BDBM50063303 (2R,3R,4S)-3-acetamido-4-amino-2-((1R,2R)-1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid::(4S,5R,6R)-5-Acetylamino-4-amino-6-((1R,2R)-1,2,3-trihydroxy-propyl)-5,6-dihydro-4H-pyran-2-carboxylic acid::(4S,5R,6R)-5-acetamido-4-amino-6-((1R,2R)-1,2,3-trihydroxypropyl)-5,6-dihydro-4H-pyran-2-carboxylic acid::4-AMINO-2-DEOXY-2,3-DEHYDRO-N-NEURAMINIC ACID::CHEMBL52270
SMILES: CC(=O)N[C@@H]1[C@@H](N)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
InChI Key: InChIKey=NKENBBIXEGPQLS-UFGQHTETSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Neuraminidase B (Influenza B virus (B/Lee/40)) | BDBM50063303 ((2R,3R,4S)-3-acetamido-4-amino-2-((1R,2R)-1,2,3-tr...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article | n/a | n/a | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of influenza sialidase was determined by measuring the ability to inhibit the hydrolysis of MUN by B Victoria virus grown in hen eggs | Bioorg Med Chem Lett 6: 1805-1808 (1996) Article DOI: 10.1016/0960-894X(96)00318-6 BindingDB Entry DOI: 10.7270/Q2T1544R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuraminidase A (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...) | BDBM50063303 ((2R,3R,4S)-3-acetamido-4-amino-2-((1R,2R)-1,2,3-tr...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article | n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of influenza sialidase was determined by measuring the ability to inhibit the hydrolysis of MUN by A/Aichi virus grown in hen eggs | Bioorg Med Chem Lett 6: 1805-1808 (1996) Article DOI: 10.1016/0960-894X(96)00318-6 BindingDB Entry DOI: 10.7270/Q2T1544R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuraminidase B (Influenza B virus (B/Lee/40)) | BDBM50063303 ((2R,3R,4S)-3-acetamido-4-amino-2-((1R,2R)-1,2,3-tr...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article | n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of influenza B sialidase (neuraminidase) | Bioorg Med Chem Lett 6: 2931-2936 (1996) Article DOI: 10.1016/S0960-894X(96)00542-2 BindingDB Entry DOI: 10.7270/Q24B31TM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuraminidase A (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...) | BDBM50063303 ((2R,3R,4S)-3-acetamido-4-amino-2-((1R,2R)-1,2,3-tr...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article | n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of influenza A sialidase (neuraminidase) | Bioorg Med Chem Lett 6: 2931-2936 (1996) Article DOI: 10.1016/S0960-894X(96)00542-2 BindingDB Entry DOI: 10.7270/Q24B31TM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuraminidase A (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...) | BDBM50063303 ((2R,3R,4S)-3-acetamido-4-amino-2-((1R,2R)-1,2,3-tr...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research and Development Limited Curated by ChEMBL | Assay Description Compound was tested for inhibitory concentration against Influenza sialidase type A | J Med Chem 41: 798-807 (1998) Article DOI: 10.1021/jm9703754 BindingDB Entry DOI: 10.7270/Q2M32WFK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuraminidase (Influenza A virus) | BDBM50063303 ((2R,3R,4S)-3-acetamido-4-amino-2-((1R,2R)-1,2,3-tr...) | PDB MMDB B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 3.20E+8 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University Curated by ChEMBL | Assay Description Inhibition of influenza virus neuraminidase | Eur J Med Chem 43: 569-76 (2008) Article DOI: 10.1016/j.ejmech.2007.04.011 BindingDB Entry DOI: 10.7270/Q2C53PNP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sialidase 1 (Homo sapiens (Human)) | BDBM50063303 ((2R,3R,4S)-3-acetamido-4-amino-2-((1R,2R)-1,2,3-tr...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta Curated by ChEMBL | Assay Description Inhibition of human neuraminidase 1 using 4MU-NANA as substrate after 30 mins by fluorescence assay | J Med Chem 56: 2948-58 (2013) Article DOI: 10.1021/jm301892f BindingDB Entry DOI: 10.7270/Q25M672F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuraminidase (Vibrio cholerae) | BDBM50063303 ((2R,3R,4S)-3-acetamido-4-amino-2-((1R,2R)-1,2,3-tr...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta Curated by ChEMBL | Assay Description Inhibition of Vibrio cholerae neuraminidase | J Med Chem 56: 2948-58 (2013) Article DOI: 10.1021/jm301892f BindingDB Entry DOI: 10.7270/Q25M672F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sialidase 4 (Homo sapiens (Human)) | BDBM50063303 ((2R,3R,4S)-3-acetamido-4-amino-2-((1R,2R)-1,2,3-tr...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 7.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta Curated by ChEMBL | Assay Description Inhibition of human neuraminidase 4 using 4MU-NANA as substrate measured for every 30 seconds for 60 mins by fluorescence assay | J Med Chem 56: 2948-58 (2013) Article DOI: 10.1021/jm301892f BindingDB Entry DOI: 10.7270/Q25M672F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sialidase 3 (Homo sapiens (Human)) | BDBM50063303 ((2R,3R,4S)-3-acetamido-4-amino-2-((1R,2R)-1,2,3-tr...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.80E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta Curated by ChEMBL | Assay 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... | J Med Chem 56: 2948-58 (2013) Article DOI: 10.1021/jm301892f BindingDB Entry DOI: 10.7270/Q25M672F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sialidase 2 (Homo sapiens (Human)) | BDBM50063303 ((2R,3R,4S)-3-acetamido-4-amino-2-((1R,2R)-1,2,3-tr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 4.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta Curated by ChEMBL | Assay 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... | J Med Chem 56: 2948-58 (2013) Article DOI: 10.1021/jm301892f BindingDB Entry DOI: 10.7270/Q25M672F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuraminidase B (Influenza B virus (B/Lee/40)) | BDBM50063303 ((2R,3R,4S)-3-acetamido-4-amino-2-((1R,2R)-1,2,3-tr...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research and Development Limited Curated by ChEMBL | Assay Description Compound was tested for inhibitory concentration against Influenza sialidase type B | J Med Chem 41: 798-807 (1998) Article DOI: 10.1021/jm9703754 BindingDB Entry DOI: 10.7270/Q2M32WFK | |||||||||||
More data for this Ligand-Target Pair |