BDBM50635430 CHEMBL5559272

SMILES CC(c1nc(-c2cc(NCc3ccc(C(=O)O)s3)cc(C(F)(F)F)c2)no1)c1cccc2ccccc12

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 2 hits for monomerid = 50635430   

TargetReplicase polyprotein 1ab(2019-nCoV)
Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50635430(CHEMBL5559272)
Affinity DataIC50: 100nMAssay Description:Inhibition of SARS-CoV2 PLpro using Z-RLRGG-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 20 sec shakin...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50635430(CHEMBL5559272)
Affinity DataKd:  1.36E+4nMAssay Description:Binding affinity to SARS-CoV2 PLpro by biolayer interferometry analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed