BDBM496863 SARS-CoV-2 PLpro Inhibitor, 93

SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CN[C@@H]2CC[C@@H](O)C2)s1

InChI Key InChIKey=IGVYCVBUHQMNRZ-OPJGWUQDSA-N

Data  2 IC50  1 Kd

  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 3 hits for monomerid = 496863   

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

LigandPNGBDBM496863(SARS-CoV-2 PLpro Inhibitor, 93)
Affinity DataIC50:  430nMAssay 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 sid
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Illinois At Chicago

LigandPNGBDBM496863(SARS-CoV-2 PLpro Inhibitor, 93)
Affinity DataIC50:  430nMAssay Description:Inhibition of SARS-CoV-2 PLproMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Illinois At Chicago

LigandPNGBDBM496863(SARS-CoV-2 PLpro Inhibitor, 93)
Affinity DataKd:  271nMAssay 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 sid
In DepthDetails ArticlePubMed