BDBM476982 Inhibitor 5 of SARS-CoV-2 Mpro::US20240092759, Compound 24

SMILES CCCOc1cc(cc(c1)Cl)C2=CC(=CN(C2=O)c3cccnc3)C4=CNC(=O)NC4=O

InChI Key InChIKey=GJCBTWHGKCNYAB-UHFFFAOYSA-N

Data  4 IC50

PDB links: 1 PDB ID matches this monomer.

  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 = 476982   

TargetReplicase polyprotein 1ab(2019-nCoV)
Yale University

LigandPNGBDBM476982(Inhibitor 5 of SARS-CoV-2 Mpro | US20240092759, Co...)
Affinity DataIC50: 120nMAssay Description:Purified protein is diluted in reaction buffer to 100 nM in an opaque 96-well plate. The protein is incubated with or without compound in DMSO at dif...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/10/2021
Entry Details Article
PubMed
TargetReplicase polyprotein 1a(2019-nCoV)
Yale University

US Patent
LigandPNGBDBM476982(Inhibitor 5 of SARS-CoV-2 Mpro | US20240092759, Co...)
Affinity DataIC50: 120nMAssay Description:Inhibition of proteolytic activity was tested using recombinant SARS-Cov-2 Mpro, as described herein in the Experimental section. For the kinetic ass...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2024
Entry Details
Go to US Patent

TargetReplicase polyprotein 1a(2019-nCoV)
Yale University

US Patent
LigandPNGBDBM476982(Inhibitor 5 of SARS-CoV-2 Mpro | US20240092759, Co...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of proteolytic activity was tested using recombinant SARS-Cov-2 Mpro, as described herein in the Experimental section. For the kinetic ass...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2024
Entry Details
Go to US Patent

TargetReplicase polyprotein 1a(2019-nCoV)
Yale University

US Patent
LigandPNGBDBM476982(Inhibitor 5 of SARS-CoV-2 Mpro | US20240092759, Co...)
Affinity DataIC50: 120nMAssay Description:Inhibition of proteolytic activity was tested using recombinant SARS-Cov-2 Mpro, as described herein in the Experimental section. For the kinetic ass...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2024
Entry Details
Go to US Patent