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SMILES: OCCCc1cn(CC(=O)N[C@@H]2[C@@H](O)C=C(O[C@H]2[C@H](O)[C@H](O)CO)C(O)=O)nn1

InChI Key: InChIKey=ZYOLWWQBGMXOGA-HFTJKPBSSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50331690   
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))		BDBM50331690
PNG
((2R,3R,4S)-4-hydroxy-3-(2-(4-(3-hydroxypropyl)-1H-...)
Show SMILES OCCCc1cn(CC(=O)N[C@@H]2[C@@H](O)C=C(O[C@H]2[C@H](O)[C@H](O)CO)C(O)=O)nn1 |r,c:14|
Show InChI InChI=1S/C16H24N4O9/c21-3-1-2-8-5-20(19-18-8)6-12(25)17-13-9(23)4-11(16(27)28)29-15(13)14(26)10(24)7-22/h4-5,9-10,13-15,21-24,26H,1-3,6-7H2,(H,17,25)(H,27,28)/t9-,10+,13+,14+,15+/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