BDBM50605810 CHEMBL5179718

SMILES [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)COc1ccccc1)C(=O)OCc1ccccc1

InChI Key InChIKey=ZEIZHTBOTDUSJX-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 = 50605810   

TargetReplicase polyprotein 1ab(2019-nCoV)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50605810(CHEMBL5179718)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of recombinant SARS-CoV-2 Main protease using ALNDFSNSGSDVLYQPPQTSITSAVLQ/SGFRKMAFPS-NH2 as substrate preincubated for 45 to 75 mins follo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed