BDBM5011 (3R,4R,5S)-3-[(2R)-butan-2-yloxy]-5-carbamimidamido-4-acetamidocyclohex-1-ene-1-carboxylic acid::(3R,4R,5S)-4-Acetamido-5-guanidinyl-3-(1(R)-methylpropoxy)-1-cyclohexene-1-carboxylic acid::Carbocyclic Analogue 61
SMILES: CC[C@@H](C)O[C@@H]1C=C(C[C@H](N=C(N)N)[C@H]1NC(C)=O)C(O)=O
InChI Key: InChIKey=BKSBSWKRQZCHQR-UYZPKGHCSA-N
Data: 1 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(...) | BDBM5011 ((3R,4R,5S)-3-[(2R)-butan-2-yloxy]-5-carbamimidamid...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
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... | J Med Chem 41: 2451-60 (1998) Article DOI: 10.1021/jm980162u BindingDB Entry DOI: 10.7270/Q2MP51GP | |||||||||||
More data for this Ligand-Target Pair |