BDBM50598133 CHEMBL5201129

SMILES COc1cc(CNC(=O)C2CCN(CC2)C(C)c2cccc3ccccc23)ccn1

InChI Key InChIKey=MMIABLSMKGWQKD-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 50598133   

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

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50598133BDBM50598133(CHEMBL5201129)
Affinity DataIC50: 790nMAssay Description:Inhibition of N-terminal 6-His-tagged SARS-CoV-2 PLpro BetaCoV/Wuhan/WIV04/2019 (1524 to 1883 residues) extracted from Escherichia coli BL21 (DE3) ce...More data for this Ligand-Target Pair
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 50598133BDBM50598133(CHEMBL5201129)
Affinity DataIC50: 810nMAssay Description:Inhibition of SARS-CoV-2 PLpro extracted from Escherichia coli BL21 (DE3) cells by Fluorescence based analysisMore data for this Ligand-Target Pair
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 50598133BDBM50598133(CHEMBL5201129)
Affinity DataIC50: 810nMAssay Description:Inhibition of SARS-CoV-2 papain-like protease (1563 to 1878 residues) expressed in Escherichia coli Rosetta (DE3) using Ub-Rhodamine110Gly as substra...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Comenius University Bratislava

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50598133BDBM50598133(CHEMBL5201129)
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of SARS-CoV-2 wild type PLpro (1563 to 1878 residues) extracted from Escherichia coli Rosetta 2 (DE3) cells by Fluorescence polarization a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2026
Entry Details
PubMed