BDBM50599324 WITHANONE::Withanone

SMILES [H][C@@]12O[C@]1([H])[C@@]1(O)CC=CC(=O)[C@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@]([H])(CC[C@]3(O)[C@H](C)[C@@]3([H])CC(C)=C(C)C(=O)O3)[C@]21[H]

InChI Key InChIKey=FAZIYUIDUNHZRG-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 = 50599324   

TargetReplicase polyprotein 1ab(2019-nCoV)
Shiv Nadar University

Curated by ChEMBL
LigandPNGBDBM50599324(WITHANONE | Withanone)
Affinity DataIC50: 1.80E+3nMAssay Description:Inhibition of recombinant SARS-COV2 main protease expressed in Escherichia coli Rosetta cells using DABCYL-KTSAVLQSGFRKME-EDANS as substrate pre-incu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed