Compile Data Set for Download or QSAR
Report error Found 21 Enz. Inhib. hit(s) with all data for entry = 50021497
TargetReplicase polyprotein 1ab(2019-nCoV)
Tripura University

Curated by ChEMBL
LigandPNGBDBM50009001(CHEMBL8260 | Baicalein | 5,6,7-Trihydroxyflavone |...)
Affinity DataIC50: 390nMAssay Description:Inhibition of C-terminal 6xHis-tagged recombinant SARS-CoV-2 3CL protease expressed in Escherichia coli BL21(DE3) using Thr-Ser-Ala-Val-Leu-Gln-pNA a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Tripura University

Curated by ChEMBL
LigandPNGBDBM50009001(CHEMBL8260 | Baicalein | 5,6,7-Trihydroxyflavone |...)
Affinity DataIC50: 940nMAssay Description:Inhibition of C-terminal GST-tagged full-length recombinant SARS-CoV-2 3CLpro expressed in Escherichia coli BL21(DE3) using MCA-AVLQSGFR-Lys(Dnp)-Lys...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Tripura University

Curated by ChEMBL
LigandPNGBDBM31523(Naphthalene and Benzamide Derivative, 24 | med.217...)
Affinity DataIC50: 1.73E+3nMAssay Description:Inhibition of SARS-CoV-2 PLpro using Ubiquitin-AMC as substrate by continuous kinetic assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Tripura University

Curated by ChEMBL
LigandPNGBDBM50009001(CHEMBL8260 | Baicalein | 5,6,7-Trihydroxyflavone |...)
Affinity DataIC50: 2.90E+3nMAssay Description:Binding affinity to SARS-CoV-2 nsp13-associated unwinding activity expressed in Escherichia coli Rosetta using 5'-AGTCTTCTCCTGGTGCTCGAACAGTGC-Cy3-3',...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetXanthine dehydrogenase/oxidase(Human)
Tripura University

Curated by ChEMBL
LigandPNGBDBM50009001(CHEMBL8260 | Baicalein | 5,6,7-Trihydroxyflavone |...)
Affinity DataIC50: 3.12E+3nMAssay Description:Inhibition of xanthine oxidase (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Tripura University

Curated by ChEMBL
LigandPNGBDBM50009001(CHEMBL8260 | Baicalein | 5,6,7-Trihydroxyflavone |...)
Affinity DataKd:  4.03E+3nMAssay Description:Binding affinity to C-terminal GST-tagged full-length recombinant SARS-CoV-2 3CLpro expressed in Escherichia coli BL21(DE3) by ITC analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Tripura University

Curated by ChEMBL
LigandPNGBDBM50009001(CHEMBL8260 | Baicalein | 5,6,7-Trihydroxyflavone |...)
Affinity DataIC50: 5.16E+3nMAssay Description:Inhibition of SARS-CoV-2 MPro using Dabcyl-KTSAVLQSGFRKME-Edans as substrate preincubated for 5 mins followed by substrate addition measured after 10...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Tripura University

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 recombinant SARS-CoV-2 3CLpro expressed in Escherichia coli BL21(DE3) using MCA-AVLQSGFR-Lys(Dnp)-Lys...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetXanthine dehydrogenase/oxidase(Bovine)
Tripura University

Curated by ChEMBL
LigandPNGBDBM50009001(CHEMBL8260 | Baicalein | 5,6,7-Trihydroxyflavone |...)
Affinity DataIC50: 7.54E+3nMAssay Description:Inhibition of bovine milk xanthine oxidase using xanthine as substrate preincubated for 30 mins followed by substrate addition measured for 200 secs ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Tripura University

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 recombinant SARS-CoV-2 3CLpro expressed in Escherichia coli BL21(DE3) by ITC analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetXanthine dehydrogenase/oxidase(Human)
Tripura University

Curated by ChEMBL
LigandPNGBDBM50140241(CHEBI:40279 | Allopurinol | Aloral | Aluline 100 |...)
Affinity DataIC50: 2.72E+4nMAssay Description:Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate preincubated for 30 mins followed by substrate addition by spectrophotome...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Tripura University

Curated by ChEMBL
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Affinity DataIC50: 3.47E+4nMAssay Description:Inhibition of SARS-CoV-2 3CLpro expressed in Escherichia coli BL21(DE3) using DABCYL-KTSAVLQSGFRKME-EDANS as substrate preincubated for 1 hr followed...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetSpike glycoprotein(2019-nCoV)
Tripura University

Curated by ChEMBL
LigandPNGBDBM50009001(CHEMBL8260 | Baicalein | 5,6,7-Trihydroxyflavone |...)
Affinity DataIC50: 5.10E+4nMAssay Description:Inhibition of SARS-CoV-2 spike-mediated pseudovirus entry infected in HEK293T cells expressing human ACE2 preincubated with cell culture for 2 hrs an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetXanthine dehydrogenase/oxidase(Human)
Tripura University

Curated by ChEMBL
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Affinity DataIC50: 5.56E+4nMAssay Description:Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate preincubated for 30 mins followed by substrate addition by spectrophotome...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Tripura University

Curated by ChEMBL
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Affinity DataIC50: 8.34E+4nMAssay Description:Inhibition of C-terminal 6xHis-tagged recombinant SARS-CoV-2 3CL protease expressed in Escherichia coli BL21(DE3) using Thr-Ser-Ala-Val-Leu-Gln-pNA a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetSpike glycoprotein(2019-nCoV)
Tripura University

Curated by ChEMBL
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Affinity DataIC50: 1.10E+5nMAssay Description:Inhibition of SARS-CoV-2 spike-mediated pseudovirus entry infected in HEK293T cells expressing human ACE2 preincubated with cell culture for 2 hrs an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetRenin(Human)
Tripura University

Curated by ChEMBL
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Affinity DataIC50: 1.20E+5nMAssay Description:Inhibition of recombinant human renin using Arg-Glu(EDANS)-lle-His-Pro-Phe-His-Leu-Val-lle-His-Thr-Lys(dabcyl)-Arg as substrate incubated for 5 to 10...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetXanthine dehydrogenase/oxidase(Bovine)
Tripura University

Curated by ChEMBL
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Affinity DataIC50: 1.23E+5nMAssay Description:Inhibition of bovine milk xanthine oxidase using xanthine as substrate preincubated for 30 mins followed by substrate addition measured for 200 secs ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetXanthine dehydrogenase/oxidase(Human)
Tripura University

Curated by ChEMBL
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Affinity DataIC50: 1.57E+5nMAssay Description:Inhibition of xanthine oxidase (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Tripura University

Curated by ChEMBL
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Affinity DataIC50: 1.78E+5nMAssay Description:Inhibition of SARS-CoV-2 PLpro using Ubiquitin-AMC as substrate by continuous kinetic assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetAngiotensin-converting enzyme(Human)
Tripura University

Curated by ChEMBL
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Affinity DataIC50: 2.24E+6nMAssay Description:Inhibition of ACE (unknown origin) using Hippuryo-histidyl-leucine as substrate incubated for 40 mins by absorbance based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed