BDBM50646777 CHEMBL5595707

SMILES Cn1ncc2c(Nc3ccccc3Cl)ncnc21

InChI Key

PDB links: 1 PDB ID matches this monomer.

  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 1 hit for monomerid = 50646777   

TargetReplicase polyprotein 1ab(2019-nCoV)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50646777(CHEMBL5595707)
Affinity DataKd:  4.50E+5nMAssay Description:Binding affinity to SARS-CoV2 PLpro (71 to 314 residues) expressed in Escherichia coli BL21(DE3) by SOFAST-HMQC titration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed