BDBM555216 US11339170, Example 37

SMILES CN([C@@H](CC(C)(C)C)C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc21)C(=O)C(=O)Nc1ccc2ncccc2c1

InChI Key InChIKey=VBUZPZZQXLVWQO-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 = 555216   

TargetReplicase polyprotein 1ab(2019-nCoV)
Enanta Pharmaceuticals

US Patent
LigandPNGBDBM555216(US11339170, Example 37)
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-SITSAVLQSGFRKMIK-D...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/29/2022
Entry Details
Go to US Patent