BDBM554025 US11325916, Example 52

SMILES CN([C@@H](CC(C)(C)C)C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc21)C(=O)[C@H](Cc1ccc(F)cc1)N1CCOC1=O

InChI Key InChIKey=YZXPWDXIJRBEGO-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 = 554025   

TargetReplicase polyprotein 1a(2019-nCoV)
Enanta Pharmaceuticals

US Patent
LigandPNGBDBM554025(US11325916, Example 52)
Affinity DataIC50: 100nMAssay Description:Recombinant SARS-CoV-2 3CL-protease was expressed and purified. TAMIRA-SITSAVLQSGFRKMK-Dabcyl-OH peptide 3CLpro substrate was synthesized. Black, low...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2022
Entry Details
Go to US Patent