BDBM50651878 CHEMBL5639226

SMILES [O-][S+](Cc1cccnc1)c1nnc(-c2ccc(Br)cc2)o1

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 8 hits for monomerid = 50651878   

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

Curated by ChEMBL
LigandPNGBDBM50651878(CHEMBL5639226)
Affinity DataIC50: 30nMAssay Description:Time dependent inhibition of SARS-CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) Rosetta competent cells measured after 60 mins by FRET ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50651878(CHEMBL5639226)
Affinity DataIC50: 30nMAssay 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
TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50651878(CHEMBL5639226)
Affinity DataIC50: 45nMAssay Description:Time dependent inhibition of SARS-CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) Rosetta competent cells measured after 30 mins by FRET ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50651878(CHEMBL5639226)
Affinity DataIC50: 77nMAssay Description:Time dependent inhibition of SARS-CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) Rosetta competent cells measured after 15 mins by FRET ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50651878(CHEMBL5639226)
Affinity DataIC50: 139nMAssay Description:Time dependent inhibition of SARS-CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) Rosetta competent cells measured after 5 mins by FRET a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50651878(CHEMBL5639226)
Affinity DataKi:  520nMAssay Description:Binding affinity to SARS-CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) Rosetta competent cells assessed as inhibition constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetCathepsin B(Human)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50651878(CHEMBL5639226)
Affinity DataIC50: 1.35E+3nMAssay Description:Inhibition of human cathepsin B incubated for 30 mins by fluorescence based analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetProcathepsin L(Human)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50651878(CHEMBL5639226)
Affinity DataIC50: 5.04E+3nMAssay Description:Inhibition of human cathepsin L incubated for 30 mins by fluorescence based analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed