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 5 hits for monomerid = 4994   

TargetNeuraminidase(Influenza A virus)
Utrecht University

Curated by ChEMBL
LigandPNGBDBM4994((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...)
Affinity DataIC50:  250nMAssay Description:Inhibition of Influenza A virus (A/Anhui/1/2005(H5N1)) wild-type neuraminidase using MU-NANA as substrate after 1 hrMore data for this Ligand-Target Pair
TargetNeuraminidase(Influenza A virus)
Utrecht University

Curated by ChEMBL
LigandPNGBDBM4994((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...)
Affinity DataIC50:  330nMAssay Description:Inhibition of Influenza A virus (A/Anhui/1/2005(H5N1)) neuraminidase H274Y mutant using MU-NANA as substrate after 1 hrMore data for this Ligand-Target Pair
TargetNeuraminidase(Influenza A virus)
Utrecht University

Curated by ChEMBL
LigandPNGBDBM4994((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...)
Affinity DataIC50:  2.10nMAssay Description:Inhibition of Influenza A virus (A/California/04/2009(H1N1)) wild-type neuraminidase using MU-NANA as substrate after 1 hrMore data for this Ligand-Target Pair
TargetNeuraminidase(Influenza A virus)
Utrecht University

Curated by ChEMBL
LigandPNGBDBM4994((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...)
Affinity DataIC50:  250nMAssay Description:Inhibition of Influenza A virus (A/California/04/2009(H1N1)) neuraminidase H274Y mutant using MU-NANA as substrate after 1 hrMore data for this Ligand-Target Pair
TargetIntegrase(Human immunodeficiency virus 1)
Utrecht University

Curated by ChEMBL
LigandPNGBDBM4994((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...)
Affinity DataIC50:  10nMAssay Description:Inhibition of Influenza A virus (A/Wisconsin/09/2013(HIN1)) recombinant Neuraminidase using MUNANA as substrate incubated for 60 mins by fluorescence...More data for this Ligand-Target Pair
In DepthDetails PubMed