BDBM513873 bioRxiv20220126.477782, Screening Hit 2
SMILES CNC(=O)Cn1c(=O)[nH]\c(=N/c2cc3cn(C)nc3cc2Cl)n(Cc2cc(F)c(F)c(F)c2)c1=O
InChI Key InChIKey=XAGVUVLRKSMPAA-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 3 hits for monomerid = 513873
Affinity DataIC50: 96nMAssay Description:The 3CL protease inhibition assay was conducted in 384-well plates (Corning 3702). The substance solution (10 mM dimethyl sulfoxide [DMSO] solution) ...More data for this Ligand-Target Pair
Affinity DataIC50: 96nMAssay Description:Inhibition of N-terminal 10-His-tagged SARS-CoV-2 3CL protease (1 to 306 residues) expressed in Escherichia coli BL21(DE3) using Dabcyl-KTSAVLQSGFRKM...More data for this Ligand-Target Pair
Affinity DataEC50: 1.25E+4nMAssay Description:Antiviral activity against SARS-CoV-2, SARS-CoV, MERS-CoV and HCoV-229E was assessed by monitoring cell viability; that against HCoV-OC43 was assesse...More data for this Ligand-Target Pair