BDBM4945 (2R,3R,4S)-4-amino-3-acetamido-2-[(2-phenylethyl)(propyl)carbamoyl]-3,4-dihydro-2H-pyran-6-carboxylic acid::CHEMBL73669::carboxamide deriv. 4p

SMILES [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCc1ccccc1

InChI Key InChIKey=ZNRGSYNQOLEMKF-CGTJXYLNSA-N

Data  12 IC50

PDB links: 2 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 12 hits for monomerid = 4945   

TargetNeuraminidase(Influenza A virus (A/Singapore/1/57(H2N2)))
Glaxo Wellcome Research and Development

LigandPNGBDBM4945((2R,3R,4S)-4-amino-3-acetamido-2-[(2-phenylethyl)(...)
Affinity DataIC50:  2nMAssay 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
In DepthDetails ArticlePubMed
TargetNeuraminidase(Influenza B virus)
Glaxo Wellcome Research and Development

LigandPNGBDBM4945((2R,3R,4S)-4-amino-3-acetamido-2-[(2-phenylethyl)(...)
Affinity DataIC50:  3.60E+3nMAssay 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
In DepthDetails ArticlePubMedMMDB

TargetNeuraminidase(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
TBA

Curated by ChEMBL
LigandPNGBDBM4945((2R,3R,4S)-4-amino-3-acetamido-2-[(2-phenylethyl)(...)
Affinity DataIC50:  5nMAssay Description:Inhibition of influenza A sialidase (neuraminidase)More data for this Ligand-Target Pair
In DepthDetails Article
TargetNeuraminidase(Influenza B virus (B/Lee/40))
TBA

Curated by ChEMBL
LigandPNGBDBM4945((2R,3R,4S)-4-amino-3-acetamido-2-[(2-phenylethyl)(...)
Affinity DataIC50:  2.00E+3nMAssay Description:Inhibition of influenza B sialidase (neuraminidase)More data for this Ligand-Target Pair
In DepthDetails ArticleMMDB

TargetNeuraminidase(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
TBA

Curated by ChEMBL
LigandPNGBDBM4945((2R,3R,4S)-4-amino-3-acetamido-2-[(2-phenylethyl)(...)
Affinity DataIC50:  2nMAssay Description:Inhibitory activity against influenza A virus sialidaseMore data for this Ligand-Target Pair
In DepthDetails Article
TargetNeuraminidase(Influenza B virus (B/Lee/40))
TBA

Curated by ChEMBL
LigandPNGBDBM4945((2R,3R,4S)-4-amino-3-acetamido-2-[(2-phenylethyl)(...)
Affinity DataIC50:  3.60E+3nMAssay Description:Inhibitory activity against influenza B sialidase (Victoria)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB

TargetNeuraminidase(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
TBA

Curated by ChEMBL
LigandPNGBDBM4945((2R,3R,4S)-4-amino-3-acetamido-2-[(2-phenylethyl)(...)
Affinity DataIC50:  3nMAssay Description:Inhibitory activity against influenza A sialidase (Aichi)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuraminidase(Influenza B virus (B/Lee/40))
TBA

Curated by ChEMBL
LigandPNGBDBM4945((2R,3R,4S)-4-amino-3-acetamido-2-[(2-phenylethyl)(...)
Affinity DataIC50:  3.60E+3nMAssay Description:Inhibitory activity against influenza B sialidase (Victoria)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB

TargetNeuraminidase(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
TBA

Curated by ChEMBL
LigandPNGBDBM4945((2R,3R,4S)-4-amino-3-acetamido-2-[(2-phenylethyl)(...)
Affinity DataIC50:  2nMAssay 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))
TBA

Curated by ChEMBL
LigandPNGBDBM4945((2R,3R,4S)-4-amino-3-acetamido-2-[(2-phenylethyl)(...)
Affinity DataIC50:  3.60E+3nMAssay Description:Compound was tested for inhibitory concentration against Influenza sialidase type BMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB

TargetNeuraminidase(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
TBA

Curated by ChEMBL
LigandPNGBDBM4945((2R,3R,4S)-4-amino-3-acetamido-2-[(2-phenylethyl)(...)
Affinity DataIC50:  3nMAssay Description:Inhibitory activity against influenza A sialidase (Aichi)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuraminidase(Influenza B virus (B/Lee/40))
TBA

Curated by ChEMBL
LigandPNGBDBM4945((2R,3R,4S)-4-amino-3-acetamido-2-[(2-phenylethyl)(...)
Affinity DataIC50:  3.60E+3nMAssay Description:Inhibitory activity against influenza B virus sialidaseMore data for this Ligand-Target Pair
In DepthDetails ArticleMMDB