BDBM50330326 (4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,2,3-trihydroxy-propyl)-5,6-dihydro-4H-pyran-2-carboxylic acid::(4S,5R,6R)-5-Acetylamino-4-guanidino-6-((R)-1,2,3-trihydroxy-propyl)-5,6-dihydro-4H-pyran-2-carboxylic acid::(4S,5R,6R)-5-Acetylamino-4-guanidino-6-(1,2,3-trihydroxy-propyl)-5,6-dihydro-4H-pyran-2-carboxylic acid::(4S,5R,6R)-5-acetamido-4-(diaminomethyleneamino)-6-((1R,2R)-1,2,3-trihydroxypropyl)-5,6-dihydro-4H-pyran-2-carboxylic acid::(4S,5R,6R)-5-acetylamino-4-guanidino-6-((1R,2R)-1,2,3-trihydroxy-propy)-5,6-dihydro-4H-pyran-2-carboxylic acid::(4S,5R,6R)-5-acetylamino-4-guanidino-6-((1R,2R)-1,2,3-trihydroxy-propyl)-5,6-dihydro-4H-pyran-2-carboxylic acid::4-diaminomethylamino-3-methylcarboxamido-2-(1,2,3-trihydroxypropyl)-(3R)-3,4-dihydro-2H-6-pyrancarboxylic acid(Zanamivir)::5-Acetylamino-4-guanidino-6-(1,2,3-trihydroxy-propyl)-5,6-dihydro-4H-pyran-2-carboxylic acid::5-Acetylamino-4-guanidino-6-(1,2,3-trihydroxy-propyl)-5,6-dihydro-4H-pyran-2-carboxylic acid(zanamivir)::5-Formylamino-4-guanidino-6-(1,2,3-trihydroxy-propyl)-5,6-dihydro-4H-pyran-2-carboxylic acid::CHEMBL222813::GR-121167X::Relenza::Zanamivi

SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7]

InChI Key InChIKey=ARAIBEBZBOPLMB-UFGQHTETSA-N

Data  13 KI  195 IC50

PDB links: 27 PDB IDs match 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 = 50330326   

TargetSialidase-2(Homo sapiens (Human))
University Of Alberta

Curated by ChEMBL
LigandPNGBDBM50330326((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...)
Affinity DataKi:  5.70E+3nMAssay Description:Inhibition of human N-terminal MBP-fused NEU2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...More data for this Ligand-Target Pair
TargetSialidase-2(Homo sapiens (Human))
University Of Alberta

Curated by ChEMBL
LigandPNGBDBM50330326((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...)
Affinity DataKi:  5.70E+3nMAssay Description:Inhibition of MBP-fused recombinant human neuraminidase 2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed...More data for this Ligand-Target Pair
TargetSialidase-2(Homo sapiens (Human))
University Of Alberta

Curated by ChEMBL
LigandPNGBDBM50330326((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...)
Affinity DataKi:  1.70E+4nMAssay Description:Inhibition of human neuraminidase 2More data for this Ligand-Target Pair
TargetSialidase-2(Homo sapiens (Human))
University Of Alberta

Curated by ChEMBL
LigandPNGBDBM50330326((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...)
Affinity DataIC50:  1.53E+4nMAssay Description:Inhibition of human Neu2 expressed in HEK293T cells using 4MU-Neu5Ac as substrate incubated for 30 mins by HPLC analysisMore data for this Ligand-Target Pair
TargetSialidase-2(Homo sapiens (Human))
University Of Alberta

Curated by ChEMBL
LigandPNGBDBM50330326((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...)
Affinity DataIC50:  1.60E+4nMAssay Description:Inhibition of human NEU2 using 4MU-NeuAc as substrate after 15 to 30 mins by fluorimetric analysisMore data for this Ligand-Target Pair
TargetSialidase-2(Homo sapiens (Human))
University Of Alberta

Curated by ChEMBL
LigandPNGBDBM50330326((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...)
Affinity DataIC50:  1.64E+4nMAssay Description:Inhibition of human NEU2 expressed in HEK293 cells by fluorometric high-performance liquid chromatography using 4MU-NeuAc substrateMore data for this Ligand-Target Pair
TargetSialidase-2(Homo sapiens (Human))
University Of Alberta

Curated by ChEMBL
LigandPNGBDBM50330326((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...)
Affinity DataIC50:  7.80E+3nMAssay Description:Inhibition of human N-terminal MBP-fused NEU2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...More data for this Ligand-Target Pair
TargetSialidase-2(Homo sapiens (Human))
University Of Alberta

Curated by ChEMBL
LigandPNGBDBM50330326((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...)
Affinity DataIC50:  7.80E+3nMAssay Description:Inhibition of MBP-fused recombinant human neuraminidase 2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed...More data for this Ligand-Target Pair
TargetSialidase-2(Homo sapiens (Human))
University Of Alberta

Curated by ChEMBL
LigandPNGBDBM50330326((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...)
Affinity DataIC50:  5.30E+3nMAssay Description:Inhibition of NEU2 (unknown origin) using Neu5Acalpha2-3GalbetapNP as substrate incubated for 30 minsMore data for this Ligand-Target Pair
TargetSialidase-2(Homo sapiens (Human))
University Of Alberta

Curated by ChEMBL
LigandPNGBDBM50330326((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...)
Affinity DataIC50:  3.90E+3nMAssay Description:Inhibition of NEU2 (unknown origin) using Neu5Acalpha2-6GalbetapNP as substrate incubated for 30 minsMore data for this Ligand-Target Pair
TargetSialidase-2(Homo sapiens (Human))
University Of Alberta

Curated by ChEMBL
LigandPNGBDBM50330326((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...)
Affinity DataIC50:  7.80E+3nMAssay Description:Inhibition of human NEU2More data for this Ligand-Target Pair