BDBM676158 US20240166598, Compound XR8-35::US20240166598, Compound XR8-38::US20240166598, Example 76

SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(s1)C(=O)NCC1CCCO1

InChI Key InChIKey=YFWLLGQLHRRXPD-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 = 676158   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 676158BDBM676158(US20240166598, Example 76 | US20240166598, Compoun...)
Affinity DataKd:  740nMAssay 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 676158BDBM676158(US20240166598, Example 76 | US20240166598, Compoun...)
Affinity DataKd:  741nMAssay 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 1a(2019-nCoV)
University of Arizona

US Patent
LigandChemical structure of BindingDB Monomer ID 676158BDBM676158(US20240166598, Example 76 | US20240166598, Compoun...)
Affinity DataIC50: 760nMAssay 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 676158BDBM676158(US20240166598, Example 76 | US20240166598, Compoun...)
Affinity DataIC50: 760nMAssay 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 1a [1564-1878](Severe acute respiratory syndrome coronavirus (SAR...)
University of Arizona

US Patent
LigandChemical structure of BindingDB Monomer ID 676158BDBM676158(US20240166598, Example 76 | US20240166598, Compoun...)
Affinity DataIC50: 920nMAssay 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 1a [1564-1878](Severe acute respiratory syndrome coronavirus (SAR...)
University of Arizona

US Patent
LigandChemical structure of BindingDB Monomer ID 676158BDBM676158(US20240166598, Example 76 | US20240166598, Compoun...)
Affinity DataKd:  1.79E+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