BDBM496267 SARS-CoV-2 PLpro Inhibitor, 101::US20240166598, Example 1

SMILES C[C@@H](NC(=O)c1cc(NC2CN(C2)C(=O)OC(C)(C)C)ccc1C)c1cccc2ccccc12

InChI Key InChIKey=NFKXOSXCNPUIGM-UHFFFAOYSA-N

Data  2 IC50  2 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 4 hits for monomerid = 496267   

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

LigandPNGBDBM496267(SARS-CoV-2 PLpro Inhibitor, 101 | US20240166598, E...)
Affinity DataIC50: 6.08E+3nMAssay 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
In Depth
Date in BDB:
11/5/2021
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Illinois At Chicago

LigandPNGBDBM496267(SARS-CoV-2 PLpro Inhibitor, 101 | US20240166598, E...)
Affinity DataKd:  1.60E+4nMAssay 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
In Depth
Date in BDB:
11/5/2021
Entry Details Article
PubMed
TargetReplicase polyprotein 1a(2019-nCoV)
University of Arizona

US Patent
LigandPNGBDBM496267(SARS-CoV-2 PLpro Inhibitor, 101 | US20240166598, E...)
Affinity DataIC50: 6.10E+3nMAssay Description:The PLpro primary assay using PLpro as prepared above was conducted as described below and provided the data described in Table 7 in the column: Enzy...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2024
Entry Details
Go to US Patent

TargetReplicase polyprotein 1a(2019-nCoV)
University of Arizona

US Patent
LigandPNGBDBM496267(SARS-CoV-2 PLpro Inhibitor, 101 | US20240166598, E...)
Affinity DataKd:  1.60E+4nMAssay Description:The PLpro primary assay using PLpro as prepared above was conducted as described below and provided the data described in Table 7 in the column: Enzy...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2024
Entry Details
Go to US Patent