Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuraminidase' and Ligand = 'BDBM50428072'   

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
Neuraminidase (Vibrio cholerae)	BDBM50428072 (CHEMBL2325810) Show SMILES CC(=O)N[C@H]1[C@H](CNc2ccc(cc2)-c2ccccc2)OC(=C[C@@H]1N=[N+]=[N-])C(O)=O |r,c:23| Show InChI InChI=1S/C21H21N5O4/c1-13(27)24-20-17(25-26-22)11-18(21(28)29)30-19(20)12-23-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-11,17,19-20,23H,12H2,1H3,(H,24,27)(H,28,29)/t17-,19-,20+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of Vibrio cholerae neuraminidase				J Med Chem 56: 2948-58 (2013) Article DOI: 10.1021/jm301892f BindingDB Entry DOI: 10.7270/Q25M672F
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