Compile Data Set for Download or QSAR
Report error Found 11 Enz. Inhib. hit(s) with all data for entry = 50017750
TargetReplicase polyprotein 1ab(2019-nCoV)
Shionogi

Curated by ChEMBL
LigandPNGBDBM513874(bioRxiv20220126.477782, Screening Hit 2 | bioRxiv2...)
Affinity DataIC50: 13nMAssay Description:Inhibition of N-terminal 10-His-tagged SARS-CoV-2 3CL protease (1 to 306 residues) expressed in Escherichia coli BL21(DE3) using Dabcyl-KTSAVLQSGFRKM...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Shionogi

Curated by ChEMBL
LigandPNGBDBM513873(bioRxiv20220126.477782, Screening Hit 2)
Affinity DataIC50: 96nMAssay Description:Inhibition of N-terminal 10-His-tagged SARS-CoV-2 3CL protease (1 to 306 residues) expressed in Escherichia coli BL21(DE3) using Dabcyl-KTSAVLQSGFRKM...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Shionogi

Curated by ChEMBL
LigandPNGBDBM513872(bioRxiv20220126.477782, Screening Hit 1)
Affinity DataIC50: 8.60E+3nMAssay Description:Inhibition of N-terminal 10-His-tagged SARS-CoV-2 3CL protease (1 to 306 residues) expressed in Escherichia coli BL21(DE3) using Dabcyl-KTSAVLQSGFRKM...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCaspase-2(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM513874(bioRxiv20220126.477782, Screening Hit 2 | bioRxiv2...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human recombinant caspase 2 expressed in Escherichia coli using Z-VDVAD-AFC as substrate preincubated for 15 mins followed by substrate...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetChymotrypsinogen B2(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM513874(bioRxiv20220126.477782, Screening Hit 2 | bioRxiv2...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human pancreas chymotrypsin using Suc-Ala-Ala-Pro-Phe-AMC as substrate preincubated for 15 mins incubated followed by addition of subst...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCathepsin B(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM513874(bioRxiv20220126.477782, Screening Hit 2 | bioRxiv2...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human liver cathepsin B using Boc-Leu-Arg-Arg-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 3...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCathepsin D(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM513874(bioRxiv20220126.477782, Screening Hit 2 | bioRxiv2...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human liver cathepsin D using MOCAc-Gly-Lys-Pro-Ile-Leu-Phe-Phe-Arg-Leu-Lys(Dnp)-D-Arg-NH2 as substrate preincubated for 15 mins follow...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCathepsin G(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM513874(bioRxiv20220126.477782, Screening Hit 2 | bioRxiv2...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human neutrophil cathepsin G using Suc-Ala-Ala-Pro-Phe-AMC as substrate preincubated for 15 mins followed by addition of substrate meas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetProcathepsin L(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM513874(bioRxiv20220126.477782, Screening Hit 2 | bioRxiv2...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human liver cathepsin L using Z-Phe-Arg-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetProthrombin(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM513874(bioRxiv20220126.477782, Screening Hit 2 | bioRxiv2...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human plasma thrombin using Z-Gly-Pro-Arg-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Shionogi

Curated by ChEMBL
LigandPNGBDBM513874(bioRxiv20220126.477782, Screening Hit 2 | bioRxiv2...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of HIV-1 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed