BDBM4941 (2R,3R,4S)-4-amino-3-acetamido-2-[ethyl(propyl)carbamoyl]-3,4-dihydro-2H-pyran-6-carboxylic acid::carboxamide deriv. 4m
SMILES: [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CC)CCC
InChI Key: InChIKey=IWSDOYGCCUCLPE-MVWJERBFSA-N
Data: 4 IC50
PDB links: 1 PDB ID contains this monomer as substructures. 2 PDB IDs contain inhibitors having a similarity of 90% to this monomer.
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 A (Influenza A virus (A/Singapore/1/57(H2N2))) | BDBM4941 ((2R,3R,4S)-4-amino-3-acetamido-2-[ethyl(propyl)car...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research and Development Limited | Assay Description A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura... | J Med Chem 41: 787-97 (1998) Article DOI: 10.1021/jm970374b BindingDB Entry DOI: 10.7270/Q2RF5S7G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuraminidase B (Influenza B virus (B/Lee/40)) | BDBM4941 ((2R,3R,4S)-4-amino-3-acetamido-2-[ethyl(propyl)car...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article | n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of influenza B sialidase (neuraminidase) | Bioorg Med Chem Lett 6: 2931-2936 (1996) Article DOI: 10.1016/S0960-894X(96)00542-2 BindingDB Entry DOI: 10.7270/Q24B31TM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuraminidase A (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...) | BDBM4941 ((2R,3R,4S)-4-amino-3-acetamido-2-[ethyl(propyl)car...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of influenza A sialidase (neuraminidase) | Bioorg Med Chem Lett 6: 2931-2936 (1996) Article DOI: 10.1016/S0960-894X(96)00542-2 BindingDB Entry DOI: 10.7270/Q24B31TM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuraminidase B (Influenza B virus) | BDBM4941 ((2R,3R,4S)-4-amino-3-acetamido-2-[ethyl(propyl)car...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research and Development Limited | Assay Description A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura... | J Med Chem 41: 787-97 (1998) Article DOI: 10.1021/jm970374b BindingDB Entry DOI: 10.7270/Q2RF5S7G | |||||||||||
More data for this Ligand-Target Pair |