BDBM50648578 CHEMBL5612841

SMILES CSc1nc2ccccc2n1C(=O)c1ccc(C)c(F)c1

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 3 hits for monomerid = 50648578   

TargetReplicase polyprotein 1ab(2019-nCoV)
Univ. Lille

Curated by ChEMBL
LigandPNGBDBM50648578(CHEMBL5612841)
Affinity DataIC50: 90nMAssay Description:Inhibition of SARS-CoV-2 3CLpro using Dabcyl-KTSAVLQSGFRKM-Glu(Edans) as substrate preincubated for 1 hrs in presence of 2 mM GSH followed by substra...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetReplicase polyprotein 1ab(HCoV-229E)
Univ. Lille

Curated by ChEMBL
LigandPNGBDBM50648578(CHEMBL5612841)
Affinity DataIC50: 350nMAssay Description:Inhibition of hCoV-229E 3CLpro using Dabcyl-KTSAVLQSGFRKM-Glu(Edans) as substrate preincubated 1 hr in presence of 2 mM GSH followed by substrate add...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCalpain-1 catalytic subunit(Human)
Univ. Lille

Curated by ChEMBL
LigandPNGBDBM50648578(CHEMBL5612841)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human calpain 1 using (DABCYL)-TPLKSPPPSPR-(EDANS) as substrate incubated for 30 mins in presence of calcium ions and GSH and measured ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed