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SMILES: OC[C@@H](O)[C@@H](O)[C@@H]1OC(=C[C@H](O)[C@H]1NC(=O)Cn1cc(CO)nn1)C(O)=O

InChI Key: InChIKey=ZONRIMZPSLRAAE-RFCPQYNYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50331688   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Sialidase-3


(Homo sapiens (Human))		BDBM50331688
PNG
((2R,3R,4S)-4-hydroxy-3-(2-(4-(hydroxymethyl)-1H-1,...)
Show SMILES OC[C@@H](O)[C@@H](O)[C@@H]1OC(=C[C@H](O)[C@H]1NC(=O)Cn1cc(CO)nn1)C(O)=O |r,c:8|
Show InChI InChI=1S/C14H20N4O9/c19-4-6-2-18(17-16-6)3-10(23)15-11-7(21)1-9(14(25)26)27-13(11)12(24)8(22)5-20/h1-2,7-8,11-13,19-22,24H,3-5H2,(H,15,23)(H,25,26)/t7-,8+,11+,12+,13+/m0/s1
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Similars
Article
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human neuraminidase 3 assessed as inhibition of 4-methylumbelliferyl-alpha-D-glucopyranoside hydrolysis by fluorescence assay

Bioorg Med Chem Lett 20: 7529-33 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.111
BindingDB Entry DOI: 10.7270/Q2K938H5
More data for this
Ligand-Target Pair