BDBM50165356 (2R,4S)-4-carbamimidamido-2-[(1R)-1-({[12-({[(1R)-1-[(2R,4S)-6-carboxy-4-[(diaminomethylidene)amino]-3-acetamido-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonyl}amino)dodecyl]carbamoyl}oxy)-2,3-dihydroxypropyl]-3-acetamido-3,4-dihydro-2H-pyran-6-carboxylic acid::CHEMBL364315

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

InChI Key InChIKey=ZQXFRHHUBDUMBF-UHFFFAOYSA-N

Data  3 IC50

  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 3 hits for monomerid = 50165356   

TargetNeuraminidase(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)
Glaxosmithkline

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50165356BDBM50165356((2R,4S)-4-carbamimidamido-2-[(1R)-1-({[12-({[(1R)-...)
Affinity DataIC50: 7.86nMAssay Description:Inhibitory concentration against neuraminidase of influenza A/Mem/Bel/71 (H3N1) virus starin; (n=5)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetNeuraminidase(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)
Glaxosmithkline

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50165356BDBM50165356((2R,4S)-4-carbamimidamido-2-[(1R)-1-({[12-({[(1R)-...)
Affinity DataIC50: 21.7nMAssay Description:Inhibitory concentration against neuraminidase of influenza A/PR/8/34 (H1N1) virus starin; (n=5)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetNeuraminidase(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)
Glaxosmithkline

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50165356BDBM50165356((2R,4S)-4-carbamimidamido-2-[(1R)-1-({[12-({[(1R)-...)
Affinity DataIC50: 61nMAssay Description:Inhibitory concentration against neuraminidase of influenza A/Chicken/Vietnam/8/2004(H5N1) virus starin; (n=5)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed