BDBM50637242 CHEMBL5542416

SMILES COc1ccc(/C=C(\C#N)C(=O)N(c2ccc(-c3ccccc3)cc2)[C@@H](C(=O)N[C@@H](C)c2ccccc2)c2cccnc2)cc1

InChI Key

  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 3 hits for monomerid = 50637242   

TargetReplicase polyprotein 1ab(2019-nCoV)
The State University of New Jersey

Curated by ChEMBL
LigandPNGBDBM50637242(CHEMBL5542416)
Affinity DataIC50: 560nMAssay Description:Inhibition of MPro of SARS CoV-2 BetaCoV/Wuhan/WIV04/2019 preincubated for 30 mins followed by substrate addition measured for 1 hr by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
The State University of New Jersey

Curated by ChEMBL
LigandPNGBDBM50637242(CHEMBL5542416)
Affinity DataIC50: 560nMAssay Description:Inhibition of SARS-CoV-2 3CLp using fluorescent substrate by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
The State University of New Jersey

Curated by ChEMBL
LigandPNGBDBM50637242(CHEMBL5542416)
Affinity DataKi:  573nMAssay Description:Inhibition of MPro of SARS CoV-2 BetaCoV/Wuhan/WIV04/2019 incubated for for 2 hrs in presence of substrate by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed