Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Trypanothione reductase' and Ligand = 'BDBM50178801'   

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)	BDBM50178801 (CHEMBL198590 | N-(5-chloro-2-(phenylthio)phenyl)be...) Show SMILES Clc1ccc(Sc2ccccc2)c(NC(=O)c2ccccc2)c1 Show InChI InChI=1S/C19H14ClNOS/c20-15-11-12-18(23-16-9-5-2-6-10-16)17(13-15)21-19(22)14-7-3-1-4-8-14/h1-13H,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.45E+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)	BDBM50178801 (CHEMBL198590 | N-(5-chloro-2-(phenylthio)phenyl)be...) Show SMILES Clc1ccc(Sc2ccccc2)c(NC(=O)c2ccccc2)c1 Show InChI InChI=1S/C19H14ClNOS/c20-15-11-12-18(23-16-9-5-2-6-10-16)17(13-15)21-19(22)14-7-3-1-4-8-14/h1-13H,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.96E+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