Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trans-sialidase' and Ligand = 'BDBM50266444'   

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
Trans-sialidase (Trypanosoma cruzi)	BDBM50266444 (2-(4,5-dimethyl-3-(propoxycarbonyl)thiophen-2-ylca...) Show SMILES CCCOC(=O)c1c(C)c(C)sc1NC(=O)C1CCCCC1C([O-])=O Show InChI InChI=1S/C18H25NO5S/c1-4-9-24-18(23)14-10(2)11(3)25-16(14)19-15(20)12-7-5-6-8-13(12)17(21)22/h12-13H,4-9H2,1-3H3,(H,19,20)(H,21,22)/p-1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi trans-Sialidase by MuNANA assay				Bioorg Med Chem Lett 19: 589-96 (2009) Article DOI: 10.1016/j.bmcl.2008.12.065 BindingDB Entry DOI: 10.7270/Q2X92C7J
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