Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trans-sialidase' and Ligand = 'BDBM50266335'   

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)	BDBM50266335 ((5-(2-(benzo[d][1,3]dioxol-5-ylamino)-2-oxoethylth...) Show SMILES Cc1ccc(cc1)S(=O)(=O)[N-]c1nnc(SCC(=O)Nc2ccc3OCOc3c2)s1 Show InChI InChI=1S/C18H16N4O5S3/c1-11-2-5-13(6-3-11)30(24,25)22-17-20-21-18(29-17)28-9-16(23)19-12-4-7-14-15(8-12)27-10-26-14/h2-8H,9-10H2,1H3,(H2,19,20,22,23)/p-1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+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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