Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypanothione reductase' and Ligand = 'BDBM50170724'   

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)	BDBM50170724 (1,8-Bis(4-benzyloxy-3-methoxybenzimidoylamino)octa...) Show SMILES COc1cc(ccc1OCc1ccccc1)C(=N)NCCCCCCCCNC(=N)c1ccc(OCc2ccccc2)c(OC)c1 Show InChI InChI=1S/C38H46N4O4/c1-43-35-25-31(19-21-33(35)45-27-29-15-9-7-10-16-29)37(39)41-23-13-5-3-4-6-14-24-42-38(40)32-20-22-34(36(26-32)44-2)46-28-30-17-11-8-12-18-30/h7-12,15-22,25-26H,3-6,13-14,23-24,27-28H2,1-2H3,(H2,39,41)(H2,40,42)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Universit£t Heidelberg Curated by ChEMBL					Assay Description Inhibitory constant against recombinant Trypanosoma cruzi trypanothione reductase was determined photometrically at 25 degree C in TR assay buffer (4...				J Med Chem 48: 4793-802 (2005) Article DOI: 10.1021/jm050027z BindingDB Entry DOI: 10.7270/Q2XK8GB5
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