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 12 hits for monomerid = 4706   

TargetSialidase-1(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:  1.20E+4nMAssay Description:Inhibition of recombinant His6-tagged human neuraminidase 1 expressed in HEK293 cells using 4MU-NANA as substrate preincubated for 15 mins followed b...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSialidase-1(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:  1.20E+4nMAssay Description:Competitive inhibition of human His6-tagged NEU1 expressed in HEK293 cells using 4MU-NANA as substrate preincubated with substrate for 15 mins and me...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSialidase-1(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 Neu1 expressed in HEK293T cells using 4MU-Neu5Ac as substrate incubated for 30 mins by HPLC analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSialidase-1(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:  1.43E+5nMAssay Description:Inhibition of human NEU1 transiently transfected in HEK293T cells by fluorimetric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSialidase-1(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:  7.60E+4nMAssay Description:Inhibition of human NEU1 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-1(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:  1.43E+5nMAssay Description:Inhibition of human NEU1 expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSialidase-1(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:  8.00E+4nMAssay Description:Inhibition of human neuraminidase 1 using 4MU-NANA as substrate after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSialidase-1(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:  1.68E+5nMAssay Description:Inhibition of human NEU1 expressed in HEK293 cells by fluorometric high-performance liquid chromatography using 4MU-NeuAc substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSialidase-1(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:  4.90E+4nMAssay Description:Inhibition of human CathA-IRES-6His-tagged NEU1 expressed in HEK293T cells using 4MU-NANA as substrate preincubated for 15 mins followed by substrate...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSialidase-1(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:  4.90E+4nMAssay Description:Inhibition of human His6-tagged NEU1 expressed in HEK293 cells using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition an...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSialidase-1(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:  4.90E+4nMAssay Description:Inhibition of recombinant His6-tagged human neuraminidase 1 expressed in HEK293 cells using 4MU-NANA as substrate preincubated for 15 mins followed b...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSialidase-1(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:  4.90E+4nMAssay Description:Inhibition of human NEU1More data for this Ligand-Target Pair
In DepthDetails PubMed