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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
51
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Target
Beta-2 adrenergic receptor
(Homo sapiens (Human))
Institute Of Cell Signaling
Curated by
PDSP K
i
Database
Ligand
BDBM25769
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
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Affinity Data
Ki: 501nM
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Target
Beta-2 adrenergic receptor
(Homo sapiens (Human))
Institute Of Cell Signaling
Curated by
PDSP K
i
Database
Ligand
BDBM25769
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
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Affinity Data
Ki: 510nM ΔG°: -35.6kJ/mole IC50: 980nM EC50: 19nM
pH: 7.4 T: 2°C
Assay Description:
In the binding assays, the results were expressed as percent inhibition of the control radioligand specific binding. The IC50 values (concentration c...
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Target
Beta-2 adrenergic receptor
(Homo sapiens (Human))
Institute Of Cell Signaling
Curated by
PDSP K
i
Database
Ligand
BDBM25769
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
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Affinity Data
Ki: 1.83E+3nM
Assay Description:
Displacement of [125I]cyanopindolol from human recombinant beta2 adrenergic receptor expressed in CHO cells by filtration assay
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Target
Beta-2 adrenergic receptor
(Homo sapiens (Human))
Institute Of Cell Signaling
Curated by
PDSP K
i
Database
Ligand
BDBM25769
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
Copy SMILES
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Affinity Data
Ki: 2.17E+3nM
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Target
Beta-2 adrenergic receptor
(GUINEA PIG)
Ohio State University
Curated by
PDSP K
i
Database
Ligand
BDBM25769
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
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Affinity Data
Ki: 2.40E+3nM
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Target
Beta-1 adrenergic receptor
(Homo sapiens (Human))
UniversitÄT WÜRzburg
Curated by
PDSP K
i
Database
Ligand
BDBM25769
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
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Affinity Data
Ki: 2.44E+3nM
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Target
Beta-2 adrenergic receptor
(Homo sapiens (Human))
Institute Of Cell Signaling
Curated by
PDSP K
i
Database
Ligand
BDBM25769
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
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Affinity Data
Ki: 2.70E+3nM
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Target
Beta-2 adrenergic receptor
(Homo sapiens (Human))
Institute Of Cell Signaling
Curated by
PDSP K
i
Database
Ligand
BDBM50361247
(ALBUTEROL | LEVOSALBUTAMOL | Levalbuterol | Levoli...)
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Affinity Data
Ki: 3.80E+3nM
Assay Description:
Displacement of [3H]-DHA from recombinant human beta2 adrenoceptor expressed in HEK293T cells in presence of 100 uM boric acid
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Target
Beta-2 adrenergic receptor
(Homo sapiens (Human))
Institute Of Cell Signaling
Curated by
PDSP K
i
Database
Ligand
BDBM50361247
(ALBUTEROL | LEVOSALBUTAMOL | Levalbuterol | Levoli...)
Copy SMILES
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Affinity Data
Ki: 4.68E+3nM
Assay Description:
Displacement of [3H]-DHA from recombinant human beta2 adrenoceptor expressed in HEK293T cells in presence of 100 uM phenylboronic acid
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Target
Beta-2 adrenergic receptor
(Homo sapiens (Human))
Institute Of Cell Signaling
Curated by
PDSP K
i
Database
Ligand
BDBM50361247
(ALBUTEROL | LEVOSALBUTAMOL | Levalbuterol | Levoli...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 5.62E+3nM
Assay Description:
Displacement of [3H]-DHA from recombinant human beta2 adrenoceptor expressed in HEK293T cells
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Target
Beta-3 adrenergic receptor
(Homo sapiens (Human))
UniversitÄT WÜRzburg
Curated by
PDSP K
i
Database
Ligand
BDBM25769
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
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Affinity Data
Ki: >1.00E+4nM
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Target
Beta-2 adrenergic receptor
(GUINEA PIG)
Ohio State University
Curated by
PDSP K
i
Database
Ligand
BDBM25769
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
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Affinity Data
IC50: 17nM
Assay Description:
Agonist activity at beta2 adrenergic receptor in guinea pig tracheal strip assessed as inhibition of electrically-induced bronchocontractile response...
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Target
Beta-2 adrenergic receptor
(Homo sapiens (Human))
Institute Of Cell Signaling
Curated by
PDSP K
i
Database
Ligand
BDBM25769
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
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Affinity Data
IC50: 2.00E+3nM
Assay Description:
Displacement of [3H]dihydroalprenolol from beta2-adrenoceptor after 90 mins by liquid scintillation counting
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Target
Co-chaperonin GroES
(Escherichia coli)
Indiana University School Of Medicine
Curated by
ChEMBL
Ligand
BDBM25769
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
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Affinity Data
IC50: >1.00E+5nM
Assay Description:
Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed a...
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Target
60 kDa heat shock protein, mitochondrial
(Homo sapiens)
Indiana University School Of Medicine
Curated by
ChEMBL
Ligand
BDBM25769
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
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Affinity Data
IC50: >1.00E+5nM
Assay Description:
Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Roset...
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Target
Thiosulfate sulfurtransferase
(Homo sapiens)
Indiana University School Of Medicine
Curated by
ChEMBL
Ligand
BDBM25769
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
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Affinity Data
IC50: >1.00E+5nM
Assay Description:
Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...
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Target
ATP-binding cassette sub-family C member 2
(Homo sapiens (Human))
Amgen
Curated by
ChEMBL
Ligand
BDBM25769
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
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Affinity Data
IC50: >1.33E+5nM
Assay Description:
Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...
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Target
ATP-binding cassette sub-family C member 3
(Homo sapiens (Human))
Amgen
Curated by
ChEMBL
Ligand
BDBM25769
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
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Affinity Data
IC50: >1.33E+5nM
Assay Description:
Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...
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Target
Bile salt export pump
(Homo sapiens (Human))
Amgen
Curated by
ChEMBL
Ligand
BDBM25769
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
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Affinity Data
IC50: >1.33E+5nM
Assay Description:
Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...
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Target
ATP-binding cassette sub-family C member 4
(Homo sapiens (Human))
Amgen
Curated by
ChEMBL
Ligand
BDBM25769
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
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Affinity Data
IC50: >1.33E+5nM
Assay Description:
Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...
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Target
Chaperonin GroEL
(Escherichia coli)
Indiana University School Of Medicine
Curated by
ChEMBL
Ligand
BDBM25769
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
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Affinity Data
IC50: >2.50E+5nM
Assay Description:
Inhibition of ATPase activity of Escherichia coli GroEL expressed in Escherichia coliDH5alpha incubated for 60 mins using ATP by spectrometric analys...
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Target
Co-chaperonin GroES
(Escherichia coli)
Indiana University School Of Medicine
Curated by
ChEMBL
Ligand
BDBM25769
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
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Affinity Data
IC50: >2.50E+5nM
Assay Description:
Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed ...
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Target
Bile salt export pump
(Homo sapiens (Human))
Amgen
Curated by
ChEMBL
Ligand
BDBM25769
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
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Affinity Data
IC50: >1.00E+6nM
Assay Description:
Inhibition of recombinant human BSEP expressed in baculovirus infected sf21 cell membrane vesicles assessed as reduction in ATP-dependent [3H]-tauroc...
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Target
Bile salt export pump
(Homo sapiens (Human))
Amgen
Curated by
ChEMBL
Ligand
BDBM50240070
((S)-ALBUTEROL)
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Affinity Data
IC50: >1.00E+6nM
Assay Description:
Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...
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Target
Bile salt export pump
(Homo sapiens (Human))
Amgen
Curated by
ChEMBL
Ligand
BDBM25769
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
Copy SMILES
Copy InChI
Affinity Data
IC50: >1.00E+6nM
Assay Description:
Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...
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Target
Beta-2 adrenergic receptor
(Homo sapiens (Human))
Institute Of Cell Signaling
Curated by
PDSP K
i
Database
Ligand
BDBM25769
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
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Affinity Data
EC50: 0.110nM
Assay Description:
Agonist activity at beta2 adrenoceptor (unknown origin) expressed in HEK293 cells assessed as cAMP accumulation incubated for 60 mins by microplate r...
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Target
Beta-2 adrenergic receptor
(Homo sapiens (Human))
Institute Of Cell Signaling
Curated by
PDSP K
i
Database
Ligand
BDBM25769
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
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Affinity Data
Kd: 1nM
Assay Description:
Displacement of [3H]-CGP12,177 from immobilized Halo tag-fused beta2 adrenoceptor (unknown origin) expressed in Escherichia coli BL21 (DE3)
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Target
Beta-2 adrenergic receptor
(Homo sapiens (Human))
Institute Of Cell Signaling
Curated by
PDSP K
i
Database
Ligand
BDBM25769
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
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Affinity Data
EC50: 251nM
Assay Description:
Agonist activity at human beta2 adrenoceptor expressed in CHO cells assessed as increase in intracellular cAMP level incubated for 1 hr by alphascree...
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Target
Beta-1 adrenergic receptor
(Homo sapiens (Human))
UniversitÄT WÜRzburg
Curated by
PDSP K
i
Database
Ligand
BDBM25769
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
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Affinity Data
EC50: 1.17E+3nM
Assay Description:
Agonist activity at human beta1 adrenoceptor expressed in CHO cells assessed as increase in intracellular cAMP level incubated for 1 hr by alphascree...
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Target
Beta-2 adrenergic receptor
(Homo sapiens (Human))
Institute Of Cell Signaling
Curated by
PDSP K
i
Database
Ligand
BDBM25769
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
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Affinity Data
Kd: 1.40E+3nM
Assay Description:
Displacement of [3H]DHA from inactive/G protein-uncoupled human beta2-AR expressed in CHO cell membranes assessed as intrinsic Kd by liquid scintilla...
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Target
Beta-2 adrenergic receptor
(Homo sapiens (Human))
Institute Of Cell Signaling
Curated by
PDSP K
i
Database
Ligand
BDBM25769
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
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Affinity Data
Kd: 1.40E+3nM
Assay Description:
Displacement of [3H]DHA from inactive/G protein-uncoupled human beta2-AR expressed in CHO cell membranes assessed as intrinsic Kd by liquid scintilla...
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Target
Beta-2 adrenergic receptor
(Homo sapiens (Human))
Institute Of Cell Signaling
Curated by
PDSP K
i
Database
Ligand
BDBM25769
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
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Affinity Data
Kd: 220nM
Assay Description:
Displacement of [3H]DHA from inactive/G protein-uncoupled human beta2-AR expressed in CHO cell membranes by liquid scintillation counting
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Target
Beta-2 adrenergic receptor
(Homo sapiens (Human))
Institute Of Cell Signaling
Curated by
PDSP K
i
Database
Ligand
BDBM25769
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
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Affinity Data
Kd: 220nM
Assay Description:
Displacement of [3H]DHA from inactive/G protein-uncoupled human beta2-AR expressed in CHO cell membranes by liquid scintillation counting
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Target
Beta-2 adrenergic receptor
(BOVINE)
TBA
Curated by
ChEMBL
Ligand
BDBM25769
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
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Affinity Data
Kd: 263nM
Assay Description:
Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]dihydroalprenolol (DHA)
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Target
Beta-2 adrenergic receptor
(GUINEA PIG)
Ohio State University
Curated by
PDSP K
i
Database
Ligand
BDBM25769
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
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Affinity Data
Kd: 1.16E+3nM
Assay Description:
Agonist activity at adrenergic beta2 receptor in Hartley guinea pig tracheal ring assessed as bronchorelaxation activity against carbachol-induced co...
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Target
Beta-2 adrenergic receptor
(BOVINE)
TBA
Curated by
ChEMBL
Ligand
BDBM25769
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
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Affinity Data
Kd: 520nM
Assay Description:
Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]dihydroalprenolol (DHA)
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Target
Beta-2 adrenergic receptor
(GUINEA PIG)
Ohio State University
Curated by
PDSP K
i
Database
Ligand
BDBM25769
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
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Affinity Data
Kd: 110nM
Assay Description:
Agonist activity at adrenergic beta2 receptor in Hartley guinea pig tracheal ring at basal tone assessed as bronchorelaxation activity
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Target
Beta-2 adrenergic receptor
(GUINEA PIG)
Ohio State University
Curated by
PDSP K
i
Database
Ligand
BDBM25769
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
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Affinity Data
Kd: 245nM
Assay Description:
Agonist activity at adrenergic beta2 receptor in Hartley guinea pig tracheal ring assessed as bronchorelaxation activity against histamine-induced co...
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Target
Beta-2 adrenergic receptor
(Homo sapiens (Human))
Institute Of Cell Signaling
Curated by
PDSP K
i
Database
Ligand
BDBM25769
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
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Affinity Data
EC50: 25nM
Assay Description:
Agonist activity at recombinant human beta2-adrenoceptor expressed in whole cells assessed as cAMP accumulation by homogeneous radioimmunoassay
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Target
Beta-2 adrenergic receptor
(Homo sapiens (Human))
Institute Of Cell Signaling
Curated by
PDSP K
i
Database
Ligand
BDBM25769
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
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Affinity Data
EC50: 200nM
Assay Description:
Agonist activity at human adrenergic beta2 receptor expressed in H292 cells assessed as intracellular cAMP accumulation after 1 hr
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Target
Beta-2 adrenergic receptor
(GUINEA PIG)
Ohio State University
Curated by
PDSP K
i
Database
Ligand
BDBM25769
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
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Affinity Data
EC50: 0.454nM
Assay Description:
Agonist activity at adrenergic beta2 receptor in Hartley guinea pig tracheal ring assessed as bronchorelaxation activity against histamine-induced co...
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Target
Beta-2 adrenergic receptor
(GUINEA PIG)
Ohio State University
Curated by
PDSP K
i
Database
Ligand
BDBM25769
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
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Affinity Data
EC50: 268nM
Assay Description:
Agonist activity at adrenergic beta2 receptor in Hartley guinea pig tracheal ring assessed as bronchorelaxation activity against carbachol-induced co...
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Target
Beta-2 adrenergic receptor
(Homo sapiens (Human))
Institute Of Cell Signaling
Curated by
PDSP K
i
Database
Ligand
BDBM50361247
(ALBUTEROL | LEVOSALBUTAMOL | Levalbuterol | Levoli...)
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Affinity Data
EC50: 275nM
Assay Description:
Agonist activity at recombinant human beta2 adrenoceptor expressed in HEK293T cells assessed as increase in IBMX-induced cAMP accumulation using [3H]...
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Target
Beta-2 adrenergic receptor
(Homo sapiens (Human))
Institute Of Cell Signaling
Curated by
PDSP K
i
Database
Ligand
BDBM50361247
(ALBUTEROL | LEVOSALBUTAMOL | Levalbuterol | Levoli...)
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Affinity Data
EC50: 145nM
Assay Description:
Agonist activity at recombinant human beta2 adrenoceptor expressed in HEK293T cells assessed as increase in IBMX-induced cAMP accumulation using [3H]...
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Target
Beta-2 adrenergic receptor
(Homo sapiens (Human))
Institute Of Cell Signaling
Curated by
PDSP K
i
Database
Ligand
BDBM50361247
(ALBUTEROL | LEVOSALBUTAMOL | Levalbuterol | Levoli...)
Copy SMILES
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Affinity Data
EC50: 457nM
Assay Description:
Agonist activity at recombinant human beta2 adrenoceptor expressed in HEK293T cells assessed as increase in IBMX-induced cAMP accumulation using [3H]...
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Target
Beta-2 adrenergic receptor
(Homo sapiens (Human))
Institute Of Cell Signaling
Curated by
PDSP K
i
Database
Ligand
BDBM25769
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
Copy SMILES
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Affinity Data
EC50: 68nM
Assay Description:
Agonist activity at human beta2 adrenergic receptor assessed as increase in cAMP level by whole cell assay
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Target
Beta-2 adrenergic receptor
(BOVINE)
TBA
Curated by
ChEMBL
Ligand
BDBM25769
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
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Affinity Data
Kd: 570nM
Assay Description:
Apparent binding affinity constant to beta-2 adrenergic receptor determined using [3H]DHA
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Target
Beta-3 adrenergic receptor
(Homo sapiens (Human))
UniversitÄT WÜRzburg
Curated by
PDSP K
i
Database
Ligand
BDBM25769
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
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Affinity Data
Kd: 4.68E+4nM
Assay Description:
The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...
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Target
Beta-2 adrenergic receptor
(Homo sapiens (Human))
Institute Of Cell Signaling
Curated by
PDSP K
i
Database
Ligand
BDBM25769
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
Copy SMILES
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Affinity Data
Kd: 759nM
Assay Description:
The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...
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Target
Beta-1 adrenergic receptor
(Homo sapiens (Human))
UniversitÄT WÜRzburg
Curated by
PDSP K
i
Database
Ligand
BDBM25769
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
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Affinity Data
EC50: 1.5nM
Assay Description:
Agonist activity at beta1 adrenoceptor (unknown origin) expressed in HEK293 cells assessed as cAMP accumulation incubated for 60 mins by microplate r...
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Target
Beta-1 adrenergic receptor
(Homo sapiens (Human))
UniversitÄT WÜRzburg
Curated by
PDSP K
i
Database
Ligand
BDBM25769
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
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Affinity Data
Kd: 2.19E+4nM
pH: 7.4 T: 2°C
Assay Description:
The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...
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