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Compile Data Set for Download or QSAR

Found 11 hits of kd for drug = Aerolone   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM25392
PNG
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
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n/an/an/a 18n/an/an/an/an/a



Instituto Polit£cnico Nacional

Curated by ChEMBL


Assay Description
Agonist activity at adrenergic beta2 receptor in Hartley guinea pig tracheal ring assessed as bronchorelaxation activity against histamine-induced co...


Bioorg Med Chem Lett 25: 820-5 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.077
BindingDB Entry DOI: 10.7270/Q2FN17W4
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM25392
PNG
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
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n/an/an/a 25n/an/an/an/an/a



Instituto Polit£cnico Nacional

Curated by ChEMBL


Assay Description
Agonist activity at adrenergic beta2 receptor in Hartley guinea pig tracheal ring at basal tone assessed as bronchorelaxation activity


Bioorg Med Chem Lett 25: 820-5 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.077
BindingDB Entry DOI: 10.7270/Q2FN17W4
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM25392
PNG
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
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n/an/an/a 50n/an/an/an/an/a



Instituto Polit£cnico Nacional

Curated by ChEMBL


Assay Description
Binding affinity to human adrenergic beta2 receptor


Eur J Med Chem 44: 2840-6 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.016
BindingDB Entry DOI: 10.7270/Q2FQ9XJN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM25392
PNG
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
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n/an/an/a 130n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DHA from inactive/G protein-uncoupled human beta2-AR expressed in CHO cell membranes by liquid scintillation counting


J Med Chem 59: 5780-9 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00358
BindingDB Entry DOI: 10.7270/Q2GH9NF7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM25392
PNG
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
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n/an/an/a 130n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DHA from inactive/G protein-uncoupled human beta2-AR expressed in CHO cell membranes by liquid scintillation counting


J Med Chem 59: 5780-9 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00358
BindingDB Entry DOI: 10.7270/Q2GH9NF7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM25392
PNG
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
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n/an/an/a 200n/an/an/an/an/a



Merck, Sharp, and Dohme Research Laboratories



Assay Description
The binding of ligands to wild-type beta-AR was measured by competition with 35 pM 125I-CYP.


J Biol Chem 264: 13572-8 (1989)


BindingDB Entry DOI: 10.7270/Q29G5KDJ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM25392
PNG
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
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n/an/an/a 251n/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Binding affinity to beta-2 adrenergic receptor (unknown origin) at 1 to 10000 nM


Bioorg Med Chem Lett 23: 5376-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.052
BindingDB Entry DOI: 10.7270/Q2F76GHV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-2 adrenergic receptor


(BOVINE)
BDBM25392
PNG
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
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n/an/an/a 309n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]dihydroalprenolol (DHA)


J Med Chem 28: 1328-34 (1985)


BindingDB Entry DOI: 10.7270/Q2HX1DZG
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(BOVINE)
BDBM25392
PNG
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
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n/an/an/a 330n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]dihydroalprenolol (DHA)


J Med Chem 28: 1328-34 (1985)


BindingDB Entry DOI: 10.7270/Q2HX1DZG
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM25392
PNG
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
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n/an/an/a 740n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


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...


J Med Chem 59: 5780-9 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00358
BindingDB Entry DOI: 10.7270/Q2GH9NF7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM25392
PNG
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
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n/an/an/a 740n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


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...


J Med Chem 59: 5780-9 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00358
BindingDB Entry DOI: 10.7270/Q2GH9NF7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)