BDBM582689 US11524940, Compound 643

SMILES COc1cccc2[nH]c(cc12)C(=O)NC(CC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C#N

InChI Key InChIKey=VUYTWJHHVKQDTK-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 = 582689   

TargetReplicase polyprotein 1a(SARS-CoV)
Pardes Biosciences

US Patent
LigandPNGBDBM582689(US11524940, Compound 643)
Affinity DataIC50: 2.00E+3nMAssay Description:Compounds are assayed using standard methods to assess compound activity and IC50. As an exemplary for assessment of the SARS-COV2 Mpro, the C-His6-t...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/12/2023
Entry Details
US Patent