Compile Data Set for Download or QSAR
Report error Found 46 Enz. Inhib. hit(s) with all data for entry = 50022344
TargetReplicase polyprotein 1ab(2019-nCoV)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 496902BDBM496902(PF-07321332 | science.abl4784, 6 | WO2021250648, E...)
Affinity DataKi:  3nMAssay Description:Inhibition of SARS-CoV-2 Main protease using Dabcyl-KTSAVLQSGFRKME-Edans as substrate preincubated for 20 mins followed by substrate addition by FRET...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50651098BDBM50651098(CHEMBL5633810)
Affinity DataIC50: 8nMAssay Description:Inhibition of SARS-CoV-2 Main protease using MCA-AVLQSGFR-Lys(DNP)-Lys-NH2 as substrate preincubated for 10 mins followed by substrate addition by FR...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)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 723713BDBM723713(US20250064789, Compound 289)
Affinity DataIC50: 11nMAssay Description:Inhibition of SARS-CoV-2 main protease by FRET assayMore 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)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 723552BDBM723552(US20250064789, Compound 126)
Affinity DataIC50: 11nMAssay Description:Inhibition of SARS-CoV-2 main protease by FRET assayMore 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)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 496902BDBM496902(PF-07321332 | science.abl4784, 6 | WO2021250648, E...)
Affinity DataIC50: 11nMAssay Description:Inhibition of SARS-CoV-2 main protease by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 723699BDBM723699(US20250064789, Compound 275)
Affinity DataIC50: 11nMAssay Description:Inhibition of SARS-CoV-2 main protease by FRET assayMore 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)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 723581BDBM723581(US20250064789, Compound 155)
Affinity DataIC50: 14nMAssay Description:Inhibition of SARS-CoV-2 main protease by FRET assayMore 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)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50598463BDBM50598463(CHEMBL5195325)
Affinity DataIC50: 15nMAssay Description:Inhibition of SARS-CoV-2 Main protease expressed in Escherichia coli BL21 (DE3) using MCA-AVLQSGFR-Lys (DNP)-Lys-NH2 as substrate preincubated for 10...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50651093BDBM50651093(CHEMBL5633409)
Affinity DataIC50: 15nMAssay Description:Inhibition of SARS-CoV-2 main protease by FRET assayMore 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)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 723712BDBM723712(US20250064789, Compound 288)
Affinity DataIC50: 15nMAssay Description:Inhibition of SARS-CoV-2 main protease by FRET assayMore 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)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 723571BDBM723571(US20250064789, Compound 145)
Affinity DataIC50: 16nMAssay Description:Inhibition of SARS-CoV-2 main protease by FRET assayMore 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)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 723537BDBM723537(US20250064789, Compound 111)
Affinity DataIC50: 16nMAssay Description:Inhibition of SARS-CoV-2 main protease by FRET assayMore 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)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50405464BDBM50405464(CHEMBL5270743)
Affinity DataIC50: 17nMAssay Description:Inhibition of SARS-CoV-2 Main protease expressed in Escherichia coli BL21 (DE3) using MCA-AVLQSGFR-Lys (DNP)-Lys-NH2 as substrate preincubated for 10...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 723648BDBM723648(US20250064789, Compound 222)
Affinity DataIC50: 17nMAssay Description:Inhibition of SARS-CoV-2 main protease by FRET assayMore 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)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50651094BDBM50651094(CHEMBL5631484)
Affinity DataIC50: 18nMAssay Description:Inhibition of SARS-CoV-2 main protease by FRET assayMore 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)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50651091BDBM50651091(CHEMBL5633587)
Affinity DataIC50: 19nMAssay Description:Inhibition of SARS-CoV-2 main protease by FRET assayMore 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)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 723861BDBM723861(US20250064789, Compound 440)
Affinity DataIC50: 20nMAssay Description:Inhibition of SARS-CoV-2 main protease by FRET assayMore 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)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 723595BDBM723595(US20250064789, Compound 169)
Affinity DataIC50: 21nMAssay Description:Inhibition of SARS-CoV-2 main protease by FRET assayMore 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)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 723863BDBM723863(US20250064789, Compound 442)
Affinity DataIC50: 21nMAssay Description:Inhibition of SARS-CoV-2 main protease by FRET assayMore 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)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 723866BDBM723866(US20250064789, Compound 445)
Affinity DataIC50: 22nMAssay Description:Inhibition of SARS-CoV-2 main protease by FRET assayMore 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)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 723717BDBM723717(US20250064789, Compound 293)
Affinity DataIC50: 24nMAssay Description:Inhibition of SARS-CoV-2 main protease by FRET assayMore 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)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 723666BDBM723666(US20250064789, Compound 242)
Affinity DataIC50: 27nMAssay Description:Inhibition of SARS-CoV-2 main protease by FRET assayMore 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)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 429386BDBM429386(med.21724, Compound 57)
Affinity DataIC50: 30nMAssay Description:Inhibition of SARS-CoV-2 BetaCoV/Wuhan/WIV04/2019 Main protease expressed in Escherichia coli BL21 (DE3) using Dabcyl-KTSAVLQ/SGFRKME as substrate pr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 723582BDBM723582(US20250064789, Compound 156)
Affinity DataIC50: 31nMAssay Description:Inhibition of SARS-CoV-2 main protease by FRET assayMore 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)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50651095BDBM50651095(CHEMBL5632349)
Affinity DataIC50: 34nMAssay Description:Inhibition of SARS-CoV-2 main protease by FRET assayMore 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)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50651089BDBM50651089(CHEMBL5631284)
Affinity DataIC50: 34nMAssay Description:Inhibition of SARS-CoV-2 main protease by FRET assayMore 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)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 723700BDBM723700(US20250064789, Compound 276)
Affinity DataIC50: 35nMAssay Description:Inhibition of SARS-CoV-2 main protease by FRET assayMore 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)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50651097BDBM50651097(CHEMBL5633251)
Affinity DataIC50: 37nMAssay Description:Inhibition of SARS-CoV-2 main protease by FRET assayMore 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)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50651096BDBM50651096(CHEMBL5633618)
Affinity DataIC50: 42nMAssay Description:Inhibition of SARS-CoV-2 main protease by FRET assayMore 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)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 723870BDBM723870(US20250064789, Compound 449)
Affinity DataIC50: 45nMAssay Description:Inhibition of SARS-CoV-2 main protease by FRET assayMore 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)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 723872BDBM723872(US20250064789, Compound 451)
Affinity DataIC50: 45nMAssay Description:Inhibition of SARS-CoV-2 main protease by FRET assayMore 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)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 723860BDBM723860(US20250064789, Compound 439)
Affinity DataIC50: 46nMAssay Description:Inhibition of SARS-CoV-2 main protease by FRET assayMore 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)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 420296BDBM420296(med.21724, Compound 61 | peptidomimetic aldehydes ...)
Affinity DataIC50: 53nMAssay Description:Inhibition of recombinant SARS-CoV-2 full-length main protease expressed in Escherichia coli using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as substrate preincu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50651088BDBM50651088(CHEMBL5633499)
Affinity DataIC50: 56nMAssay Description:Inhibition of SARS-CoV-2 main protease by FRET assayMore 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)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 723869BDBM723869(US20250064789, Compound 448)
Affinity DataIC50: 60nMAssay Description:Inhibition of SARS-CoV-2 main protease by FRET assayMore 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)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 723873BDBM723873(US20250064789, Compound 452)
Affinity DataIC50: 66nMAssay Description:Inhibition of SARS-CoV-2 main protease by FRET assayMore 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)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50651087BDBM50651087(CHEMBL5632173)
Affinity DataIC50: 87nMAssay Description:Inhibition of SARS-CoV-2 main protease by FRET assayMore 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)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50651090BDBM50651090(CHEMBL5632068)
Affinity DataIC50: 141nMAssay Description:Inhibition of SARS-CoV-2 main protease by FRET assayMore 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)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50651092BDBM50651092(CHEMBL5632056)
Affinity DataIC50: 168nMAssay Description:Inhibition of SARS-CoV-2 main protease by FRET assayMore 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)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 723868BDBM723868(US20250064789, Compound 447)
Affinity DataIC50: 187nMAssay Description:Inhibition of SARS-CoV-2 main protease by FRET assayMore 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)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50651085BDBM50651085(CHEMBL5633318)
Affinity DataIC50: 208nMAssay Description:Inhibition of SARS-CoV-2 main protease by FRET assayMore 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)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 723865BDBM723865(US20250064789, Compound 444)
Affinity DataIC50: 214nMAssay Description:Inhibition of SARS-CoV-2 main protease by FRET assayMore 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)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50651086BDBM50651086(CHEMBL5632992)
Affinity DataIC50: 219nMAssay Description:Inhibition of SARS-CoV-2 main protease by FRET assayMore 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)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 723867BDBM723867(US20250064789, Compound 446)
Affinity DataIC50: 414nMAssay Description:Inhibition of SARS-CoV-2 main protease by FRET assayMore 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)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 420295BDBM420295(med.21724, Compound 67 | alpha-ketoamide inhibitor...)
Affinity DataIC50: 670nMAssay Description:Inhibition of SARS-CoV-2 main protease using Dabcyl-KTSAVLQSGFRKM-E(Edans)-NH2 as substrate by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPurchaseSimilars
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50651084BDBM50651084(CHEMBL5632119)
Affinity DataIC50: 1.27E+3nMAssay Description:Inhibition of SARS-CoV-2 main protease by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed