Compile Data Set for Download or QSAR
Report error Found 37 Enz. Inhib. hit(s) with all data for entry = 50018330
TargetSpike glycoprotein(2019-nCoV)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50422744(CHEMBL5281974)
Affinity DataKd:  4.60E+4nMAssay Description:Binding affinity to SARS-COV-2 spike protein S2 subunit assessed as inhibition S2 subunit HR1 assessed as dissociation constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetProcathepsin L(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50552672(CHEMBL4790628)
Affinity DataIC50: 0nMAssay Description:Inhibition of human recombinant Cathepsin L assessed as Kinact using Z-FR-AMC as substrate incubated for 30 mins by fluorometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetProcathepsin L(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50229129(4-methyl-N-((S)-1-oxo-3-phenyl-1-((S)-5-phenyl-1-(...)
Affinity DataIC50: 0.680nMAssay Description:Inhibition of human recombinant Cathepsin L assessed as Kinact using Z-FR-AMC as substrate incubated for 30 mins by fluorometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetAngiotensin-converting enzyme 2(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50421866(CHEMBL5281591)
Affinity DataIC50: 1nMAssay Description:Inhibition of human recombinant ACE2 at 50 uM using (7Mca-Y-V-A- D -A-P- K(Knp) as a flurogenic substrate measured after 10 mins by fluorescence base...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetAngiotensin-converting enzyme 2(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50421871(CHEMBL5273921)
Affinity DataIC50: 1.90nMAssay Description:Inhibition of SARS-CoV S binding to human recombinant ACE2 expressed in Escherichia coli BL21(DE3) incubated for 2 hrs by ELISA methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetProcathepsin L(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50073850([(S)-1-(1-Benzyl-2-oxo-ethylcarbamoyl)-2-methyl-pr...)
Affinity DataIC50: 2.5nMAssay Description:Inhibition of human recombinant Cathepsin L assessed as Kinact using Z-FR-AMC as substrate incubated for 30 mins by fluorometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetAngiotensin-converting enzyme 2(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50421869(CHEMBL5277148)
Affinity DataIC50: 4.30nMAssay Description:Inhibition of SARS-CoV S binding to human recombinant ACE2 expressed in Escherichia coli BL21(DE3) incubated for 2 hrs by ELISA methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetProcathepsin L(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM51395(tert-butyl N-[(2S)-1-[2-[2-(3,4-dihydro-2H-quinoli...)
Affinity DataIC50: 6.90nMAssay Description:Inhibition of human recombinant Cathepsin L assessed as Kinact using Z-FR-AMC as substrate incubated for 30 mins by fluorometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetAngiotensin-converting enzyme 2(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50421870(CHEMBL5281306)
Affinity DataIC50: 7nMAssay Description:Inhibition of SARS-CoV S binding to human recombinant ACE2 expressed in Escherichia coli BL21(DE3) incubated for 2 hrs by ELISA methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetAngiotensin-converting enzyme 2(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50422743(CHEMBL5275219)
Affinity DataIC50: 10nMAssay Description:Inhibition of human ACE2 (unknown origin) at 0.5 uMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetProcathepsin L(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50374666(CHEMBL259450)
Affinity DataIC50: 56nMAssay Description:Inhibition of human recombinant Cathepsin L assessed as Kinact using Z-FR-AMC as substrate incubated for 30 mins by fluorometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetSpike glycoprotein(2019-nCoV)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50422742(CHEMBL5274408)
Affinity DataIC50: 100nMAssay Description:Binding affinity of SARS-COV2 S-RBD by BLI assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetAngiotensin-converting enzyme 2(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM429226(med.21724, Compound 11)
Affinity DataIC50: 100nMAssay Description:Inhibition of human recombinant ACE2 at 50 uM using (7Mca-Y-V-A- D -A-P- K(Knp) as a flurogenic substrate measured after 10 mins by fluorescence base...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetAngiotensin-converting enzyme 2(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM429240(med.21724, Compound 12)
Affinity DataIC50: 200nMAssay Description:Inhibition of human recombinant ACE2 at 50 uM using (7Mca-Y-V-A- D -A-P- K(Knp) as a flurogenic substrate measured after 10 mins by fluorescence base...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetAngiotensin-converting enzyme 2(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM429241(med.21724, Compound 13)
Affinity DataIC50: 440nMAssay Description:Inhibition of human recombinant ACE2 at 50 uM using (7Mca-Y-V-A- D -A-P- K(Knp) as a flurogenic substrate measured after 10 mins by fluorescence base...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetSpike glycoprotein(2019-nCoV)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50421867(CHEMBL216826)
Affinity DataIC50: 600nMAssay Description:Inhibition of SARS-COV2 spike protein mediated infection of human ACE2 expressing cells at 50 uM by SPR analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetAngiotensin-converting enzyme 2(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50421865(CHEMBL5270175)
Affinity DataIC50: 700nMAssay Description:Inhibition of SARS-COV2 S-RBD binding to human ACE2 expressed in HEK293T cells by NanoLuc luciferase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetAngiotensin-converting enzyme 2(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50467780(CHEBI:5801 | Hydroxychloroquine | med.21724, Compo...)
Affinity DataIC50: 720nMAssay Description:Inhibition of human recombinant ACE2 at 50 uM using (7Mca-Y-V-A- D -A-P- K(Knp) as a flurogenic substrate measured after 10 mins by fluorescence base...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetAngiotensin-converting enzyme 2(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM22985(Aralen | Chlorochin | CHLOROQUINE PHOSPHATE | Chlo...)
Affinity DataIC50: 1.13E+3nMAssay Description:Inhibition of human recombinant ACE2 at 50 uM using (7Mca-Y-V-A- D -A-P- K(Knp) as a flurogenic substrate measured after 10 mins by fluorescence base...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetAngiotensin-converting enzyme 2(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM429290(med.21724, Compound 26)
Affinity DataIC50: 1.60E+3nMAssay Description:Inhibition of human recombinant ACE2More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetTyrosine-protein kinase ABL2(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataIC50: 2.10E+3nMAssay Description:Inhibition of ABL2 (unknown origin) by Nano-syn mobility shift assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetAngiotensin-converting enzyme 2(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM428874(med.21724, Compound 1)
Affinity DataIC50: 3.10E+3nMAssay Description:Inhibition of SARS-COV2 S-RBD binding to human ACE2 expressed in HEK293T cells by NanoLuc luciferase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetSpike glycoprotein(2019-nCoV)
Shandong University

Curated by ChEMBL
LigandPNGBDBM83797(ethyl 6-bromanyl-4-[(dimethylamino)methyl]-1-methy...)
Affinity DataIC50: 4.11E+3nMAssay Description:Inhibition of SARS-COV2 spike protein mediated infection of human ACE2 expressing cells at 50 uM by SPR analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetSpike glycoprotein(2019-nCoV)
Shandong University

Curated by ChEMBL
LigandPNGBDBM428875(med.21724, Compound 2)
Affinity DataIC50: 4.50E+3nMAssay Description:Inhibition of SARS-COV2 spike protein mediated infection of human ACE2 expressing cells at 50 uM by SPR analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetProcathepsin L(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50376204(CHEMBL401925 | med.21724, Compound 23)
Affinity DataIC50: 5.33E+3nMAssay Description:Inhibition of human recombinant Cathepsin L assessed as Kinact using Z-FR-AMC as substrate incubated for 30 mins by fluorometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetAngiotensin-converting enzyme 2(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50422742(CHEMBL5274408)
Affinity DataIC50: 6.00E+3nMAssay Description:Inhibition of human wild type full length ACE2 peptide assessed as inhibitionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetAngiotensin-converting enzyme 2(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM429289(med.21724, Compound 25)
Affinity DataIC50: 9.70E+3nMAssay Description:Inhibition of human recombinant ACE2More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetProcathepsin L(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50424712(Camostat Mesilate | Foipan | CAMOSTAT)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human recombinant Cathepsin L assessed as Kinact using Z-FR-AMC as substrate incubated for 30 mins by fluorometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetTyrosine-protein kinase ABL2(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM13530(cid_5291 | STI571 | N-(4-methyl-3-{[4-(pyridin-3-y...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of ABL2 (unknown origin) by Nano-syn mobility shift assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetSpike glycoprotein(2019-nCoV)
Shandong University

Curated by ChEMBL
LigandPNGBDBM7459(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Affinity DataIC50: 1.06E+4nMAssay Description:Inhibition of SARS-COV2 spike protein mediated infection of human ACE2 expressing cells at 50 uM by SPR analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetAngiotensin-converting enzyme 2(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50421872(CHEMBL5284169)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of human wild type full length ACE2 peptide assessed as inhibitionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetAngiotensin-converting enzyme 2(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50233798(N-(2-aminoethyl)-1-aziridine-ethanamine | CHEMBL39...)
Affinity DataIC50: 5.70E+4nMAssay Description:Inhibition of human recombinant ACE2 at 50 uM using (7Mca-Y-V-A- D -A-P- K(Knp) as a flurogenic substrate measured after 10 mins by fluorescence base...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetProcathepsin L(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50421868(CHEMBL5270779)
Affinity DataIC50: 7.50E+4nMAssay Description:Inhibition of human recombinant Cathepsin L assessed as Kinact using Z-FR-AMC as substrate incubated for 30 mins by fluorometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetSpike glycoprotein(2019-nCoV)
Shandong University

Curated by ChEMBL
LigandPNGBDBM7460(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromone;...)
Affinity DataIC50: 8.34E+4nMAssay Description:Inhibition of SARS-COV2 spike protein mediated infection of human ACE2 expressing cells at 50 uM by SPR analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetAngiotensin-converting enzyme 2(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM11318(1,3,8-trihydroxy-6-methylanthra-9,10-quinone | CHE...)
Affinity DataIC50: 2.00E+5nMAssay Description:Inhibition of human recombinant ACE2More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetAngiotensin-converting enzyme 2(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50422743(CHEMBL5275219)
Affinity DataKi:  2.80nMAssay Description:Binding affinity to ACE2 (unknown origin) at 10 uM assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetAngiotensin-converting enzyme 2(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50233798(N-(2-aminoethyl)-1-aziridine-ethanamine | CHEMBL39...)
Affinity DataKi:  4.59E+5nMAssay Description:Binding affinity to ACE2 (unknown origin) at 10 uM assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed