BDBM50587668 Apigenin-7-Neohesperidoside::CHEBI:31227::RHOIFOLIN::Rhoifolin

SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(c3)oc(cc4=O)-c3ccc(O)cc3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

InChI Key InChIKey=RPMNUQRUHXIGHK-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 50587668   

TargetReplicase polyprotein 1ab(2019-nCoV)
University of California San Diego

Curated by ChEMBL
LigandPNGBDBM50587668(RHOIFOLIN | CHEBI:31227 | Apigenin-7-Neohesperidos...)
Affinity DataIC50: 2.70E+4nMAssay Description:Inhibition of SARS-CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) using DABCYLKTSAVLQSGFRKME-EDANS as substrate preincubated for 1 hr fo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed