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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
9
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Target
Toll-like receptor 9
(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center
Curated by
PubChem BioAssay
Ligand
BDBM63203
(2-[2-[(Z)-2-nitroethenyl]phenoxy]acetic acid ethyl...)
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Affinity Data
IC50: 4.87E+3nM
Assay Description:
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...
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Target Info
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Target
DNA damage-inducible transcript 3 protein
(Mus musculus)
Emory University
Curated by
PubChem BioAssay
Ligand
BDBM63203
(2-[2-[(Z)-2-nitroethenyl]phenoxy]acetic acid ethyl...)
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Affinity Data
IC50: >1.00E+4nM
Assay Description:
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...
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Target Info
KEGG
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Target
X-box-binding protein 1
(Homo sapiens (Human))
Emory University
Curated by
PubChem BioAssay
Ligand
BDBM63203
(2-[2-[(Z)-2-nitroethenyl]phenoxy]acetic acid ethyl...)
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Affinity Data
IC50: 1.00E+4nM
Assay Description:
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...
More data for this Ligand-Target Pair
Target Info
PDB
KEGG
UniProtKB/SwissProt
antibodypedia
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Target
DNA damage-inducible transcript 3 protein
(Mus musculus)
Emory University
Curated by
PubChem BioAssay
Ligand
BDBM63203
(2-[2-[(Z)-2-nitroethenyl]phenoxy]acetic acid ethyl...)
Copy SMILES
Copy InChI
Affinity Data
IC50: >1.00E+4nM
Assay Description:
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...
More data for this Ligand-Target Pair
Target Info
KEGG
UniProtKB/SwissProt
GoogleScholar
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Target
Beta-lactamase
(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center
Curated by
PubChem BioAssay
Ligand
BDBM63203
(2-[2-[(Z)-2-nitroethenyl]phenoxy]acetic acid ethyl...)
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Affinity Data
IC50: >4.97E+4nM
Assay Description:
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
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Target
Integrin alpha-4
(Homo sapiens (Human))
Nmmlsc
Curated by
PubChem BioAssay
Ligand
BDBM63203
(2-[2-[(Z)-2-nitroethenyl]phenoxy]acetic acid ethyl...)
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Affinity Data
EC50: 2.45E+3nM
Assay Description:
University of New Mexico Assay Overview: Assay Support Project Title:HTS for Identification of VLA-4 Allosteric Modulators 1 R01 HL081062-01 PI:Lar...
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Target Info
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Target
Bcl-2-like protein 11
(Homo sapiens (Human))
Broad Institute
Curated by
PubChem BioAssay
Ligand
BDBM63203
(2-[2-[(Z)-2-nitroethenyl]phenoxy]acetic acid ethyl...)
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Affinity Data
EC50: 5.86E+3nM
Assay Description:
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...
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Target Info
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KEGG
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Target
Heat shock factor protein 1
(Mus musculus)
Broad Institute
Curated by
PubChem BioAssay
Ligand
BDBM63203
(2-[2-[(Z)-2-nitroethenyl]phenoxy]acetic acid ethyl...)
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Affinity Data
EC50: 4.03E+3nM
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
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Target
Integrin alpha-4
(Homo sapiens (Human))
Nmmlsc
Curated by
PubChem BioAssay
Ligand
BDBM63203
(2-[2-[(Z)-2-nitroethenyl]phenoxy]acetic acid ethyl...)
Copy SMILES
Copy InChI
Affinity Data
EC50: 335nM
Assay Description:
University of New Mexico Assay Overview: Assay Support: 1 R01 HL081062-01 Project Title: HTS for Identification of VLA-4 Allosteric Modulators (ML...
More data for this Ligand-Target Pair
Target Info
PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
PC cid
PC sid
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In Depth
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PCBioAssay
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