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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
9
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Target
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center
Curated by
PubChem BioAssay
Ligand
BDBM31053
(8-fluoranyl-4-[4-(3-methoxyphenyl)-3-methyl-pipera...)
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Affinity Data
IC50: 866nM
pH: 7.4 T: 2°C
Assay Description:
A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...
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Target
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center
Curated by
PubChem BioAssay
Ligand
BDBM31053
(8-fluoranyl-4-[4-(3-methoxyphenyl)-3-methyl-pipera...)
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Affinity Data
IC50: 934nM
Assay Description:
External Assay ID: S1P3_IC50_CS_5H1E_Antagonists Name: S1P3 Dose Response Assay Counterscreen for 5-Hydroxytryptamine(Serotonin) Receptor Subtype 1E ...
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Target Info
PDB
NCI pathway
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KEGG
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antibodypedia
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Target
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2)
(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center
Curated by
PubChem BioAssay
Ligand
BDBM31053
(8-fluoranyl-4-[4-(3-methoxyphenyl)-3-methyl-pipera...)
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Affinity Data
IC50: 1.04E+3nM
Assay Description:
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...
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Target Info
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MMDB
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Target
Steroidogenic factor 1
(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center
Curated by
PubChem BioAssay
Ligand
BDBM31053
(8-fluoranyl-4-[4-(3-methoxyphenyl)-3-methyl-pipera...)
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Affinity Data
IC50: 1.44E+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
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MMDB
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Target
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2)
(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center
Curated by
PubChem BioAssay
Ligand
BDBM31053
(8-fluoranyl-4-[4-(3-methoxyphenyl)-3-methyl-pipera...)
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Affinity Data
IC50: 1.53E+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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
Ligand Info
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PC sid
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Target
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center
Curated by
PubChem BioAssay
Ligand
BDBM31053
(8-fluoranyl-4-[4-(3-methoxyphenyl)-3-methyl-pipera...)
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Affinity Data
IC50: 1.82E+3nM
pH: 7.4 T: 2°C
Assay Description:
To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...
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Target Info
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Target
Steroidogenic factor 1
(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center
Curated by
PubChem BioAssay
Ligand
BDBM31053
(8-fluoranyl-4-[4-(3-methoxyphenyl)-3-methyl-pipera...)
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Affinity Data
IC50: 2.07E+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
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KEGG
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Target
Streptokinase A
(Streptococcus pyogenes M1 GAS)
Broad Institute
Curated by
PubChem BioAssay
Ligand
BDBM31053
(8-fluoranyl-4-[4-(3-methoxyphenyl)-3-methyl-pipera...)
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Affinity Data
EC50: 1.53E+4nM
Assay Description:
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...
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Target
Integrin alpha-4
(Homo sapiens (Human))
Nmmlsc
Curated by
PubChem BioAssay
Ligand
BDBM31053
(8-fluoranyl-4-[4-(3-methoxyphenyl)-3-methyl-pipera...)
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Affinity Data
EC50: 8.78E+3nM
Assay Description:
Assay Support: 1 X01 MH077638-01 MLSCN Assay for Allosteric Ligands for the VLA-4 Integrin PI: SKLAR, LARRY A University of New Mexico Assay Overview...
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Target Info
PDB
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