BDBM50656581 CHEMBL6133520

SMILES CCn1ccc(-c2cc(-c3cnn(CCOC)c3)cc([C@@H](C)NC(=O)c3cc(OCCN(C)C)ccc3C)c2)n1

InChI Key InChIKey=CVYNSTUALRIRLA-UHFFFAOYSA-N

Data  1 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50656581   

TargetReplicase polyprotein 1ab(2019-nCoV)
Comenius University Bratislava

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50656581BDBM50656581(CHEMBL6133520)
Affinity DataKi:  30nMAssay Description:Binding affinity to SARS-CoV-2 Main protease assessed as inhibition constant by SPR analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/4/2026
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Comenius University Bratislava

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50656581BDBM50656581(CHEMBL6133520)
Affinity DataIC50: 160nMAssay Description:Inhibition of SARS-CoV-2 papain-like protease (PLpro) by enzymatic assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/4/2026
Entry Details
PubMed