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
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 4706   

TargetSialidase A(Streptococcus pneumoniae)
Universit?? Degli Studi Di Siena

LigandPNGBDBM4706((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Affinity DataKi:  1.60E+3nMpH: 9.0Assay Description:Briefly, the reaction mixtures containing the substrates and up to 100 nM sialidase were incubated at 37°C and stopped by the addition of 0.5 M Na2CO...More data for this Ligand-Target Pair
TargetSialidase-2(Homo sapiens (Human))
University Of Alberta

Curated by ChEMBL
LigandPNGBDBM4706((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Affinity DataKi:  5.00E+3nMAssay Description:Inhibition of human neuraminidase 2 expressed in Escherichia coli using 4MU-NANA as substrate measured for every 30 seconds for 60 mins by fluorescen...More data for this Ligand-Target Pair
TargetSialidase-2(Homo sapiens (Human))
University Of Alberta

Curated by ChEMBL
LigandPNGBDBM4706((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Affinity DataKi:  2.50E+4nMAssay Description:Non-competitive inhibition of N-terminal MBP-fused human NEU2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated with substrate f...More data for this Ligand-Target Pair
TargetSialidase-2(Homo sapiens (Human))
University Of Alberta

Curated by ChEMBL
LigandPNGBDBM4706((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Affinity DataKi:  2.50E+4nMAssay Description:Inhibition of MBP-fused recombinant human neuraminidase 2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed...More data for this Ligand-Target Pair
TargetSialidase-2(Homo sapiens (Human))
University Of Alberta

Curated by ChEMBL
LigandPNGBDBM4706((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Affinity DataKi:  2.50E+4nMAssay Description:Inhibition of human N-terminal MBP-fused NEU2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...More data for this Ligand-Target Pair
TargetSialidase-2(Homo sapiens (Human))
University Of Alberta

Curated by ChEMBL
LigandPNGBDBM4706((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Affinity DataKi:  1.40E+5nMAssay Description:Inhibition of human neuraminidase 2More data for this Ligand-Target Pair
TargetNeuraminidase NanB(Streptococcus pneumoniae)
Universit?? Degli Studi Di Siena

LigandPNGBDBM4706((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Affinity DataKi:  3.30E+5nMpH: 9.0Assay Description:Briefly, the reaction mixtures containing the substrates and up to 100 nM sialidase were incubated at 37°C and stopped by the addition of 0.5 M Na2CO...More data for this Ligand-Target Pair
TargetTrans-sialidase(Trypanosoma cruzi)
University Of Bath

Curated by ChEMBL
LigandPNGBDBM4706((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Affinity DataKi:  1.23E+7nMAssay Description:Inhibition of recombinant Trypanosoma cruzi trans-sialidase expressed in Escherichia coli BL21 (DE3) using MuNANA as substrate after 10 mins in prese...More data for this Ligand-Target Pair
TargetTrans-sialidase(Trypanosoma cruzi)
University Of Manchester

Curated by ChEMBL
LigandPNGBDBM4706((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Affinity DataKi:  1.23E+7nMAssay Description:Inhibition of Trypanosoma cruzi trans-SialidaseMore data for this Ligand-Target Pair
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
TargetSialidase-2(Homo sapiens (Human))
University Of Alberta

Curated by ChEMBL
LigandPNGBDBM4706((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Affinity DataIC50:  9.00E+4nMAssay Description:Inhibition of human neuraminidase 2 expressed in Escherichia coli using 4MU-NANA as substrate after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
TargetSialidase-2(Homo sapiens (Human))
University Of Alberta

Curated by ChEMBL
LigandPNGBDBM4706((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Affinity DataIC50:  5.00E+4nMAssay Description:Inhibition of human Neu2 expressed in HEK293T cells using 4MU-Neu5Ac as substrate incubated for 30 mins by HPLC analysisMore data for this Ligand-Target Pair
TargetSialidase-2(Homo sapiens (Human))
University Of Alberta

Curated by ChEMBL
LigandPNGBDBM4706((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Affinity DataIC50:  4.00E+4nMAssay Description:Inhibition of human NEU2 transiently transfected in HEK293T cells by fluorimetric analysisMore data for this Ligand-Target Pair
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
TargetSialidase-2(Homo sapiens (Human))
University Of Alberta

Curated by ChEMBL
LigandPNGBDBM4706((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Affinity DataIC50:  9.00E+4nMAssay Description:Inhibition of human NEU2 using 4-MU-NANA as substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence plate...More data for this Ligand-Target Pair
TargetSialidase-2(Homo sapiens (Human))
University Of Alberta

Curated by ChEMBL
LigandPNGBDBM4706((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Affinity DataIC50:  4.30E+4nMAssay Description:Inhibition of human NEU2 expressed in HEK293 cellsMore data for this Ligand-Target Pair
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
TargetSialidase-2(Homo sapiens (Human))
University Of Alberta

Curated by ChEMBL
LigandPNGBDBM4706((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Affinity DataIC50:  4.55E+4nMAssay Description:Inhibition of human NEU2 expressed in HEK293 cells by fluorometric high-performance liquid chromatography using 4MU-NeuAc substrateMore data for this Ligand-Target Pair
TargetSialidase A(Streptococcus pneumoniae)
Universit?? Degli Studi Di Siena

LigandPNGBDBM4706((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Affinity DataIC50:  4.80E+3nMAssay Description:Inhibition of Streptococcus pneumoniae sialidase NanA using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate after 60 mins by FRET a...More data for this Ligand-Target Pair
TargetSialidase-2(Homo sapiens (Human))
University Of Alberta

Curated by ChEMBL
LigandPNGBDBM4706((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Affinity DataIC50:  3.70E+4nMAssay Description:Inhibition of human N-terminal MBP-fused NEU2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...More data for this Ligand-Target Pair
TargetSialidase-2(Homo sapiens (Human))
University Of Alberta

Curated by ChEMBL
LigandPNGBDBM4706((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Affinity DataIC50:  3.70E+4nMAssay Description:Inhibition of N-terminal MBP-fused human NEU2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...More data for this Ligand-Target Pair
TargetSialidase B(Streptococcus pneumoniae)
University Of California-Davis

Curated by ChEMBL
LigandPNGBDBM4706((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Affinity DataIC50: >1.00E+6nMAssay Description:Inhibition of Streptococcus pneumoniae sialidase NanC using Neu5Acalpha2-3GalbetapNP as substrate after 30 mins by colorimetric assayMore data for this Ligand-Target Pair
TargetSialidase(Vibrio cholerae)
University Of California-Davis

Curated by ChEMBL
LigandPNGBDBM4706((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Affinity DataIC50:  8.60E+3nMAssay Description:Inhibition of Vibrio cholerae sialidase using Neu5Acalpha2-3GalbetapNP as substrate after 30 mins by colorimetric assayMore data for this Ligand-Target Pair
TargetSialidase-2(Homo sapiens (Human))
University Of Alberta

Curated by ChEMBL
LigandPNGBDBM4706((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Affinity DataIC50:  1.80E+4nMAssay Description:Inhibition of recombinant human cytosolic sialidase NEU2 using Neu5Acalpha2-3GalbetapNP as substrate after 30 mins by colorimetric assayMore data for this Ligand-Target Pair
TargetNeuraminidase NanB(Streptococcus pneumoniae)
Universit?? Degli Studi Di Siena

LigandPNGBDBM4706((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Affinity DataIC50: >1.00E+6nMAssay Description:Inhibition of Streptococcus pneumoniae NanB using Neu5Acalpha2-3GalbetapNP as substrate after 30 mins by colorimetric assayMore data for this Ligand-Target Pair
TargetSialidase A(Streptococcus pneumoniae)
Universit?? Degli Studi Di Siena

LigandPNGBDBM4706((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Affinity DataIC50:  1.00E+4nMAssay Description:Inhibition of Streptococcus pneumoniae NanA using Neu5Acalpha2-3GalbetapNP as substrate after 30 mins by colorimetric assayMore data for this Ligand-Target Pair
TargetSialidase-2(Homo sapiens (Human))
University Of Alberta

Curated by ChEMBL
LigandPNGBDBM4706((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Affinity DataIC50:  3.70E+4nMAssay Description:Inhibition of MBP-fused recombinant human neuraminidase 2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed...More data for this Ligand-Target Pair
TargetSialidase-2(Homo sapiens (Human))
University Of Alberta

Curated by ChEMBL
LigandPNGBDBM4706((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Affinity DataIC50:  1.80E+4nMAssay Description:Inhibition of NEU2 (unknown origin) using Neu5Acalpha2-3GalbetapNP as substrate incubated for 30 minsMore data for this Ligand-Target Pair
TargetSialidase-2(Homo sapiens (Human))
University Of Alberta

Curated by ChEMBL
LigandPNGBDBM4706((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Affinity DataIC50:  3.20E+4nMAssay Description:Inhibition of NEU2 (unknown origin) using Neu5Acalpha2-6GalbetapNP as substrate incubated for 30 minsMore data for this Ligand-Target Pair
TargetSialidase-2(Homo sapiens (Human))
University Of Alberta

Curated by ChEMBL
LigandPNGBDBM4706((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Affinity DataIC50:  3.70E+4nMAssay Description:Inhibition of human NEU2More data for this Ligand-Target Pair