BDBM50655680 CHEMBL6165794

SMILES CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CC1)[C@@H](CSCc1ccccc1)C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc12

InChI Key InChIKey=JVBFKVSPVBUPBJ-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 = 50655680   

TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50655680BDBM50655680(CHEMBL6165794)
Affinity DataIC50: 38nMAssay Description:Inhibition of 6His-tagged SARS-CoV-2 3CLpro using Dabcyl-KNSTLQSGLRKE-Edans as substrate preincubated for 60 mins followed by substrate addition by F...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/4/2026
Entry Details
PubMed