BDBM4994 (3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid::CHEMBL674::GS4071::Oseltamivir carboxylate

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

InChI Key InChIKey=NENPYTRHICXVCS-YNEHKIRRSA-N

Data  8 KI  99 IC50

PDB links: 42 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 8 hits for monomerid = 4994   

TargetNeuraminidase(Influenza A virus)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM4994((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...)
Affinity DataKi:  0.100nMAssay Description:Inhibition of Influenza A virus (A/Thailand/1(KAN-1)/2004(H5N1)) neuraminidase by by Michaelis Menten equation analysisMore data for this Ligand-Target Pair
TargetNeuraminidase(Influenza B virus (B/Lee/40))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM4994((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...)
Affinity DataKi:  1.10nMAssay Description:Inhibition of influenza B/Memphis/3/89 neuraminidaseMore data for this Ligand-Target Pair
TargetNeuraminidase(Influenza A virus)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM4994((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...)
Affinity DataKi:  1.10nMAssay Description:Inhibition of Influenza A virus (A/duck/Laos/25/2006(H5N1)) neuraminidase by Michaelis Menten equation analysisMore data for this Ligand-Target Pair
TargetNeuraminidase(Influenza A virus)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM4994((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...)
Affinity DataKi:  4.90nMAssay Description:Inhibition of Influenza A virus (A/chicken/Yogjakarta/BBVet-IX/2004(H5N1)) neuraminidase by Michaelis Menten equation analysisMore data for this Ligand-Target Pair
TargetNeuraminidase(Influenza A virus)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM4994((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...)
Affinity DataKi:  7.90nMAssay Description:Inhibition of Influenza A virus (A/Turkey/651242/2006(H5N1)) neuraminidase by Michaelis Menten equation analysisMore data for this Ligand-Target Pair
TargetNeuraminidase(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
Charles University

Curated by ChEMBL
LigandPNGBDBM4994((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...)
Affinity DataKi:  10nMAssay Description:Inhibition of influenza A virus chicken/Nakorn-Patom/Thailand/CU-K2-2004 Neuraminidase N1 at pH 7.4 by DIANA assayMore data for this Ligand-Target Pair
TargetSialidase A(Streptococcus pneumoniae)
Universit?? Degli Studi Di Siena

LigandPNGBDBM4994((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...)
Affinity DataKi:  1.77E+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
TargetSolute carrier family 22 member 6(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM4994((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...)
Affinity DataKi:  4.51E+7nMAssay Description:Binding affinity to human OAT1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed