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Compile Data Set for Download or QSAR
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Found
15
Enz. Inhib. hit(s) with all data for entry = 50021985
Target
Replicase polyprotein 1ab
(2019-nCoV)
Vanderbilt University
Curated by
ChEMBL
Ligand
BDBM50646774
(CHEMBL5594917)
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Copy InChI
Affinity Data
Kd: 4.00E+5nM
More data for this Ligand-Target Pair
Target Info
PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
Ligand Info
In Depth
Date in BDB:
10/12/2025
Entry Details
Copy Entry DOI
PubMed
Copy Rxn URL
Target
Replicase polyprotein 1ab
(2019-nCoV)
Vanderbilt University
Curated by
ChEMBL
Ligand
BDBM50646775
(CHEMBL5592575)
Copy SMILES
Copy InChI
Affinity Data
Kd: 3.00E+5nM
More data for this Ligand-Target Pair
Target Info
PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
Ligand Info
PDB
In Depth
Date in BDB:
10/12/2025
Entry Details
Copy Entry DOI
PubMed
Copy Rxn URL
Target
Replicase polyprotein 1ab
(2019-nCoV)
Vanderbilt University
Curated by
ChEMBL
Ligand
BDBM50646776
(CHEMBL5593549)
Copy SMILES
Copy InChI
Affinity Data
Kd: 3.80E+5nM
More data for this Ligand-Target Pair
Target Info
PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
Ligand Info
In Depth
Date in BDB:
10/12/2025
Entry Details
Copy Entry DOI
PubMed
Copy Rxn URL
Target
Replicase polyprotein 1ab
(2019-nCoV)
Vanderbilt University
Curated by
ChEMBL
Ligand
BDBM50646777
(CHEMBL5595707)
Copy SMILES
Copy InChI
Affinity Data
Kd: 4.50E+5nM
More data for this Ligand-Target Pair
Target Info
PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
Ligand Info
PDB
In Depth
Date in BDB:
10/12/2025
Entry Details
Copy Entry DOI
PubMed
Copy Rxn URL
Target
Replicase polyprotein 1ab
(2019-nCoV)
Vanderbilt University
Curated by
ChEMBL
Ligand
BDBM50646778
(CHEMBL5592868)
Copy SMILES
Copy InChI
Affinity Data
Kd: 5.00E+5nM
More data for this Ligand-Target Pair
Target Info
PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
Ligand Info
In Depth
Date in BDB:
10/12/2025
Entry Details
Copy Entry DOI
PubMed
Copy Rxn URL
Target
Replicase polyprotein 1ab
(2019-nCoV)
Vanderbilt University
Curated by
ChEMBL
Ligand
BDBM28806
(5-methyl-N-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]...)
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Affinity Data
Kd: 2.50E+5nM
More data for this Ligand-Target Pair
Target Info
PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
Ligand Info
Purchase
PC cid
PC sid
Similars
In Depth
Date in BDB:
10/12/2025
Entry Details
Copy Entry DOI
PubMed
Copy Rxn URL
Target
Replicase polyprotein 1ab
(2019-nCoV)
Vanderbilt University
Curated by
ChEMBL
Ligand
BDBM50646779
(CHEMBL5594844)
Copy SMILES
Copy InChI
Affinity Data
Kd: 2.80E+5nM
More data for this Ligand-Target Pair
Target Info
PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
Ligand Info
In Depth
Date in BDB:
10/12/2025
Entry Details
Copy Entry DOI
PubMed
Copy Rxn URL
Target
Replicase polyprotein 1ab
(2019-nCoV)
Vanderbilt University
Curated by
ChEMBL
Ligand
BDBM50646780
(CHEMBL1874417)
Copy SMILES
Copy InChI
Affinity Data
Kd: 3.30E+5nM
More data for this Ligand-Target Pair
Target Info
PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
Ligand Info
PDB
In Depth
Date in BDB:
10/12/2025
Entry Details
Copy Entry DOI
PubMed
Copy Rxn URL
Target
Replicase polyprotein 1ab
(2019-nCoV)
Vanderbilt University
Curated by
ChEMBL
Ligand
BDBM50646781
(CHEMBL1342478)
Copy SMILES
Copy InChI
Affinity Data
Kd: 3.50E+5nM
More data for this Ligand-Target Pair
Target Info
PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
Ligand Info
In Depth
Date in BDB:
10/12/2025
Entry Details
Copy Entry DOI
PubMed
Copy Rxn URL
Target
Replicase polyprotein 1ab
(2019-nCoV)
Vanderbilt University
Curated by
ChEMBL
Ligand
BDBM50646782
(CHEMBL1396761)
Copy SMILES
Copy InChI
Affinity Data
Kd: 6.60E+5nM
More data for this Ligand-Target Pair
Target Info
PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
Ligand Info
In Depth
Date in BDB:
10/12/2025
Entry Details
Copy Entry DOI
PubMed
Copy Rxn URL
Target
Replicase polyprotein 1ab
(2019-nCoV)
Vanderbilt University
Curated by
ChEMBL
Ligand
BDBM686059
(US20240245673, Example 211)
Copy SMILES
Copy InChI
Affinity Data
IC50: 10nM
More data for this Ligand-Target Pair
Target Info
PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
Ligand Info
PC cid
PC sid
Similars
In Depth
Date in BDB:
10/12/2025
Entry Details
Copy Entry DOI
PubMed
Copy Rxn URL
Target
Replicase polyprotein 1ab
(2019-nCoV)
Vanderbilt University
Curated by
ChEMBL
Ligand
BDBM50598138
(CHEMBL5204399)
Copy SMILES
Copy InChI
Affinity Data
IC50: 10nM
More data for this Ligand-Target Pair
Target Info
PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
Ligand Info
PC cid
PC sid
Similars
In Depth
Date in BDB:
10/12/2025
Entry Details
Copy Entry DOI
PubMed
Copy Rxn URL
Target
Replicase polyprotein 1ab
(2019-nCoV)
Vanderbilt University
Curated by
ChEMBL
Ligand
BDBM50646783
(CHEMBL5594543)
Copy SMILES
Copy InChI
Affinity Data
IC50: 110nM
More data for this Ligand-Target Pair
Target Info
PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
Ligand Info
In Depth
Date in BDB:
10/12/2025
Entry Details
Copy Entry DOI
PubMed
Copy Rxn URL
Target
Replicase polyprotein 1ab
(2019-nCoV)
Vanderbilt University
Curated by
ChEMBL
Ligand
BDBM31524
(Naphthalene and Benzamide Derivative, 25 | 5-amino...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 3.00E+3nM
More data for this Ligand-Target Pair
Target Info
PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
Ligand Info
Purchase
ChEBI
DrugBank
PC cid
PC sid
Similars
In Depth
Date in BDB:
10/12/2025
Entry Details
Copy Entry DOI
PubMed
Copy Rxn URL
Target
Replicase polyprotein 1ab
(2019-nCoV)
Vanderbilt University
Curated by
ChEMBL
Ligand
BDBM31524
(Naphthalene and Benzamide Derivative, 25 | 5-amino...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 3.00E+3nM
More data for this Ligand-Target Pair
Target Info
PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
Ligand Info
Purchase
ChEBI
DrugBank
PC cid
PC sid
Similars
In Depth
Date in BDB:
10/12/2025
Entry Details
Copy Entry DOI
PubMed
Copy Rxn URL