BDBM50343689 (3S,4R,5R)-4-acetamido-3-(4-((8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl)-1H-1,2,3-triazol-1-yl)-5-(pentan-3-yloxy)cyclohex-1-enecarboxylic acid::CHEMBL1773348

SMILES CCC(CC)O[C@@H]1CC(C(=O)O)=C[C@H](n2cc([C@]3(O)CC[C@H]4[C@@H]5CCc6cc(O)ccc6[C@H]5CC[C@@]43C)nn2)[C@H]1NC(C)=O

InChI Key InChIKey=KXJWRUZGKKGEGN-UHFFFAOYSA-N

Data  1 KI  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50343689   

TargetNeuraminidase(Influenza A virus)
Simon Fraser University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50343689BDBM50343689((3S,4R,5R)-4-acetamido-3-(4-((8R,9S,13S,14S,17S)-3...)
Affinity DataKi:  5.80E+3nMAssay Description:Inhibition of influenza A nuraminidase N1More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/28/2020
Entry Details Article
PubMed
TargetSialidase-3(Human)
University of Alberta

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50343689BDBM50343689((3S,4R,5R)-4-acetamido-3-(4-((8R,9S,13S,14S,17S)-3...)
Affinity DataIC50: 3.50E+5nMAssay Description:Inhibition of human NEU3 using 4MU-NA as substrate after 1 hr by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2011
Entry Details Article
PubMed
TargetSialidase-4(Human)
University of Alberta

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50343689BDBM50343689((3S,4R,5R)-4-acetamido-3-(4-((8R,9S,13S,14S,17S)-3...)
Affinity DataIC50: 8.00E+5nMAssay Description:Inhibition of human NEU4 using 4MU-NA as substrate after 1 hr by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2011
Entry Details Article
PubMed