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Compile Data Set for Download or QSAR
maximum 50k data
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
5
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Target
3C-like protease
(Avian infectious bronchitis virus)
The Scripps Research Institute Molecular Screening Center
Curated by
PubChem BioAssay
Ligand
BDBM47876
(4-(4-phenylpiperazin-1-yl)carbonyl-1H-quinolin-2-o...)
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Affinity Data
IC50: 9.95E+3nM
Assay Description:
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...
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Target Info
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MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
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PCBioAssay
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Target
Replicase polyprotein 1ab
(2019-nCoV)
Israel Institution of Biological Research
Ligand
BDBM47876
(4-(4-phenylpiperazin-1-yl)carbonyl-1H-quinolin-2-o...)
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Affinity Data
IC50: 1.04E+4nM
Assay Description:
The assay was performed according to the published procedure. Briefly, compounds were seeded into assay-ready plates (Greiner 384PP, cat# 781280) usi...
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Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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PDB
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PDB
3D Structure (crystal)
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Target
Replicase polyprotein 1ab
(2019-nCoV)
Israel Institution of Biological Research
Ligand
BDBM47876
(4-(4-phenylpiperazin-1-yl)carbonyl-1H-quinolin-2-o...)
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Affinity Data
IC50: 2.75E+4nM
Assay Description:
Compounds were seeded into assay-ready plates (Greiner 384 low volume, cat. no. 784900) using an Echo 555 acoustic dispenser, and dimethyl sulfoxide ...
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
PDB
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PubMed
PDB
3D Structure (crystal)
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Target
Replicase polyprotein 1ab
(2019-nCoV)
Israel Institution of Biological Research
Ligand
BDBM47876
(4-(4-phenylpiperazin-1-yl)carbonyl-1H-quinolin-2-o...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 2.75E+4nM
Assay Description:
Compounds were seeded into assay-ready plates (Greiner 384 low volume, cat 784900) using an Echo 555 acoustic dispenser, and DMSO was back-filled for...
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
PDB
Similars
In Depth
Details
PDB
3D Structure (crystal)
Copy BDB DOI
Target
Serine protease 1
(Homo sapiens (Human))
Israel Institution of Biological Research
Ligand
BDBM47876
(4-(4-phenylpiperazin-1-yl)carbonyl-1H-quinolin-2-o...)
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Copy InChI
Affinity Data
IC50: 9.90E+4nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
Ligand Info
Purchase
PC cid
PC sid
PDB
Similars
In Depth
Details
Copy BDB DOI