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Compile Data Set for Download or QSAR
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
28
hits in this display
Target
Replicase polyprotein 1ab
(2019-nCoV)
Texas A&M University
Ligand
BDBM419133
(BDBM429386 | GC376)
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Affinity Data
Ki: 30nM IC50: 31nM
Assay Description:
The assays were carried out with 20 nM enzyme (except for MPI3, for which 10 nM enzyme was used) and 10 μM substrate at 37oC with continuous sha...
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Target
Replicase polyprotein 1ab
(2019-nCoV)
Texas A&M University
Ligand
BDBM419133
(BDBM429386 | GC376)
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Affinity Data
Ki: 60nM
Assay 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...
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Target Info
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MMDB
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Target
Replicase polyprotein 1ab
(2019-nCoV)
Texas A&M University
Ligand
BDBM419133
(BDBM429386 | GC376)
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Affinity Data
Ki: 94nM
Assay Description:
Inhibitory activity against Dihydrofolate reductase enzyme purified from rat liver.
More data for this Ligand-Target Pair
Target Info
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MMDB
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Target
Procathepsin L
(Homo sapiens (Human))
University Of Alberta Edmonton
Curated by
ChEMBL
Ligand
BDBM419133
(BDBM429386 | GC376)
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Affinity Data
IC50: 0.25nM
Assay Description:
Inhibition of human cathepsin L
More data for this Ligand-Target Pair
Target Info
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Target
Cathepsin K
(Homo sapiens (Human))
Shandong University
Curated by
ChEMBL
Ligand
BDBM419133
(BDBM429386 | GC376)
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Affinity Data
IC50: 0.560nM
Assay Description:
Inhibition of human Cathepsin K using Ac-LR-AMC as fluorogenic substrate incubated for 60 mins by FRET assay
More data for this Ligand-Target Pair
Target Info
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Target
Cathepsin S
(Homo sapiens (Human))
University Of Alberta Edmonton
Curated by
ChEMBL
Ligand
BDBM419133
(BDBM429386 | GC376)
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Affinity Data
IC50: 23nM
Assay Description:
Inhibition of human cathepsin S
More data for this Ligand-Target Pair
Target Info
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Target
Replicase polyprotein 1ab
(2019-nCoV)
Texas A&M University
Ligand
BDBM419133
(BDBM429386 | GC376)
Copy SMILES
Copy InChI
Affinity Data
IC50: 30nM
Assay 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
Target Info
PDB
MMDB
NCI pathway
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KEGG
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B.MOAD
DrugBank
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Target
Replicase polyprotein 1ab
(2019-nCoV)
Texas A&M University
Ligand
BDBM419133
(BDBM429386 | GC376)
Copy SMILES
Copy InChI
Affinity Data
IC50: 30nM
Assay Description:
Inhibition of SARS-CoV-2 MPro
More data for this Ligand-Target Pair
Target Info
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MMDB
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Target
Replicase polyprotein 1ab
(2019-nCoV)
Texas A&M University
Ligand
BDBM419133
(BDBM429386 | GC376)
Copy SMILES
Copy InChI
Affinity Data
IC50: 30nM
Assay Description:
Inhibition of SARS-CoV-2 (BetaCoV/Wuhan/WIV04/2019) MPro expressed in Escherichia coli using FRET susbtrate measured after 1 hr
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
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KEGG
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B.MOAD
DrugBank
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Target
Replicase polyprotein 1ab
(2019-nCoV)
Texas A&M University
Ligand
BDBM419133
(BDBM429386 | GC376)
Copy SMILES
Copy InChI
Affinity Data
IC50: 30nM
Assay Description:
Inhibition of SARS CoV-2 main protease expressed in Escherichia coli BL21 (DE3) using Dabcyl-KTSAVLQ/SGFRKME-Edans as substrate preincubated for 30 m...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
Ligand Info
Purchase
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In Depth
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PubMed
Copy BDB DOI
Target
Replicase polyprotein 1ab
(2019-nCoV)
Texas A&M University
Ligand
BDBM419133
(BDBM429386 | GC376)
Copy SMILES
Copy InChI
Affinity Data
IC50: 30nM
Assay Description:
Inhibition of SARS-CoV-2 main protease
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
Ligand Info
Purchase
PC cid
PC sid
In Depth
Details
PubMed
Copy BDB DOI
Target
Replicase polyprotein 1ab
(2019-nCoV)
Texas A&M University
Ligand
BDBM419133
(BDBM429386 | GC376)
Copy SMILES
Copy InChI
Affinity Data
IC50: 30nM
Assay Description:
Inhibition of SARS-CoV-2 MPro
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
Ligand Info
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PC cid
PC sid
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PubMed
Copy BDB DOI
Target
Replicase polyprotein 1ab
(2019-nCoV)
Texas A&M University
Ligand
BDBM419133
(BDBM429386 | GC376)
Copy SMILES
Copy InChI
Affinity Data
IC50: 33nM
Assay Description:
Inhibition of SARS-CoV-2 main protease using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as fluorescent substrate preincubated for 10 mins followed by substrate ad...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
Ligand Info
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PC cid
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PubMed
Copy BDB DOI
Target
Cathepsin F
(Homo sapiens (Human))
Shandong University
Curated by
ChEMBL
Ligand
BDBM419133
(BDBM429386 | GC376)
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Affinity Data
IC50: 74nM
Assay Description:
Inhibition of human Cathepsin F using Z-Phe-Arg-AMC as fluorogenic substrate incubated for 60 mins by FRET assay
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
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PC cid
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In Depth
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PubMed
Copy BDB DOI
Target
Replicase polyprotein 1ab
(2019-nCoV)
Texas A&M University
Ligand
BDBM419133
(BDBM429386 | GC376)
Copy SMILES
Copy InChI
Affinity Data
IC50: 190nM
Assay Description:
Inhibitory activity against Dihydrofolate reductase enzyme purified from rat liver.
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
Ligand Info
Purchase
PC cid
PC sid
In Depth
Details
PubMed
Copy BDB DOI
Target
Replicase polyprotein 1ab
(2019-nCoV)
Texas A&M University
Ligand
BDBM419133
(BDBM429386 | GC376)
Copy SMILES
Copy InChI
Affinity Data
IC50: 190nM
Assay Description:
Inhibition of SARS-CoV-2 3CL protease by FRET assay
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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PubMed
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Target
Orf1a protein
(MERS-CoV)
Wichita State University
Ligand
BDBM419133
(BDBM429386 | GC376)
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Affinity Data
IC50: 410nM
Assay Description:
The expression and purification of the 3CLpro of MERS-CoV and SARS-CoV were performed by a standard method described previously by our lab (11, 19, 2...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
Ligand Info
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PC cid
PC sid
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Article
PubMed
Copy BDB DOI
Target
Replicase polyprotein 1ab
(2019-nCoV)
Texas A&M University
Ligand
BDBM419133
(BDBM429386 | GC376)
Copy SMILES
Copy InChI
Affinity Data
IC50: 460nM
Assay Description:
Inhibition of MBP tagged recombinant SARS-CoV-2 main protease using DABCYL-KTSAVLeu(13C6,15N)-Q as substrate incubated for 2 to 3 hrs by mass spectro...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
Ligand Info
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PC sid
In Depth
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PubMed
Copy BDB DOI
Target
Replicase polyprotein 1ab
(2019-nCoV)
Texas A&M University
Ligand
BDBM419133
(BDBM429386 | GC376)
Copy SMILES
Copy InChI
Affinity Data
IC50: 620nM
Assay Description:
The expression and purification of the 3CLpro of MERS-CoV and SARS-CoV were performed by a standard method described previously by our lab (11, 19, 2...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
Ligand Info
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PC cid
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In Depth
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Article
PubMed
Copy BDB DOI
Target
Procathepsin L
(Homo sapiens (Human))
University Of Alberta Edmonton
Curated by
ChEMBL
Ligand
BDBM419133
(BDBM429386 | GC376)
Copy SMILES
Copy InChI
Affinity Data
IC50: 990nM
Assay Description:
Inhibition of human Cathepsin L using Z-Leu-Arg-AMC as fluorogenic substrate incubated for 60 mins by FRET assay
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
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KEGG
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antibodypedia
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Target
Cathepsin B
(Homo sapiens (Human))
University Of Alberta Edmonton
Curated by
ChEMBL
Ligand
BDBM419133
(BDBM429386 | GC376)
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Affinity Data
IC50: 1.40E+3nM
Assay Description:
Inhibition of human cathepsin B
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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Target
Replicase polyprotein 1a
(Human SARS coronavirus (SARS-CoV))
Wichita State University
Ligand
BDBM419133
(BDBM429386 | GC376)
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Affinity Data
IC50: 2.20E+3nM
Assay Description:
The expression and purification of the 3CLpro of MERS-CoV and SARS-CoV were performed by a standard method described previously by our lab (11, 19, 2...
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
Ligand Info
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PC cid
PC sid
In Depth
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Article
PubMed
Copy BDB DOI
Target
Replicase polyprotein 1ab
(2019-nCoV)
Texas A&M University
Ligand
BDBM419133
(BDBM429386 | GC376)
Copy SMILES
Copy InChI
Affinity Data
IC50: 4.35E+3nM
Assay 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
Target Info
PDB
MMDB
NCI pathway
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KEGG
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Target
Trypsin
(Homo sapiens (Human))
The University Of Arizona
Curated by
ChEMBL
Ligand
BDBM419133
(BDBM429386 | GC376)
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Affinity Data
IC50: >5.00E+4nM
Assay Description:
Covalent inhibition of trypsin (unknown origin) incubated for 1 hr by FRET-based enzymatic assay
More data for this Ligand-Target Pair
Target Info
PDB
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KEGG
UniProtKB/SwissProt
antibodypedia
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PubMed
Copy BDB DOI
Target
Replicase polyprotein 1ab
(2019-nCoV)
Texas A&M University
Ligand
BDBM419133
(BDBM429386 | GC376)
Copy SMILES
Copy InChI
Affinity Data
IC50: >5.00E+4nM
Assay Description:
Covalent inhibition of SARS-Cov-2 PLpro incubated for 30 mins using FRET substrate measured for 1 hr by FRET-based enzymatic assay
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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PC cid
PC sid
In Depth
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PubMed
Copy BDB DOI
Target
Replicase polyprotein 1ab
(2019-nCoV)
Texas A&M University
Ligand
BDBM419133
(BDBM429386 | GC376)
Copy SMILES
Copy InChI
Affinity Data
IC50: >6.00E+4nM
Assay Description:
Non-covalent inhibition of SARS-Cov-2 PLpro incubated for 30 mins using FRET substrate measured for 1 hr by FRET-based enzymatic assay
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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B.MOAD
DrugBank
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Target
Replicase polyprotein 1ab
(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
University of Bonn
Ligand
BDBM419133
(BDBM429386 | GC376)
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Affinity Data
EC50: 9.00E+3nM
Assay Description:
This is a review article.
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Target Info
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Target
Orf1a protein
(MERS-CoV)
Wichita State University
Ligand
BDBM419133
(BDBM429386 | GC376)
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Affinity Data
EC50: 900nM
Assay Description:
Some compounds in the 6a to 6k and 7a to 7k series were also investigated for their antiviral activity against the replication of MERS-CoV, FIPV, or ...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
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PC cid
PC sid
In Depth
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Article
PubMed
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