BDBM50343687 (3S,4R,5R)-4-Acetamido-5-(1-ethylpropoxy)-3-[4-(1-hydroxycyclohexyl)[1,2,3]triazol-1-yl]cyclohex-1-ene-1-carboxylic Acid::(3S,4R,5R)-4-acetamido-3-(4-(1-hydroxycyclohexyl)-1H-1,2,3-triazol-1-yl)-5-(pentan-3-yloxy)cyclohex-1-enecarboxylic acid::CHEMBL1270233
SMILES: CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(C)=O)n1cc(nn1)C1(O)CCCCC1)C(O)=O
InChI Key: InChIKey=XHTKXCNFHWZERT-NLWGTHIKSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sialidase 3 (Homo sapiens (Human)) | BDBM50343687 ((3S,4R,5R)-4-Acetamido-5-(1-ethylpropoxy)-3-[4-(1-...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta Curated by ChEMBL | Assay Description Inhibition of human NEU3 using 4MU-NA as substrate after 1 hr by fluorescence assay | Bioorg Med Chem 19: 2817-22 (2011) Article DOI: 10.1016/j.bmc.2011.03.039 BindingDB Entry DOI: 10.7270/Q2Z31ZZV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuraminidase (Influenza A virus) | BDBM50343687 ((3S,4R,5R)-4-Acetamido-5-(1-ethylpropoxy)-3-[4-(1-...) | PDB MMDB B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Simon Fraser University Curated by ChEMBL | Assay Description Inhibition of influenza A nuraminidase N1 | J Med Chem 53: 7377-91 (2010) Article DOI: 10.1021/jm100822f BindingDB Entry DOI: 10.7270/Q2S75K5B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sialidase 4 (Homo sapiens (Human)) | BDBM50343687 ((3S,4R,5R)-4-Acetamido-5-(1-ethylpropoxy)-3-[4-(1-...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta Curated by ChEMBL | Assay Description Inhibition of human NEU4 using 4MU-NA as substrate after 1 hr by fluorescence assay | Bioorg Med Chem 19: 2817-22 (2011) Article DOI: 10.1016/j.bmc.2011.03.039 BindingDB Entry DOI: 10.7270/Q2Z31ZZV | |||||||||||
More data for this Ligand-Target Pair |