BDBM50589772 CHEMBL5082224

SMILES c1cc(c(cc1N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl)Cl

InChI Key InChIKey=XREZIAMDGRLMGZ-UHFFFAOYSA-N

Data  1 KI  5 IC50

PDB links: 2 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50589772   

TargetReplicase polyprotein 1ab(2019-nCoV)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50589772(CHEMBL5082224)
Affinity DataIC50: 5.10nMAssay Description:Inhibition of SARS-CoV-2 main protease using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as fluorescent substrate preincubated for 10 mins followed by substrate ad...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50589772(CHEMBL5082224)
Affinity DataIC50: 4.20E+3nMAssay Description:Inhibition of SARS-CoV-2 main proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50589772(CHEMBL5082224)
Affinity DataIC50: 5.10E+3nMAssay Description:Inhibition of SARS-CoV-2 main protease using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as substrate preincubated for 30 mins followed by substrate addition and m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50589772(CHEMBL5082224)
Affinity DataIC50: 680nMAssay Description:Inhibition of SARS-CoV-2 3CL protease by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50589772(CHEMBL5082224)
Affinity DataIC50: 4.20E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50589772(CHEMBL5082224)
Affinity DataKi:  2.90E+3nMAssay Description:Binding affinity to SARS-CoV-2 Main protease expressed in Escherichia coli BL21 (DE3) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed