BDBM50655690 CHEMBL6150203

SMILES CN(C(=O)[C@@H](NC(=O)C(C)(C)F)C1CC1)[C@@H](COCc1ccccc1)C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc12

InChI Key InChIKey=XTLWGNKIVXRRRF-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 = 50655690   

TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50655690BDBM50655690(CHEMBL6150203)
Affinity DataIC50: 53nMAssay Description:Inhibition of 6His-tagged SARS-CoV-2 3CLpro using Dabcyl-KNSTLQSGLRKE-Edans as substrate preincubated for 60 mins followed by substrate addition by F...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/4/2026
Entry Details
PubMed