BDBM50646783 CHEMBL5594543

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

InChI Key InChIKey=ZOMNORZQANASQP-UHFFFAOYSA-N

Data  1 KI  3 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50646783   

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

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50646783BDBM50646783(CHEMBL5594543)
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 50646783BDBM50646783(CHEMBL5594543)
Affinity DataIC50: 100nMAssay 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
TargetReplicase polyprotein 1ab(2019-nCoV)
Comenius University Bratislava

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50646783BDBM50646783(CHEMBL5594543)
Affinity DataIC50: 110nMAssay Description:Inhibition of SARS-CoV-2 PL protease using Dabcyl-FTLRGG/APTKV-Edans as substrate preincubated for 30 mins followed by substrate addition measured fo...More 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 50646783BDBM50646783(CHEMBL5594543)
Affinity DataIC50: 110nMAssay Description:Inhibition of SARS-CoV2 PLproMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed