BDBM645364 US20240016777, Table3.6::pinocembrin 7-O-(3$#8243;- galloyl-4$#8243;,6$#8243;-(S)- hexahydroxydiphenoyl)- beta-D-glucose (PGHG)

SMILES C[C@@H]1[C@@H](COC(=O)c2cc(O)c(O)c(O)c2-c2c(O)c(O)c(O)cc2C(O)=O)O[C@@H](Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c2ccccc2)[C@H](O)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1

InChI Key InChIKey=DNJKTNNXVGAYET-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 645364   

TargetReplicase polyprotein 1a(2019-nCoV)
Beth Israel Deaconess Medical Center

US Patent
LigandPNGBDBM645364(US20240016777, Table3.6 | pinocembrin 7-O-(3$#8243...)
Affinity DataIC50: 6.00E+3nMAssay Description:Assay details: A SARS-Cov-2 Mpro construct was prepared, which includes a His-tag and PreScission cleavage site (see FIG. 3A). The construct was tran...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/12/2024
Entry Details
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