BDBM476999 Inhibitor 19 of SARS-CoV-2 Mpro

SMILES CN1C=C(C(=O)NC1=O)C2=CN(C(=O)C(=C2)c3cc(c(c(c3)Cl)F)OCc4ccccc4Cl)c5cccnc5

InChI Key InChIKey=KIJKUSPNZALBLD-UHFFFAOYSA-N

Data  2 IC50  2 EC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 476999   

TargetReplicase polyprotein 1ab(2019-nCoV)
Yale University

LigandPNGBDBM476999(Inhibitor 19 of SARS-CoV-2 Mpro)
Affinity DataIC50: 44nMAssay 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

LigandPNGBDBM476999(Inhibitor 19 of SARS-CoV-2 Mpro)
Affinity DataEC50:  175nMAssay 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

LigandPNGBDBM476999(Inhibitor 19 of SARS-CoV-2 Mpro)
Affinity DataEC50:  80nMAssay 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 1ab(2019-nCoV)
Yale University

LigandPNGBDBM476999(Inhibitor 19 of SARS-CoV-2 Mpro)
Affinity DataIC50: 44nMAssay Description:Inhibition of SARS-CoV-2 main protease expressed in Escherichia coli using [NH2-C(EDANS)VNSTQSGLRK(DABCYL)M-COOH] FRET peptide as substrate pre-incub...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed