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BDBM25770 5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol::5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol, 5::Brethaire::Brethine::Bricanyl::Terbutaline::Terbutaline,(+/-)

SMILES: CC(C)(C)NCC(O)c1cc(O)cc(O)c1

InChI Key: InChIKey=XWTYSIMOBUGWOL-UHFFFAOYSA-N

Data: 6 KI  5 IC50  9 Kd  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 25770   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM25770
PNG
(5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-...)
Show SMILES CC(C)(C)NCC(O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3
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2.51E+3n/an/an/an/an/an/an/an/a



Institute of Cell Signaling

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 839-48 (2005)


Article DOI: 10.1124/jpet.105.088914
BindingDB Entry DOI: 10.7270/Q26Q1VT6
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25770
PNG
(5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-...)
Show SMILES CC(C)(C)NCC(O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Universität Würzburg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 369: 151-9 (2004)


Article DOI: 10.1007/s00210-003-0860-y
BindingDB Entry DOI: 10.7270/Q2PZ57C6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM25770
PNG
(5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-...)
Show SMILES CC(C)(C)NCC(O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Universität Würzburg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 369: 151-9 (2004)


Article DOI: 10.1007/s00210-003-0860-y
BindingDB Entry DOI: 10.7270/Q2PZ57C6
More data for this
Ligand-Target Pair
Beta-1 adrenergic recepto


(Homo sapiens (Human))
BDBM25770
PNG
(5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-...)
Show SMILES CC(C)(C)NCC(O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Universität Würzburg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 369: 151-9 (2004)


Article DOI: 10.1007/s00210-003-0860-y
BindingDB Entry DOI: 10.7270/Q2PZ57C6
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM25770
PNG
(5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-...)
Show SMILES CC(C)(C)NCC(O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Ohio State University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 270: 665-74 (1994)


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM25770
PNG
(5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-...)
Show SMILES CC(C)(C)NCC(O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 12: 568-80 (1976)


BindingDB Entry DOI: 10.7270/Q2ZK5F5P
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM25770
PNG
(5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-...)
Show SMILES CC(C)(C)NCC(O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3
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n/an/an/an/a 3.16E+3n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human adrenergic beta2 receptor expressed in H292 cells assessed as intracellular cAMP accumulation after 1 hr


Bioorg Med Chem Lett 21: 4027-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.135
BindingDB Entry DOI: 10.7270/Q2RV0PXF
More data for this
Ligand-Target Pair
ADRB2


(BOVINE)
BDBM25770
PNG
(5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-...)
Show SMILES CC(C)(C)NCC(O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3
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n/an/an/a 3.98E+3n/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)


Article DOI: 10.1021/jm00147a037
BindingDB Entry DOI: 10.7270/Q2HX1DZG
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(BOVINE)
BDBM25770
PNG
(5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-...)
Show SMILES CC(C)(C)NCC(O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3
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n/an/an/a 1.86E+3n/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)


Article DOI: 10.1021/jm00147a037
BindingDB Entry DOI: 10.7270/Q2HX1DZG
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM25770
PNG
(5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-...)
Show SMILES CC(C)(C)NCC(O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3
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n/an/a>1.35E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...


Toxicol Sci 118: 485-500 (2010)


Article DOI: 10.1093/toxsci/kfq269
BindingDB Entry DOI: 10.7270/Q26Q20JN
More data for this
Ligand-Target Pair
Canalicular multispecific organic anion transporter 1


(Homo sapiens (Human))
BDBM25770
PNG
(5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-...)
Show SMILES CC(C)(C)NCC(O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3
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n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


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...


Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 4


(Homo sapiens (Human))
BDBM25770
PNG
(5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-...)
Show SMILES CC(C)(C)NCC(O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3
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n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


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...


Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM25770
PNG
(5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-...)
Show SMILES CC(C)(C)NCC(O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3
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n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


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 ...


Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
Canalicular multispecific organic anion transporter 2


(Homo sapiens (Human))
BDBM25770
PNG
(5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-...)
Show SMILES CC(C)(C)NCC(O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3
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n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


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 ...


Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM25770
PNG
(5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-...)
Show SMILES CC(C)(C)NCC(O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3
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n/an/an/a 2.51E+3n/an/an/an/an/a



Instituto Polit£cnico Nacional (IPN)

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
ADRB2


(BOVINE)
BDBM25770
PNG
(5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-...)
Show SMILES CC(C)(C)NCC(O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3
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n/an/an/a 4.48E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Apparent binding affinity constant to beta-2 adrenergic receptor determined using [3H]DHA


J Med Chem 29: 549-54 (1986)


Article DOI: 10.1021/jm00154a020
BindingDB Entry DOI: 10.7270/Q2PC33WN
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM25770
PNG
(5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-...)
Show SMILES CC(C)(C)NCC(O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3
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n/an/an/a 7.40E+3n/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-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25770
PNG
(5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-...)
Show SMILES CC(C)(C)NCC(O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3
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n/an/an/a 1.26E+5n/an/an/an/an/a



University of Nottingham



Assay Description
The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...


Br J Pharmacol 144: 317-22 (2005)


Article DOI: 10.1038/sj.bjp.0706048
BindingDB Entry DOI: 10.7270/Q28C9TKV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM25770
PNG
(5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-...)
Show SMILES CC(C)(C)NCC(O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3
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n/an/an/a 2.51E+3n/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)


BindingDB Entry DOI: 10.7270/Q2F76GHV
More data for this
Ligand-Target Pair
Beta-1 adrenergic recepto


(Homo sapiens (Human))
BDBM25770
PNG
(5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-...)
Show SMILES CC(C)(C)NCC(O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3
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n/an/an/a 1.51E+5n/an/an/a7.437



University of Nottingham



Assay Description
The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...


Br J Pharmacol 144: 317-22 (2005)


Article DOI: 10.1038/sj.bjp.0706048
BindingDB Entry DOI: 10.7270/Q28C9TKV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM25770
PNG
(5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-...)
Show SMILES CC(C)(C)NCC(O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3
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n/an/an/a 2.40E+3n/an/an/an/an/a



University of Nottingham



Assay Description
The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...


Br J Pharmacol 144: 317-22 (2005)


Article DOI: 10.1038/sj.bjp.0706048
BindingDB Entry DOI: 10.7270/Q28C9TKV
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Ligand-Target Pair