BDBM5225 (3R,4R,5S)-5-amino-4-acetamido-3-[methyl(propyl)amino]cyclohex-1-ene-1-carboxylic acid::C3-Aza Carbocyclic Analogue 3a
SMILES: CCCN(C)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O
InChI Key: InChIKey=NXAIKJLHJJDCAN-QJPTWQEYSA-N
Data: 3 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 A (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...) | BDBM5225 ((3R,4R,5S)-5-amino-4-acetamido-3-[methyl(propyl)am...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 65 | n/a | n/a | n/a | n/a | 6.5 | 37 |
Gilead Sciences Inc. | Assay Description A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura... | Bioorg Med Chem Lett 8: 3321-4 (1998) Article DOI: 10.1016/s0960-894x(98)00587-3 BindingDB Entry DOI: 10.7270/Q2B56GXM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sialidase (Clostridium perfringens) | BDBM5225 ((3R,4R,5S)-5-amino-4-acetamido-3-[methyl(propyl)am...) | UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology Curated by ChEMBL | Assay Description Inhibition of Clostridium perfringenes neuraminidase activity using 4-methylumbelliferyl-1-alpha-D-N-acetylneuramic acid sodium salt hydrate as subst... | Bioorg Med Chem Lett 27: 5429-5435 (2017) Article DOI: 10.1016/j.bmcl.2017.11.003 BindingDB Entry DOI: 10.7270/Q2QZ2DJP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuraminidase B (Influenza B virus (B/Lee/40)) | BDBM5225 ((3R,4R,5S)-5-amino-4-acetamido-3-[methyl(propyl)am...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 65 | n/a | n/a | n/a | n/a | 6.5 | 37 |
Gilead Sciences Inc. | Assay Description A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura... | Bioorg Med Chem Lett 8: 3321-4 (1998) Article DOI: 10.1016/s0960-894x(98)00587-3 BindingDB Entry DOI: 10.7270/Q2B56GXM | |||||||||||
More data for this Ligand-Target Pair |