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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sialidase 3' and Ligand = 'BDBM50331681'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Sialidase 3


(Homo sapiens (Human))
BDBM50331681
PNG
((2R,3R,4S)-3-acetamido-2-((1R,2R)-1,2-dihydroxy-3-...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)Cn1cc(nn1)C(C)(C)O)C(O)=O |r,c:7|
Show InChI InChI=1S/C16H24N4O8/c1-7(21)17-12-8(22)4-10(15(25)26)28-14(12)13(24)9(23)5-20-6-11(18-19-20)16(2,3)27/h4,6,8-9,12-14,22-24,27H,5H2,1-3H3,(H,17,21)(H,25,26)/t8-,9+,12+,13+,14+/m0/s1
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KEGG

UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80E+5n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human NEU3 using 4-MU-NANA as substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence plate...


ACS Med Chem Lett 4: 532-7 (2013)


Article DOI: 10.1021/ml400080t
BindingDB Entry DOI: 10.7270/Q25H7HNQ
More data for this
Ligand-Target Pair
Sialidase 3


(Homo sapiens (Human))
BDBM50331681
PNG
((2R,3R,4S)-3-acetamido-2-((1R,2R)-1,2-dihydroxy-3-...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)Cn1cc(nn1)C(C)(C)O)C(O)=O |r,c:7|
Show InChI InChI=1S/C16H24N4O8/c1-7(21)17-12-8(22)4-10(15(25)26)28-14(12)13(24)9(23)5-20-6-11(18-19-20)16(2,3)27/h4,6,8-9,12-14,22-24,27H,5H2,1-3H3,(H,17,21)(H,25,26)/t8-,9+,12+,13+,14+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.00E+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