Compile Data Set for Download or QSAR
Report error Found 30 Enz. Inhib. hit(s) with all data for entry = 50016837
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Naples "Federico Ii

Curated by ChEMBL
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Affinity DataEC50:  1.03E+4nMAssay Description:Inhibition of C-terminal GST-tagged full length SARS CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) cells measured after 48 hrs by qRT-P...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Naples "Federico Ii

Curated by ChEMBL
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Affinity DataKd:  1.24E+4nMAssay Description:Binding affinity to C-terminal GST-tagged full length SARS CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) cells incubated for 1 hr by ES...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Naples "Federico Ii

Curated by ChEMBL
LigandPNGBDBM50009001(CHEMBL8260 | Baicalein | 5,6,7-Trihydroxyflavone |...)
Affinity DataKd:  1.24E+4nMAssay Description:Binding affinity to C-terminal GST-tagged full length SARS CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) cells incubated for 1 hr by ES...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Naples "Federico Ii

Curated by ChEMBL
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Affinity DataKd:  1.15E+4nMAssay Description:Binding affinity to C-terminal GST-tagged full length SARS CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) cells by isothermal titration ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Naples "Federico Ii

Curated by ChEMBL
LigandPNGBDBM50009001(CHEMBL8260 | Baicalein | 5,6,7-Trihydroxyflavone |...)
Affinity DataKd:  1.15E+4nMAssay Description:Binding affinity to C-terminal GST-tagged full length SARS CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) cells by isothermal titration ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Naples "Federico Ii

Curated by ChEMBL
LigandPNGBDBM50009001(CHEMBL8260 | Baicalein | 5,6,7-Trihydroxyflavone |...)
Affinity DataEC50:  1.69E+3nMAssay Description:Inhibition of C-terminal GST-tagged full length SARS CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) cells measured after 48 hrs by qRT-P...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Naples "Federico Ii

Curated by ChEMBL
LigandPNGBDBM419133(GC376 | BDBM429386 | US12180156, BS of GC373)
Affinity DataIC50: 30nMAssay Description:Inhibition of SARS CoV-2 3CL protease using dabcyl-KTSAVLQ/SGFRKME-edans as substrate incubated for 30 mins followed by substrate addition measured a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Naples "Federico Ii

Curated by ChEMBL
LigandPNGBDBM420297(med.21724, Compound 62 | peptidomimetic aldehydes ...)
Affinity DataIC50: 40nMAssay Description:Inhibition of N-terminal recombinant SARS CoV 2 3CL protease expressed in Escherichia coli BL21-DE3 cells using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as subs...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Naples "Federico Ii

Curated by ChEMBL
LigandPNGBDBM50597664(CHEMBL5207119)
Affinity DataIC50: 53nMAssay Description:Inhibition of N-terminal recombinant SARS CoV 2 3CL protease expressed in Escherichia coli BL21-DE3 cells using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as subs...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Naples "Federico Ii

Curated by ChEMBL
LigandPNGBDBM50197301(CHEMBL3922662 | ebselen derivative 1d)
Affinity DataIC50: 240nMAssay Description:Inhibition of recombinant SARS CoV-2 PL protease incubated for 60 mins by fluorescence based analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Naples "Federico Ii

Curated by ChEMBL
LigandPNGBDBM34233(EBSELEN | 2-Phenyl-benzo[d]isoselenazol-3-one(Ebse...)
Affinity DataIC50: 240nMAssay Description:Inhibition of SARS CoV-2 PL protease using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 substrate by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Naples "Federico Ii

Curated by ChEMBL
LigandPNGBDBM50197300(CHEMBL3912164 | ebselen derivative 2e)
Affinity DataIC50: 260nMAssay Description:Inhibition of recombinant SARS CoV-2 PL protease incubated for 60 mins by fluorescence based analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Naples "Federico Ii

Curated by ChEMBL
LigandPNGBDBM50197349(CHEMBL3983492 | ebselen derivative 1e)
Affinity DataIC50: 260nMAssay Description:Inhibition of recombinant SARS CoV-2 PL protease incubated for 60 mins by fluorescence based analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Naples "Federico Ii

Curated by ChEMBL
LigandPNGBDBM50009001(CHEMBL8260 | Baicalein | 5,6,7-Trihydroxyflavone |...)
Affinity DataIC50: 340nMAssay Description:Inhibition of C-terminal His6-tagged full length SARS CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) cells using Thr-Ser-Ala-Val-Leu-Gln...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Naples "Federico Ii

Curated by ChEMBL
LigandPNGBDBM31524(Naphthalene and Benzamide Derivative, 25 | 5-amino...)
Affinity DataIC50: 600nMAssay Description:Inhibition of SARS CoV-2 PL protease (1541 to 1855 residues) incubated for 3 hrs by microplate reader analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Naples "Federico Ii

Curated by ChEMBL
LigandPNGBDBM420295(med.21724, Compound 67 | alpha-ketoamide inhibitor...)
Affinity DataIC50: 670nMAssay Description:Inhibition of C-terminal 6-His-tagged recombinant SARS CoV-2 3CL protease expressed in Escherichia coli BL21-Gold DE3 cells by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPurchaseSimilars
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Naples "Federico Ii

Curated by ChEMBL
LigandPNGBDBM34233(EBSELEN | 2-Phenyl-benzo[d]isoselenazol-3-one(Ebse...)
Affinity DataIC50: 670nMAssay Description:Inhibition of SARS CoV-2 3CL protease using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 substrate by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Naples "Federico Ii

Curated by ChEMBL
LigandPNGBDBM420283(med.21724, Compound 64 | alpha-ketoamide inhibitor...)
Affinity DataIC50: 710nMAssay Description:Inhibition of SARS CoV-2 3CL proteaseMore data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Naples "Federico Ii

Curated by ChEMBL
LigandPNGBDBM420295(med.21724, Compound 67 | alpha-ketoamide inhibitor...)
Affinity DataIC50: 900nMAssay Description:Inhibition of C-terminal 6-His-tagged recombinant SARS CoV 3CL protease expressed in Escherichia coli BL21-Gold DE3 cells by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPurchaseSimilars
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Naples "Federico Ii

Curated by ChEMBL
LigandPNGBDBM50009001(CHEMBL8260 | Baicalein | 5,6,7-Trihydroxyflavone |...)
Affinity DataIC50: 940nMAssay Description:Inhibition of C-terminal GST-tagged full length SARS CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) cells using MCA-AVLQSGFR-Lys(Dnp)-Ly...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Naples "Federico Ii

Curated by ChEMBL
LigandPNGBDBM50009001(CHEMBL8260 | Baicalein | 5,6,7-Trihydroxyflavone |...)
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of C-terminal GST-tagged full length SARS CoV 3CL protease expressed in Escherichia coli BL21 (DE3) cells using MCA-AVLQSGFR-Lys(Dnp)-Lys-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Naples "Federico Ii

Curated by ChEMBL
LigandPNGBDBM50597663(CHEMBL5208720)
Affinity DataIC50: 1.34E+3nMAssay Description:Inhibition of C-terminal 6-His-tagged recombinant SARS CoV-2 3CL protease expressed in Escherichia coli BL21-Gold DE3 cells by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Naples "Federico Ii

Curated by ChEMBL
LigandPNGBDBM34233(EBSELEN | 2-Phenyl-benzo[d]isoselenazol-3-one(Ebse...)
Affinity DataIC50: 2.26E+3nMAssay Description:Inhibition of SARS CoV-2 PL protease incubated for 60 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Naples "Federico Ii

Curated by ChEMBL
LigandPNGBDBM419133(GC376 | BDBM429386 | US12180156, BS of GC373)
Affinity DataIC50: 4.35E+3nMAssay Description:Inhibition of SARS CoV 3CL protease using dabcyl-KTSAVLQ/SGFRKME-edans as substrate incubated for 30 mins followed by substrate addition measured aft...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Naples "Federico Ii

Curated by ChEMBL
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Affinity DataIC50: 6.41E+3nMAssay Description:Inhibition of C-terminal GST-tagged full length SARS CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) cells using MCA-AVLQSGFR-Lys(Dnp)-Ly...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Naples "Federico Ii

Curated by ChEMBL
LigandPNGBDBM50597665(CHEMBL5172346)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of SARS CoV-2 PL proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Naples "Federico Ii

Curated by ChEMBL
LigandPNGBDBM50597666(CHEMBL5176411)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of SARS CoV-2 PL proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Naples "Federico Ii

Curated by ChEMBL
LigandPNGBDBM50197297(CHEMBL3928799 | ebselen derivative 2d)
Affinity DataIC50: 3.40E+4nMAssay Description:Inhibition of recombinant SARS CoV-2 PL protease incubated for 60 mins by fluorescence based analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Naples "Federico Ii

Curated by ChEMBL
LigandPNGBDBM419133(GC376 | BDBM429386 | US12180156, BS of GC373)
Affinity DataKi:  60nMAssay Description:Binding affinity to SARS CoV-2 3CL protease using dabcyl-KTSAVLQ/SGFRKME-edans as substrate incubated for 30 mins followed by substrate addition meas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Naples "Federico Ii

Curated by ChEMBL
LigandPNGBDBM419120(the N3 Compound | cmdc.202100576, 8d(N3) | acs.jme...)
Affinity DataKi:  9.00E+3nMAssay Description:Binding affinity to SARS CoV-2 main protease pH41A mutant expressed in Escherichia coli BL21 DE3 cells using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as substra...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed