BDBM4966 (2R,3R,4S)-4-amino-3-acetamido-2-{[2-(3-hydroxyphenyl)ethyl](propyl)carbamoyl}-3,4-dihydro-2H-pyran-6-carboxylic acid::carboxamide deriv. 4ai
SMILES: [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCc1cccc(O)c1
InChI Key: InChIKey=UEWWTSZFOOGNQE-CGTJXYLNSA-N
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) | BDBM4966 ((2R,3R,4S)-4-amino-3-acetamido-2-{[2-(3-hydroxyphe...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.30E+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 A (Influenza A virus (A/Singapore/1/57(H2N2))) | BDBM4966 ((2R,3R,4S)-4-amino-3-acetamido-2-{[2-(3-hydroxyphe...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem 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 |