Compile Data Set for Download or QSAR
Report error Found 38 Enz. Inhib. hit(s) with all data for entry = 50023361
TargetReplicase polyprotein 1ab(2019-nCoV)
Umm Al-Qura University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50662448BDBM50662448(CHEMBL5093164)
Affinity DataIC50: 0.170nMAssay Description:Inhibition of SARS-CoV-2 3CL proteaseMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetProcathepsin L(Human)
Umm Al-Qura University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50662432BDBM50662432(CHEMBL6172766)
Affinity DataIC50: 1nMAssay Description:Inhibition of Cathepsin L (unknown origin)More data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetProcathepsin L(Human)
Umm Al-Qura University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50662431BDBM50662431(CHEMBL6148769)
Affinity DataIC50: 6nMAssay Description:Inhibition of Cathepsin L (unknown origin)More data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Umm Al-Qura University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 512458BDBM512458(acs.jmedchem.1c00409_ST.51)
Affinity DataKi:  15nMAssay Description:Binding affinity to C-terminal GST-tagged full-length recombinant SARS-CoV-2 3CLpro extracted from Escherichia coli BL21(DE3) assessed as inhibition ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Umm Al-Qura University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 476960BDBM476960(peptidomimetic coronavirus 3CLpro inhibitors 2i)
Affinity DataKi:  15nMAssay Description:Binding affinity to C-terminal GST-tagged full-length recombinant SARS-CoV-2 3CLpro extracted from Escherichia coli BL21(DE3) assessed as inhibition ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Umm Al-Qura University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50620674BDBM50620674(CHEMBL4590273)
Affinity DataIC50: 20nMAssay Description:Inhibition of SARS-CoV-2 3CL protease by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Umm Al-Qura University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50620675BDBM50620675(CHEMBL5434729)
Affinity DataIC50: 23nMAssay Description:Inhibition of SARS-CoV-2 3CL proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Umm Al-Qura University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50620678BDBM50620678(CHEMBL5436771)
Affinity DataIC50: 30nMAssay Description:Inhibition of SARS-CoV-2 3CL proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Umm Al-Qura University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 496875BDBM496875(indole chloropyridinyl-ester derived, 7d)
Affinity DataIC50: 70nMAssay Description:Inhibition of SARS-CoV-2 3CL protease using DabcylKTSAVLQSGFRKME-Edans amide as substrate preincubated for 30 mins followed by substrate addition and...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Umm Al-Qura University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50662443BDBM50662443(CHEMBL5175540)
Affinity DataIC50: 80nMAssay Description:Inhibition of SARS-CoV-2 3CL proteaseMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Umm Al-Qura University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50662444BDBM50662444(CHEMBL5085894)
Affinity DataIC50: 100nMAssay Description:Inhibition of SARS-CoV-2 3CL proteaseMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Umm Al-Qura University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 496873BDBM496873(indole chloropyridinyl-ester derived, 7b)
Affinity DataIC50: 120nMAssay Description:Inhibition of SARS-CoV-2 3CL protease using DabcylKTSAVLQSGFRKME-Edans amide as substrate preincubated for 30 mins followed by substrate addition and...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Umm Al-Qura University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50662433BDBM50662433(CHEMBL6149270)
Affinity DataIC50: 140nMAssay Description:Inhibition of SARS-CoV-2 3CL protease using DabcylKTSAVLQSGFRKME-Edans amide as substrate measured for 1 hrs by FRET assayMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Umm Al-Qura University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50662434BDBM50662434(CHEMBL6169849)
Affinity DataIC50: 140nMAssay Description:Inhibition of SARS-CoV-2 3CL protease using DabcylKTSAVLQSGFRKME-Edans amide as substrate measured for 1 hrs by FRET assayMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Umm Al-Qura University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50662435BDBM50662435(CHEMBL6172770)
Affinity DataIC50: 140nMAssay Description:Inhibition of SARS-CoV-2 3CL protease using DabcylKTSAVLQSGFRKME-Edans amide as substrate measured for 1 hrs by FRET assayMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Umm Al-Qura University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50662436BDBM50662436(CHEMBL6175271)
Affinity DataIC50: 140nMAssay Description:Inhibition of SARS-CoV-2 3CL protease using DabcylKTSAVLQSGFRKME-Edans amide as substrate measured for 1 hrs by FRET assayMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Umm Al-Qura University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50662440BDBM50662440(CHEMBL6177150)
Affinity DataIC50: 170nMAssay Description:Inhibition of N-terminal 6His-tagged SARS-CoV-2 3CL protease using FAM-SAVLQ as substrate pre-incubated for 15 mins followed by substrate addition an...More data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Umm Al-Qura University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50662441BDBM50662441(CHEMBL6146458)
Affinity DataIC50: 170nMAssay Description:Inhibition of N-terminal 6His-tagged SARS-CoV-2 3CL protease using FAM-SAVLQ as substrate pre-incubated for 15 mins followed by substrate addition an...More data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Umm Al-Qura University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50662442BDBM50662442(CHEMBL6160198)
Affinity DataIC50: 170nMAssay Description:Inhibition of N-terminal 6His-tagged SARS-CoV-2 3CL protease using FAM-SAVLQ as substrate pre-incubated for 15 mins followed by substrate addition an...More data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Umm Al-Qura University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50662437BDBM50662437(CHEMBL6173910)
Affinity DataIC50: 170nMAssay Description:Inhibition of N-terminal 6His-tagged SARS-CoV-2 3CL protease using FAM-SAVLQ as substrate pre-incubated for 15 mins followed by substrate addition an...More data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Umm Al-Qura University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50662438BDBM50662438(CHEMBL6177419)
Affinity DataIC50: 170nMAssay Description:Inhibition of N-terminal 6His-tagged SARS-CoV-2 3CL protease using FAM-SAVLQ as substrate pre-incubated for 15 mins followed by substrate addition an...More data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Umm Al-Qura University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50662439BDBM50662439(CHEMBL6149710)
Affinity DataIC50: 170nMAssay Description:Inhibition of N-terminal 6His-tagged SARS-CoV-2 3CL protease using FAM-SAVLQ as substrate pre-incubated for 15 mins followed by substrate addition an...More data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Umm Al-Qura University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50662447BDBM50662447(CHEMBL5082129)
Affinity DataIC50: 240nMAssay Description:Inhibition of SARS-CoV-2 3CL proteaseMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Umm Al-Qura University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 429304BDBM429304(jm5b01461, Compound 124 | indole chloropyridinyl-e...)
Affinity DataIC50: 250nMAssay Description:Inhibition of SARS-CoV-2 3CL protease using DabcylKTSAVLQSGFRKME-Edans amide as substrate preincubated for 30 mins followed by substrate addition and...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Umm Al-Qura University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50662441BDBM50662441(CHEMBL6146458)
Affinity DataIC50: 280nMAssay Description:Inhibition of SARS-CoV-2 3CL proteaseMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Umm Al-Qura University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50620702BDBM50620702(CHEMBL5076981)
Affinity DataIC50: 420nMAssay Description:Inhibition of SARS-CoV-2 3CL proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Umm Al-Qura University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50662446BDBM50662446(CHEMBL6175844)
Affinity DataIC50: 450nMAssay Description:Inhibition of SARS-CoV-2 3CL proteaseMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Umm Al-Qura University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 15236BDBM15236(CHEMBL164 | Cannabiscetin | 3,5,7-trihydroxy-2-(3,...)
Affinity DataIC50: 630nMAssay Description:Inhibition of SARS-CoV-2 3CL proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetReplicase polyprotein 1ab(2019-nCoV)
Umm Al-Qura University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50662452BDBM50662452(CHEMBL6176007)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of SARS-CoV-2 3CL protease by luciferase reporter assayMore data for this Ligand-Target Pair
Ligand InfoPDB
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Umm Al-Qura University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50662445BDBM50662445(CHEMBL6172907)
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of SARS-CoV-2 3CL proteaseMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Umm Al-Qura University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 496888BDBM496888(indole chloropyridinyl-ester derived, 9d)
Affinity DataIC50: 2.20E+3nMAssay Description:Inhibition of SARS-CoV-2 3CL protease using DabcylKTSAVLQSGFRKME-Edans amide as substrate preincubated for 30 mins followed by substrate addition and...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Umm Al-Qura University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50662449BDBM50662449(CHEMBL6160575)
Affinity DataIC50: 2.36E+3nMAssay Description:Inhibition of SARS-CoV-2 3CL protease by luciferase reporter assayMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Umm Al-Qura University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50662430BDBM50662430(CHEMBL1821856)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of SARS-CoV-2 3CL protease by FRET assayMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Umm Al-Qura University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 448319BDBM448319(GC376 | GC-376 | US20250188102, Compound GC-376)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of SARS-CoV-2 3CL protease by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Umm Al-Qura University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 476983BDBM476983(GC-373 | GC373)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of SARS-CoV-2 3CL protease by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Umm Al-Qura University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50662450BDBM50662450(CHEMBL6165941)
Affinity DataIC50: 9.39E+3nMAssay Description:Inhibition of SARS-CoV-2 3CL protease by luciferase reporter assayMore data for this Ligand-Target Pair
Ligand InfoPDB
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Umm Al-Qura University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 34233BDBM34233(EBSELEN | 2-Phenyl-benzo[d]isoselenazol-3-one(Ebse...)
Affinity DataIC50: 1.03E+4nMAssay Description:Inhibition of SARS-CoV-2 PL protease using peptide-AMC as substrate incubated for 60 mins by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Umm Al-Qura University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50662451BDBM50662451(CHEMBL6168104)
Affinity DataIC50: 1.39E+5nMAssay Description:Inhibition of SARS-CoV-2 3CL protease by luciferase reporter assayMore data for this Ligand-Target Pair
Ligand InfoPDB
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed