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 11 hits for monomerid = 5025   

TargetNeuraminidase(Influenza A virus)
Shandong University

Curated by ChEMBL
LigandPNGBDBM5025(Oseltamivir | US10919856, POSITIVE CONTROL | ethyl...)copy SMILEScopy InChI
Affinity DataIC50: 17nMAssay Description:Inhibition of Influenza A virus A/chicken/china/1220/2012(H5N1) Neuraminidase N1More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2Z039QKPubMed
TargetNeuraminidase(Influenza A virus (strain A/USSR/90/1977 H1N1))
Shandong University

Curated by ChEMBL
LigandPNGBDBM5025(Oseltamivir | US10919856, POSITIVE CONTROL | ethyl...)copy SMILEScopy InChI
Affinity DataIC50: 13nMAssay Description:Inhibition of Influenza A virus A/duck/china/1206/2012(H5N1) NeuraminidaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2Z039QKPubMed
TargetNeuraminidase(Influenza A virus (strain A/USSR/90/1977 H1N1))
Shandong University

Curated by ChEMBL
LigandPNGBDBM5025(Oseltamivir | US10919856, POSITIVE CONTROL | ethyl...)copy SMILEScopy InChI
Affinity DataIC50: 9nMAssay Description:Inhibition of Influenza A virus A/duck/china/QJ/01(H5N1) NeuraminidaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2Z039QKPubMed
TargetNeuraminidase(Influenza A virus (strain A/USSR/90/1977 H1N1))
Shandong University

Curated by ChEMBL
LigandPNGBDBM5025(Oseltamivir | US10919856, POSITIVE CONTROL | ethyl...)copy SMILEScopy InChI
Affinity DataIC50: 3.10nMAssay Description:Inhibition of Influenza A virus A/chicken/shandong/S2/02(H9N2) NeuraminidaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2Z039QKPubMed
TargetNeuraminidase(Influenza A virus)
Shandong University

Curated by ChEMBL
LigandPNGBDBM5025(Oseltamivir | US10919856, POSITIVE CONTROL | ethyl...)copy SMILEScopy InChI
Affinity DataIC50: 1.06E+3nMAssay Description:Inhibition of Influenza A virus type A H3N2 neuraminidaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q29Z97PBPubMed
TargetNeuraminidase(Influenza A virus)
Shandong University

Curated by ChEMBL
LigandPNGBDBM5025(Oseltamivir | US10919856, POSITIVE CONTROL | ethyl...)copy SMILEScopy InChI
Affinity DataIC50: 1.06E+3nMAssay Description:Inhibition of Influenza A virus type A H3N2 neuraminidaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q29Z97PBPubMed
TargetNeuraminidase(Influenza A virus)
Shandong University

Curated by ChEMBL
LigandPNGBDBM5025(Oseltamivir | US10919856, POSITIVE CONTROL | ethyl...)copy SMILEScopy InChI
Affinity DataIC50: 1.70nMAssay Description:Inhibition of Influenza A virus (A/chicken/Sandong/Li/2008(H9N2)) neuraminidase N2 using 4-MU-NANA as substrate after 5 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2R78J49PubMed
TargetNeuraminidase(Influenza A virus)
Shandong University

Curated by ChEMBL
LigandPNGBDBM5025(Oseltamivir | US10919856, POSITIVE CONTROL | ethyl...)copy SMILEScopy InChI
Affinity DataIC50: 10nMAssay Description:Inhibition of Influenza A virus H1N1 A/duck/China/QJ/01 neuraminidase N1 using 4-MU-NANA as substrate after 5 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2R78J49PubMed
TargetNeuraminidase(Influenza A virus)
Shandong University

Curated by ChEMBL
LigandPNGBDBM5025(Oseltamivir | US10919856, POSITIVE CONTROL | ethyl...)copy SMILEScopy InChI
Affinity DataIC50: 20nMAssay Description:Inhibition of influenza A virus neuraminidase assessed as cleavage of MUNANA substrate by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2TQ64DMPubMed
TargetNeuraminidase(Influenza A virus)
Shandong University

Curated by ChEMBL
LigandPNGBDBM5025(Oseltamivir | US10919856, POSITIVE CONTROL | ethyl...)copy SMILEScopy InChI
Affinity DataIC50: 16nMAssay Description:Inhibition of influenza A virus A/duck/China/QJ/01(H5N1) neuraminidase using 4-MU-NANA as substrate incubated for 5 mins prior to substrate addition ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2445QFNPubMed
TargetNeuraminidase(Influenza A virus)
Shandong University

Curated by ChEMBL
LigandPNGBDBM5025(Oseltamivir | US10919856, POSITIVE CONTROL | ethyl...)copy SMILEScopy InChI
Affinity DataIC50: 2.80nMAssay Description:Inhibition of Influenza A virus (A/Chicken/Shandong/LY/08(H9N2)) neuraminidase using 4-MU-NANA as substrate incubated for 5 mins prior to substrate a...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2445QFNPubMed