BDBM50638217 CHEMBL5559068

SMILES CN1C(=O)[C@H](Cc2ccccc2)N(C(=O)CNC(=O)c2cccs2)CCCOc2c(Cl)cccc2CN1C#N

InChI Key

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50638217   

TargetReplicase polyprotein 1ab(2019-nCoV)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50638217(CHEMBL5559068)
Affinity DataKi:  2.30nMAssay Description:Inhibition of SARS-CoV2 main protease using Dabcyl-Lys-Thr-Ser-Ala-Val-Leu-Gln-Ser-Gly-Phe-Arg-Lys-Met-Glu-EDAN as substrate measured after 60 minsMore 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)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50638217(CHEMBL5559068)
Affinity DataIC50: 3nMAssay Description:Inhibition of SARS-CoV2 main protease using Boc-Abu-Tle-Leu-Gln-AMC as substrate preincubated for 5 mins followed by enzyme addition and measured aft...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetCathepsin S(Human)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50638217(CHEMBL5559068)
Affinity DataKi:  470nMAssay Description:Inhibition of recombinant human cathepsin S using Z-Phe-Arg-AMC as substrate incubated for 60 minsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed