BDBM50663891 CHEMBL6165991

SMILES CO[C@@H]1C[C@H](O[C@H]2C[C@](C)(CO)[C@@H]3CC[C@@]4(C)[C@@H]5CC[C@@H]6[C@H](CC(=O)[C@]7(C)C8=COC(N[C@H](C)C(C)C)=N[C@]8(C)[C@@H](O)[C@@H]8O[C@@]687)[C@@]5(C)CC[C@@H]4[C@@]3(C)[C@@H]2O)O[C@H](C)[C@H]1O

InChI Key InChIKey=NWFBSKMPTYKHMN-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50663891   

TargetReplicase polyprotein 1ab(HCoV-229E)
Jilin University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50663891BDBM50663891(CHEMBL6165991)
Affinity DataIC50: 6.60nMAssay Description:Inhibition of HCov-229E 3CLpro by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Jilin University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50663891BDBM50663891(CHEMBL6165991)
Affinity DataIC50: 74nMAssay Description:Inhibition of SARS-CoV-2 3CLProMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed