BDBM420321 Penta-O-galloyl-beta-D-glucose hydrate

SMILES c1c(cc(c(c1O)O)O)C(=O)OC[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)OC(=O)c3cc(c(c(c3)O)O)O)OC(=O)c4cc(c(c(c4)O)O)O)OC(=O)c5cc(c(c(c5)O)O)O)OC(=O)c6cc(c(c(c6)O)O)O

InChI Key InChIKey=QJYNZEYHSMRWBK-UHFFFAOYSA-N

Data  1 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 420321   

TargetReplicase polyprotein 1ab(2019-nCoV)
National Institutes of Health

LigandPNGBDBM420321(Penta-O-galloyl-beta-D-glucose hydrate)
Affinity DataEC50:  1.26E+4nMAssay Description:SARS-CoV-2 CPE assay was conducted at Southern Research Institute (Birmingham, AL) as described in previous reports30, 31. In brief, high ACE2 expres...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/21/2020
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
National Institutes of Health

LigandPNGBDBM420321(Penta-O-galloyl-beta-D-glucose hydrate)
Affinity DataIC50: 2.78E+4nMAssay Description:The 3CLpro enzyme assay was developed in 384-well black, medium binding microplates (Greiner Bio-One, Monroe, NC, USA) with a total volume of 20 _...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/21/2020
Entry Details Article
PubMed