Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypanothione reductase' and Ligand = 'BDBM50064429'   

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 brucei brucei)	BDBM50064429 (4-((dimethylamino)methyl)-2,6-diisopropylphenol | ...) Show SMILES CC(C)c1cc(CN(C)C)cc(C(C)C)c1O Show InChI InChI=1S/C15H25NO/c1-10(2)13-7-12(9-16(5)6)8-14(11(3)4)15(13)17/h7-8,10-11,17H,9H2,1-6H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.18E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of TR by DTNB-coupled assay				Bioorg Med Chem Lett 17: 1280-3 (2007) Article DOI: 10.1016/j.bmcl.2006.12.016 BindingDB Entry DOI: 10.7270/Q2CF9QXQ
					More data for this Ligand-Target Pair