BDBM476978 Inhibitor 3 of SARS-CoV-2 Mpro::US20240092759, Compound 39

SMILES c1ccc(c(c1)C#N)C2=CN(C(=O)C(=C2)c3cc(cc(c3)Cl)OCC4CC4)c5cccnc5

InChI Key InChIKey=UIXRRGFIAVPQEF-UHFFFAOYSA-N

Data  2 IC50  2 EC50

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 = 476978   

TargetReplicase polyprotein 1ab(2019-nCoV)
Yale University

LigandPNGBDBM476978(Inhibitor 3 of SARS-CoV-2 Mpro | US20240092759, Co...)
Affinity DataIC50: 170nMAssay 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 1ab(2019-nCoV)
Yale University

LigandPNGBDBM476978(Inhibitor 3 of SARS-CoV-2 Mpro | US20240092759, Co...)
Affinity DataEC50:  1.76E+3nMAssay Description:These include a rapid screening replicon assay using baby hamster kidney (BHK) cells with noninfectious SARS-CoV-2, in which the spike protein in the...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/10/2021
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Yale University

LigandPNGBDBM476978(Inhibitor 3 of SARS-CoV-2 Mpro | US20240092759, Co...)
Affinity DataEC50:  980nMAssay Description:These assays are from various references.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
LigandPNGBDBM476978(Inhibitor 3 of SARS-CoV-2 Mpro | US20240092759, Co...)
Affinity DataIC50: 170nMAssay 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