BDBM496856 SARS-CoV-2 PLpro Inhibitor, 86

SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CN[C@@H]2CCOC2)s1

InChI Key InChIKey=JZRRCGQQCZGHEA-AUSIDOKSSA-N

Data  2 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 496856   

TargetReplicase polyprotein 1ab(2019-nCoV)
University of Illinois At Chicago

LigandPNGBDBM496856(SARS-CoV-2 PLpro Inhibitor, 86)
Affinity DataIC50:  330nMAssay Description:The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Illinois At Chicago

LigandPNGBDBM496856(SARS-CoV-2 PLpro Inhibitor, 86)
Affinity DataKd:  1.05E+3nMAssay Description:The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB