BDBM476978 Inhibitor 3 of SARS-CoV-2 Mpro

SMILES Clc1cc(OCC2CC2)cc(c1)-c1cc(cn(-c2cccnc2)c1=O)-c1ccccc1C#N

InChI Key InChIKey=UIXRRGFIAVPQEF-UHFFFAOYSA-N

Data  1 IC50  2 EC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 476978   

TargetReplicase polyprotein 1ab(2019-nCoV)
Yale University

LigandPNGBDBM476978(Inhibitor 3 of SARS-CoV-2 Mpro)
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
Ligand InfoPC cidPC sidPDB
TargetReplicase polyprotein 1ab(2019-nCoV)
Yale University

LigandPNGBDBM476978(Inhibitor 3 of SARS-CoV-2 Mpro)
Affinity DataEC50:  980nMAssay Description:These assays are from various references.More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetReplicase polyprotein 1ab(2019-nCoV)
Yale University

LigandPNGBDBM476978(Inhibitor 3 of SARS-CoV-2 Mpro)
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
Ligand InfoPC cidPC sidPDB