null

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

InChI Key InChIKey=VSZGPKBBMSAYNT-RRFJBIMHSA-N

PDB links: 6 PDB IDs contain inhibitors having a similarity of 90% to 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 6 hits for monomerid = 5025   

TargetNeuraminidase(Influenza A virus (A/turkey/Italy/4426/2000(H7N1)))
Chulalongkorn University

LigandPNGBDBM5025(Oseltamivir | US10919856, POSITIVE CONTROL | ethyl...)copy SMILEScopy InChI
Affinity DataIC50: 25nMpH: 6.5 T: 2°CAssay Description:The 50% inhibitory concentration (IC50) determination was carried out by using a 96-well microtitre plate as an array of reaction vessels. In the fir...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VT1R04PubMed
TargetNon-structural protein 1(Influenza A virus (A/turkey/Italy/8000/2002(H7N3)))
Chulalongkorn University

LigandPNGBDBM5025(Oseltamivir | US10919856, POSITIVE CONTROL | ethyl...)copy SMILEScopy InChI
Affinity DataIC50: 0.200nMpH: 6.5 T: 2°CAssay Description:The 50% inhibitory concentration (IC50) determination was carried out by using a 96-well microtitre plate as an array of reaction vessels. In the fir...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VT1R04PubMed
TargetNeuraminidase(Influenza A virus (A/turkey/Italy/4426/2000(H7N1)))
Chulalongkorn University

LigandPNGBDBM5025(Oseltamivir | US10919856, POSITIVE CONTROL | ethyl...)copy SMILEScopy InChI
Affinity DataIC50: 23.7nMpH: 6.5Assay Description:Practically in a microtitre plate, 90 μl of 33 mM MES pH 6.5 containing 4 mM CaCl2 were dispensed in each well, except for the first well of eac...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VT1R04PubMed
TargetNon-structural protein 1(Influenza A virus (A/turkey/Italy/8000/2002(H7N3)))
Chulalongkorn University

LigandPNGBDBM5025(Oseltamivir | US10919856, POSITIVE CONTROL | ethyl...)copy SMILEScopy InChI
Affinity DataIC50: 0.120nMpH: 6.5Assay Description:Practically in a microtitre plate, 90 μl of 33 mM MES pH 6.5 containing 4 mM CaCl2 were dispensed in each well, except for the first well of eac...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VT1R04PubMed
TargetNeuraminidase(Influenza A virus)
Chulalongkorn University

Curated by ChEMBL
LigandPNGBDBM5025(Oseltamivir | US10919856, POSITIVE CONTROL | ethyl...)copy SMILEScopy InChI
Affinity DataIC50: 0.200nMAssay Description:Inhibition of Influenza A virus H7N3 N3 neuraminidase expressed in baculovirus using 2'-(4-Methylumbelliferyl)-alpha-D-acetyl neuraminic acid as subs...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KS6VDTPubMed
TargetNeuraminidase(Influenza A virus)
Chulalongkorn University

Curated by ChEMBL
LigandPNGBDBM5025(Oseltamivir | US10919856, POSITIVE CONTROL | ethyl...)copy SMILEScopy InChI
Affinity DataIC50: 25nMAssay Description:Inhibition of Influenza A virus H7N1 N1 neuraminidase expressed in baculovirus using 2'-(4-Methylumbelliferyl)-alpha-D-acetyl neuraminic acid as subs...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KS6VDTPubMed