BDBM50097648 (4S,5R,6R)-4-Amino-6-(phenethyl-propyl-carbamoyl)-5-propionylamino-5,6-dihydro-4H-pyran-2-carboxylic acid::CHEMBL349042
SMILES: CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(=O)CC)C(O)=O
InChI Key: InChIKey=QONGHRWGVXIVSE-KFKAGJAMSA-N
Data: 2 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Neuraminidase B (Influenza B virus (B/Lee/40)) | BDBM50097648 ((4S,5R,6R)-4-Amino-6-(phenethyl-propyl-carbamoyl)-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL | Assay Description Inhibitory activity against influenza B sialidase (Victoria) | Bioorg Med Chem Lett 11: 669-73 (2001) BindingDB Entry DOI: 10.7270/Q26M37CN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuraminidase A (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...) | BDBM50097648 ((4S,5R,6R)-4-Amino-6-(phenethyl-propyl-carbamoyl)-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL | Assay Description Inhibitory activity against influenza A sialidase (Aichi) | Bioorg Med Chem Lett 11: 669-73 (2001) BindingDB Entry DOI: 10.7270/Q26M37CN | |||||||||||
More data for this Ligand-Target Pair |