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 20 hits for monomerid = 4706   

TargetSialidase-3(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:  1.60E+3nMAssay Description:Inhibition of MBP-fused recombinant human neuraminidase 3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSialidase-3(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:  1.60E+3nMAssay Description:Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSialidase-3(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:  2.20E+3nMAssay Description:Inhibition of human neuraminidase 3 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
In DepthDetails ArticlePubMed
TargetSialidase-3(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 Neu3 expressed in HEK293T cells using GM3 as substrate incubated for 30 mins by HPLC analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSialidase-3(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:  6.00E+4nMAssay Description:Inhibition of human NEU3 transiently transfected in HEK293T cells by fluorimetric high-performance liquid chromatographyMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSialidase-3(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:  3.00E+4nMAssay Description:Inhibition of human NEU3 using 4MU-NA as substrate after 1 hr by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSialidase-3(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:  6.30E+3nMAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSialidase-3(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:  6.10E+4nMAssay Description:Inhibition of human NEU3 expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSialidase-3(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:  6.30E+3nMAssay Description:Inhibition of human neuraminidase 3 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
In DepthDetails ArticlePubMed
TargetSialidase-3(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:  7.03E+4nMAssay Description:Inhibition of human NEU3 expressed in HEK293 cells by fluorometric high-performance liquid chromatography using ganglioside GM3 substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSialidase-3(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:  4.80E+4nMAssay Description:Inhibition of human neuraminidase 3 assessed as inhibition of 4-methylumbelliferyl-alpha-D-glucopyranoside hydrolysis by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSialidase-3(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 neuraminidase 3 assessed as inhibition of 4-methylumbelliferyl-alpha-D-glucopyranoside hydrolysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSialidase-3(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 neuraminidase 3 assessed as inhibition of 4-methylumbelliferyl-alpha-D-glucopyranoside hydrolysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSialidase-3(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:  7.00E+4nMAssay Description:Inhibition of human neuraminidase 3 assessed as inhibition of GM3 hydrolysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSialidase-3(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:  7.70E+3nMAssay Description:Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSialidase-3(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:  5.40E+4nMAssay Description:Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using GM3 as substrate preincubated for 15 mins followed by substrate add...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSialidase-3(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:  7.70E+3nMAssay Description:Inhibition of N-terminal MBP-fused human NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSialidase-3(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:  7.70E+3nMAssay Description:Inhibition of MBP-fused recombinant human neuraminidase 3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSialidase-3(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:  2.40E+3nMAssay Description:Inhibition of human NEU3 expressed in HEK293A cells as substrate incubated for 1 hr by spectrofluorometric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSialidase-3(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:  7.70E+3nMAssay Description:Inhibition of human NEU3More data for this Ligand-Target Pair
In DepthDetails PubMed