BDBM50594616 CHEMBL5170425

SMILES COc1cc(Cl)cc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C#N

InChI Key InChIKey=NCMBMJWVGROMTF-UHFFFAOYSA-N

Data  4 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 6 hits for monomerid = 50594616   

TargetReplicase polyprotein 1ab(2019-nCoV)
Shaanxi University of Science & Technology

Curated by ChEMBL
LigandPNGBDBM50594616(CHEMBL5170425)
Affinity DataIC50: 9.10nMAssay Description:Inhibition of SARS-CoV-2 3CLp using fluorescent substrate by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Shaanxi University of Science & Technology

Curated by ChEMBL
LigandPNGBDBM50594616(CHEMBL5170425)
Affinity DataIC50: 9.10nMAssay Description:Inhibition of SARS-CoV-2 3CL protease by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetCathepsin S(Human)
University of Alberta Edmonton

Curated by ChEMBL
LigandPNGBDBM50594616(CHEMBL5170425)
Affinity DataIC50: 400nMAssay Description:Inhibition of human cathepsin SMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetProcathepsin L(Human)
University of Alberta Edmonton

Curated by ChEMBL
LigandPNGBDBM50594616(CHEMBL5170425)
Affinity DataIC50: 470nMAssay Description:Inhibition of human cathepsin LMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Shaanxi University of Science & Technology

Curated by ChEMBL
LigandPNGBDBM50594616(CHEMBL5170425)
Affinity DataIC50: 9.10E+3nMAssay Description:Inhibition of SARS-CoV-2 MPro using Dabcyl-KTSAVLQSGFRKME-Edans as substrate measured after 10 mins by fluorescence based analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCathepsin B(Human)
University of Alberta Edmonton

Curated by ChEMBL
LigandPNGBDBM50594616(CHEMBL5170425)
Affinity DataIC50: 1.80E+4nMAssay Description:Inhibition of human cathepsin BMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed