BDBM50645047 CHEMBL5572124

SMILES CN1C(=O)/C(=C2/C(=O)N(CCCN)c3ccc(Br)cc32)c2ccccc21

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 5 hits for monomerid = 50645047   

TargetReplicase polyprotein 1ab(2019-nCoV)
Central South University

Curated by ChEMBL
LigandPNGBDBM50645047(CHEMBL5572124)
Affinity DataIC50: 1.15E+3nMAssay Description:Non-covalent inhibition of SARS-CoV-2 main protease incubated for 30 mins followed by substrate addition by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Central South University

Curated by ChEMBL
LigandPNGBDBM50645047(CHEMBL5572124)
Affinity DataIC50: 1.30E+3nMAssay Description:Non-covalent inhibition of SARS-CoV-2 main protease incubated for 10 mins followed by substrate addition by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Central South University

Curated by ChEMBL
LigandPNGBDBM50645047(CHEMBL5572124)
Affinity DataIC50: 1.34E+3nMAssay Description:Non-covalent inhibition of SARS-CoV-2 main protease incubated for 50 mins followed by substrate addition by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Central South University

Curated by ChEMBL
LigandPNGBDBM50645047(CHEMBL5572124)
Affinity DataIC50: 1.35E+3nMAssay Description:Inhibition of recombinant SARS-CoV-2 main protease expressed in Escherichia coli BL21 DE3 expression cells using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as sub...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(2019-nCoV)
Central South University

Curated by ChEMBL
LigandPNGBDBM50645047(CHEMBL5572124)
Affinity DataKd:  1.68E+4nMAssay Description:Binding affinity to recombinant SARS-CoV-2 main protease expressed in Escherichia coli BL21 DE3 expression cells assessed as dissociation constant me...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed