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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
6
hits in this display
Target
Collagenase 3
(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center
Curated by
PubChem BioAssay
Ligand
BDBM50247213
(3-ethyl-4-(1-(furan-2-ylmethyl)-2,6-dimethylpyridi...)
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Affinity Data
IC50: 8.08E+3nM
Assay Description:
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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Target
Collagenase 3
(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center
Curated by
PubChem BioAssay
Ligand
BDBM50247213
(3-ethyl-4-(1-(furan-2-ylmethyl)-2,6-dimethylpyridi...)
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Copy InChI
Affinity Data
IC50: 8.10E+3nM
Assay Description:
Inhibition of human recombinant MMP13 expressed in Escherichia coli
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
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CHEMBL
PC cid
PC sid
In Depth
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Article
PubMed
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Target
Oxytocin receptor
(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center
Curated by
PubChem BioAssay
Ligand
BDBM50247213
(3-ethyl-4-(1-(furan-2-ylmethyl)-2,6-dimethylpyridi...)
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Affinity Data
EC50: 1.67E+4nM
Assay Description:
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
Ligand Info
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Target
Vasopressin V1a receptor
(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center
Curated by
PubChem BioAssay
Ligand
BDBM50247213
(3-ethyl-4-(1-(furan-2-ylmethyl)-2,6-dimethylpyridi...)
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Affinity Data
EC50: 1.05E+4nM
Assay Description:
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
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Target
Heat shock factor protein 1
(Mus musculus)
Broad Institute
Curated by
PubChem BioAssay
Ligand
BDBM50247213
(3-ethyl-4-(1-(furan-2-ylmethyl)-2,6-dimethylpyridi...)
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Affinity Data
EC50: >1.95E+5nM
Assay Description:
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...
More data for this Ligand-Target Pair
Target Info
PDB
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KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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Target
Importin subunit alpha-1
(Homo sapiens (Human))
Broad Institute
Curated by
PubChem BioAssay
Ligand
BDBM50247213
(3-ethyl-4-(1-(furan-2-ylmethyl)-2,6-dimethylpyridi...)
Copy SMILES
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Affinity Data
EC50: 1.07E+4nM
Assay Description:
Keywords: Counterscreen, FRET assay, HTS, YIC probe, Dose response, Assay Overview: This is a fluorescence resonance energy transfer (FRET)-based b...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
Ligand Info
Purchase
CHEMBL
PC cid
PC sid
In Depth
Details
PCBioAssay
Copy BDB DOI