BDBM50651879 CHEMBL5646514

SMILES COc1ccc(C(=C[C@@H]2COC[C@H]2S(=O)(=O)c2nnc(-c3ccc(Cl)cc3)o2)c2ccc(OC)cc2)cc1

InChI Key

  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 = 50651879   

TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50651879(CHEMBL5646514)
Affinity DataIC50: 980nMAssay Description:Inhibition of SARS-CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) Rosetta competent cells using DabcylKNSTLQSGLRKE-Edan as fluorescence ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed