Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypanothione reductase' and Ligand = 'BDBM50201776'   

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)	BDBM50201776 (3-(2,3-dimethylphenylamino)-1-(3-nitrophenyl)propa...) Show SMILES Cc1cccc(NCCC(=O)c2cccc(c2)[N+]([O-])=O)c1C Show InChI InChI=1S/C17H18N2O3/c1-12-5-3-8-16(13(12)2)18-10-9-17(20)14-6-4-7-15(11-14)19(21)22/h3-8,11,18H,9-10H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	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
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