BDBM4706 (2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid::2,3-didehydro-2-deoxy-N-acetylneuraminic acid::CHEMBL96712::DANA::Neu5Ac2en

SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O

InChI Key InChIKey=JINJZWSZQKHCIP-UFGQHTETSA-N

Data  19 KI  73 IC50

PDB links: 56 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 4706   

TargetNeuraminidase(Influenza A virus)
Simon Fraser University

Curated by ChEMBL
LigandPNGBDBM4706((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Affinity DataKi:  5.90E+3nMAssay Description:Inhibition of influenza A nuraminidase N1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuraminidase(Influenza A virus (N9))
Biocryst Pharmaceuticals

LigandPNGBDBM4706((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Affinity DataIC50:  1.30E+4nMpH: 6.5 T: 2°CAssay Description:A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura...More data for this Ligand-Target Pair
TargetNeuraminidase(Influenza A virus)
Simon Fraser University

Curated by ChEMBL
LigandPNGBDBM4706((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Affinity DataIC50:  1.00E+3nMAssay Description:Inhibition of Influenza A virus (A/duck/Tsukuba/67/2005(H1N1)) neuraminidase N1 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins follo...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuraminidase(Influenza A virus)
Simon Fraser University

Curated by ChEMBL
LigandPNGBDBM4706((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Affinity DataIC50:  1.00E+3nMAssay Description:Inhibition of Influenza A virus (A/duck/Tsukuba/28/2005(H6N2)) neuraminidase N2 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins follo...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuraminidase(Influenza A virus)
Simon Fraser University

Curated by ChEMBL
LigandPNGBDBM4706((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Affinity DataIC50:  1.00E+3nMAssay Description:Inhibition of Influenza A virus (A/duck/Tsukuba/394/2005(H5N3)) neuraminidase N3 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins foll...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuraminidase(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
Glaxo Wellcome Research And Development

Curated by ChEMBL
LigandPNGBDBM4706((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Affinity DataIC50:  8.60E+3nMAssay Description:Compound was tested for inhibitory concentration against Influenza sialidase type AMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuraminidase(Influenza B virus (B/Lee/40))
Glaxo Wellcome Research And Development

Curated by ChEMBL
LigandPNGBDBM4706((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Affinity DataIC50:  1.50E+4nMAssay Description:Compound was tested for inhibitory concentration against Influenza sialidase type BMore data for this Ligand-Target Pair
TargetNeuraminidase(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
Glaxo Wellcome Research And Development

Curated by ChEMBL
LigandPNGBDBM4706((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Affinity DataIC50:  1.00E+4nMAssay Description:inhibitory concentration required to inhibit neuraminidase enzyme from different strains of influenza A virusMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuraminidase(Vibrio cholerae)
University Of Alberta

Curated by ChEMBL
LigandPNGBDBM4706((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Affinity DataIC50:  1.70E+5nMAssay Description:Inhibition of Vibrio cholerae neuraminidaseMore data for this Ligand-Target Pair
TargetNeuraminidase(Influenza A virus)
Simon Fraser University

Curated by ChEMBL
LigandPNGBDBM4706((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Affinity DataIC50:  5.20E+4nMAssay Description:Inhibition of Influenza A virus Mississippi/1/85(H3N2) neuraminidaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuraminidase(Influenza A virus)
Simon Fraser University

Curated by ChEMBL
LigandPNGBDBM4706((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Affinity DataIC50:  2.40E+5nMAssay Description:Inhibition of Influenza A virus Brazilll/78(H1N1) neuraminidaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuraminidase(Influenza A virus)
Simon Fraser University

Curated by ChEMBL
LigandPNGBDBM4706((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Affinity DataIC50:  12nMAssay Description:Inhibition of Influenza A virus H5N1 neuraminidaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuraminidase(Influenza A virus)
Simon Fraser University

Curated by ChEMBL
LigandPNGBDBM4706((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Affinity DataIC50:  8.60E+9nMAssay Description:Inhibition of influenza virus neuraminidaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed