BDBM50655677 CHEMBL6169342

SMILES CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N1C[C@]3(CC1C#N)C(=O)Nc1ccccc13)C2(C)C

InChI Key InChIKey=DGUMLLVQDSVGSC-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 = 50655677   

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

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50655677BDBM50655677(CHEMBL6169342)
Affinity DataIC50: 248nMAssay 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