BDBM496855 SARS-CoV-2 PLpro Inhibitor, 85::US20240166598, Compound XR8-61

SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(Br)c1

InChI Key InChIKey=SBGJRMAXRXCIOF-UHFFFAOYSA-N

Data  3 IC50  3 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 6 hits for monomerid = 496855   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 496855BDBM496855(SARS-CoV-2 PLpro Inhibitor, 85 | US20240166598, Co...)
Affinity DataKd:  3.13E+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
US Patent

TargetReplicase polyprotein 1a [1564-1878](Severe acute respiratory syndrome coronavirus (SAR...)
University of Arizona

US Patent
LigandChemical structure of BindingDB Monomer ID 496855BDBM496855(SARS-CoV-2 PLpro Inhibitor, 85 | US20240166598, Co...)
Affinity DataKd:  3.13E+3nMAssay Description:The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 pg/mL with 10 mM sodium acetate (pH 5.5) and immo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2024
Entry Details
US Patent

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

LigandChemical structure of BindingDB Monomer ID 496855BDBM496855(SARS-CoV-2 PLpro Inhibitor, 85 | US20240166598, Co...)
Affinity DataKd:  3.28E+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
In Depth
Date in BDB:
11/5/2021
Entry Details Article
PubMed
TargetReplicase polyprotein 1a(2019-nCoV)
University of Arizona

US Patent
LigandChemical structure of BindingDB Monomer ID 496855BDBM496855(SARS-CoV-2 PLpro Inhibitor, 85 | US20240166598, Co...)
Affinity DataIC50: 6.46E+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
US Patent

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

LigandChemical structure of BindingDB Monomer ID 496855BDBM496855(SARS-CoV-2 PLpro Inhibitor, 85 | US20240166598, Co...)
Affinity DataIC50: 6.50E+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 1a [1564-1878](Severe acute respiratory syndrome coronavirus (SAR...)
University of Arizona

US Patent
LigandChemical structure of BindingDB Monomer ID 496855BDBM496855(SARS-CoV-2 PLpro Inhibitor, 85 | US20240166598, Co...)
Affinity DataIC50: 6.50E+3nMAssay Description:The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 pg/mL with 10 mM sodium acetate (pH 5.5) and immo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2024
Entry Details
US Patent