BDBM557670 US11358953, Example 7

SMILES COc1cccc2[nH]c(cc12)C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C#N

InChI Key InChIKey=MSHKUXHDVFVVDI-UHFFFAOYSA-N

Data  1 IC50

  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 1 hit for monomerid = 557670   

TargetReplicase polyprotein 1a(2019-nCoV)
Enanta Pharmaceuticals

US Patent
LigandPNGBDBM557670(US11358953, Example 7)
Affinity DataIC50: 100nMAssay Description:SARS-CoV-2 3C-like (3CL) protease fluorescence assay (FRET): Recombinant SARS-CoV-2 3CL-protease was expressed and purified. TAMRA-SITSAVLQSGFRKMK-Da...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/19/2022
Entry Details
Go to US Patent