-chloro-2-(phenylthio)phenyl)bu...) Show SMILES CCCC(=O)Nc1cc(Cl)ccc1Sc1ccccc1 Show InChI InChI=1S/C16H16ClNOS/c1-2-6-16(19)18-14-11-12(17)9-10-15(14)20-13-7-4-3-5-8-13/h3-5,7-11H,2,6H2,1H3,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.13E+4	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
Trypanothione reductase (Trypanosoma cruzi)	BDBM50178810 (CHEMBL371088 | N-(5-chloro-2-(phenylthio)phenyl)bu...) Show SMILES CCCC(=O)Nc1cc(Cl)ccc1Sc1ccccc1 Show InChI InChI=1S/C16H16ClNOS/c1-2-6-16(19)18-14-11-12(17)9-10-15(14)20-13-7-4-3-5-8-13/h3-5,7-11H,2,6H2,1H3,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.05E+4	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