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PubMed code 18651730

Compile data set for download or QSAR
Found 123 hits of Enzyme Inhibition Constant Data   
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


(Homo sapiens (Human))		BDBM50272805
PNG
(6-[((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethy...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(Oc3ccc(cn3)C(O)=O)cc2C1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C24H23ClN2O4/c25-19-3-1-2-16(10-19)22(28)14-26-20-7-4-15-5-8-21(12-18(15)11-20)31-23-9-6-17(13-27-23)24(29)30/h1-3,5-6,8-10,12-13,20,22,26,28H,4,7,11,14H2,(H,29,30)/t20-,22-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50273047
PNG
(5-[((7S)-7-{[(2R)-2-(4-Chlorophenyl)-2-hydroxyethy...)
Show SMILES COc1ccc(Oc2ccc3CC[C@@H](Cc3c2)NC[C@H](O)c2ccc(Cl)cc2)cc1C(O)=O |r|
Show InChI InChI=1S/C26H26ClNO5/c1-32-25-11-10-22(14-23(25)26(30)31)33-21-9-5-16-4-8-20(12-18(16)13-21)28-15-24(29)17-2-6-19(27)7-3-17/h2-3,5-7,9-11,13-14,20,24,28-29H,4,8,12,15H2,1H3,(H,30,31)/t20-,24-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50273077
PNG
(3-[((7S)-7-{[(2R)-2-Hydroxy-2-(3-pyridinyl)ethyl]a...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(Oc3cccc(c3)C(O)=O)cc2C1)c1cccnc1 |r|
Show InChI InChI=1S/C24H24N2O4/c27-23(18-4-2-10-25-14-18)15-26-20-8-6-16-7-9-22(13-19(16)11-20)30-21-5-1-3-17(12-21)24(28)29/h1-5,7,9-10,12-14,20,23,26-27H,6,8,11,15H2,(H,28,29)/t20-,23-/m0/s1
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n/an/an/an/a>100n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50272765
PNG
(3-[((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethy...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(Oc3cccc(c3)C(O)=O)cc2C1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C25H24ClNO4/c26-20-5-1-3-17(11-20)24(28)15-27-21-9-7-16-8-10-23(14-19(16)12-21)31-22-6-2-4-18(13-22)25(29)30/h1-6,8,10-11,13-14,21,24,27-28H,7,9,12,15H2,(H,29,30)/t21-,24-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50272615
PNG
(3-[((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethy...)
Show SMILES CN(C)c1cc(Oc2ccc3CC[C@@H](Cc3c2)NC[C@H](O)c2cccc(Cl)c2)cc(c1)C(O)=O |r|
Show InChI InChI=1S/C27H29ClN2O4/c1-30(2)23-12-20(27(32)33)14-25(15-23)34-24-9-7-17-6-8-22(11-19(17)13-24)29-16-26(31)18-4-3-5-21(28)10-18/h3-5,7,9-10,12-15,22,26,29,31H,6,8,11,16H2,1-2H3,(H,32,33)/t22-,26-/m0/s1
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n/an/an/an/a 3.20n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50273077
PNG
(3-[((7S)-7-{[(2R)-2-Hydroxy-2-(3-pyridinyl)ethyl]a...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(Oc3cccc(c3)C(O)=O)cc2C1)c1cccnc1 |r|
Show InChI InChI=1S/C24H24N2O4/c27-23(18-4-2-10-25-14-18)15-26-20-8-6-16-7-9-22(13-19(16)11-20)30-21-5-1-3-17(12-21)24(28)29/h1-5,7,9-10,12-14,20,23,26-27H,6,8,11,15H2,(H,28,29)/t20-,23-/m0/s1
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n/an/an/an/a 20n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50273079
PNG
(5-[((7S)-7-{[(2R)-2-(6-Chloro-3-pyridinyl)-2-hydro...)
Show SMILES COc1ccc(Oc2ccc3CC[C@@H](Cc3c2)NC[C@H](O)c2ccc(Cl)nc2)cc1C(O)=O |r|
Show InChI InChI=1S/C25H25ClN2O5/c1-32-23-8-7-20(12-21(23)25(30)31)33-19-6-3-15-2-5-18(10-17(15)11-19)27-14-22(29)16-4-9-24(26)28-13-16/h3-4,6-9,11-13,18,22,27,29H,2,5,10,14H2,1H3,(H,30,31)/t18-,22-/m0/s1
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n/an/an/an/a 3.60n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50272879
PNG
(5-((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(cc2C1)-c1ccc(s1)C(O)=O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C23H22ClNO3S/c24-18-3-1-2-15(11-18)20(26)13-25-19-7-6-14-4-5-16(10-17(14)12-19)21-8-9-22(29-21)23(27)28/h1-5,8-11,19-20,25-26H,6-7,12-13H2,(H,27,28)/t19-,20-/m0/s1
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n/an/an/an/a 2.40n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50273115
PNG
(4-((S)-7-((R)-2-(4-cyanophenyl)-2-hydroxyethylamin...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(cc2C1)-c1ccc(cc1)C(O)=O)c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C26H24N2O3/c27-15-17-1-3-20(4-2-17)25(29)16-28-24-12-11-19-7-10-22(13-23(19)14-24)18-5-8-21(9-6-18)26(30)31/h1-10,13,24-25,28-29H,11-12,14,16H2,(H,30,31)/t24-,25-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50272642
PNG
(5-[((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethy...)
Show SMILES COc1ccc(Oc2ccc3CC[C@@H](Cc3c2)NC[C@H](O)c2cccc(Cl)c2)cc1C(O)=O |r|
Show InChI InChI=1S/C26H26ClNO5/c1-32-25-10-9-22(14-23(25)26(30)31)33-21-8-6-16-5-7-20(12-18(16)13-21)28-15-24(29)17-3-2-4-19(27)11-17/h2-4,6,8-11,13-14,20,24,28-29H,5,7,12,15H2,1H3,(H,30,31)/t20-,24-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50272880
PNG
(2-((S)-7-((R)-2-(3-chlorophenyl)-2-hydroxyethylami...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(OCC(O)=O)cc2C1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C20H22ClNO4/c21-16-3-1-2-14(8-16)19(23)11-22-17-6-4-13-5-7-18(10-15(13)9-17)26-12-20(24)25/h1-3,5,7-8,10,17,19,22-23H,4,6,9,11-12H2,(H,24,25)/t17-,19-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50236152
PNG
(4'-{2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamin...)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(cc1)C(O)=O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C23H22ClNO3/c24-21-3-1-2-20(14-21)22(26)15-25-13-12-16-4-6-17(7-5-16)18-8-10-19(11-9-18)23(27)28/h1-11,14,22,25-26H,12-13,15H2,(H,27,28)/t22-/m0/s1
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n/an/an/an/a 6.70n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50236187
PNG
((R)-3-(4-(2-(2-(3-chlorophenyl)-2-hydroxyethylamin...)
Show SMILES O[C@@H](CNCCc1ccc(Oc2cccc(c2)C(O)=O)cc1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C23H22ClNO4/c24-19-5-1-3-17(13-19)22(26)15-25-12-11-16-7-9-20(10-8-16)29-21-6-2-4-18(14-21)23(27)28/h1-10,13-14,22,25-26H,11-12,15H2,(H,27,28)/t22-/m0/s1
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n/an/an/an/a 39n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50272841
PNG
(CHEMBL497281 | [3-((7S)-7-{[(2R)-2-(3-Chlorophenyl...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(cc2C1)-c1cccc(OCC(O)=O)c1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C26H26ClNO4/c27-22-5-1-4-20(12-22)25(29)15-28-23-10-9-17-7-8-19(11-21(17)13-23)18-3-2-6-24(14-18)32-16-26(30)31/h1-8,11-12,14,23,25,28-29H,9-10,13,15-16H2,(H,30,31)/t23-,25-/m0/s1
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n/an/an/an/a>100n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50272803
PNG
(3-[((8S)-8-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethy...)
Show SMILES O[C@@H](CN[C@H]1CCCc2ccc(Oc3cccc(c3)C(O)=O)cc2C1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C26H26ClNO4/c27-21-7-1-5-18(12-21)25(29)16-28-22-8-2-4-17-10-11-24(15-20(17)13-22)32-23-9-3-6-19(14-23)26(30)31/h1,3,5-7,9-12,14-15,22,25,28-29H,2,4,8,13,16H2,(H,30,31)/t22-,25-/m0/s1
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n/an/an/an/a 4.5n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50272765
PNG
(3-[((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethy...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(Oc3cccc(c3)C(O)=O)cc2C1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C25H24ClNO4/c26-20-5-1-3-17(11-20)24(28)15-27-21-9-7-16-8-10-23(14-19(16)12-21)31-22-6-2-4-18(13-22)25(29)30/h1-6,8,10-11,13-14,21,24,27-28H,7,9,12,15H2,(H,29,30)/t21-,24-/m0/s1
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n/an/an/an/a 7.10n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50272764
PNG
(CHEMBL525358 | {4-[((7S)-7-{[(2R)-2-(3-Chloropheny...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(Oc3ccc(OCC(O)=O)cc3)cc2C1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C26H26ClNO5/c27-20-3-1-2-18(12-20)25(29)15-28-21-6-4-17-5-7-24(14-19(17)13-21)33-23-10-8-22(9-11-23)32-16-26(30)31/h1-3,5,7-12,14,21,25,28-29H,4,6,13,15-16H2,(H,30,31)/t21-,25-/m0/s1
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n/an/an/an/a 24n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50272806
PNG
(2-[((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethy...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(Oc3ncccc3C(O)=O)cc2C1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C24H23ClN2O4/c25-18-4-1-3-16(11-18)22(28)14-27-19-8-6-15-7-9-20(13-17(15)12-19)31-23-21(24(29)30)5-2-10-26-23/h1-5,7,9-11,13,19,22,27-28H,6,8,12,14H2,(H,29,30)/t19-,22-/m0/s1
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n/an/an/an/a 49n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50273114
PNG
(4-((7S)-7-{[(2R)-2-Hydroxy-2-(4-methylphenyl)ethyl...)
Show SMILES Cc1ccc(cc1)[C@@H](O)CN[C@H]1CCc2ccc(cc2C1)-c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C26H27NO3/c1-17-2-4-20(5-3-17)25(28)16-27-24-13-12-19-8-11-22(14-23(19)15-24)18-6-9-21(10-7-18)26(29)30/h2-11,14,24-25,27-28H,12-13,15-16H2,1H3,(H,29,30)/t24-,25-/m0/s1
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n/an/an/an/a 0.790n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50273113
PNG
(4-((S)-7-((R)-2-(4-chlorophenyl)-2-hydroxyethylami...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(cc2C1)-c1ccc(cc1)C(O)=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H24ClNO3/c26-22-10-7-18(8-11-22)24(28)15-27-23-12-9-17-3-6-20(13-21(17)14-23)16-1-4-19(5-2-16)25(29)30/h1-8,10-11,13,23-24,27-28H,9,12,14-15H2,(H,29,30)/t23-,24-/m0/s1
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n/an/an/an/a 0.380n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50272876
PNG
(4-((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(cc2C1)-c1ccc(cc1)C(O)=O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C25H24ClNO3/c26-22-3-1-2-20(13-22)24(28)15-27-23-11-10-17-6-9-19(12-21(17)14-23)16-4-7-18(8-5-16)25(29)30/h1-9,12-13,23-24,27-28H,10-11,14-15H2,(H,29,30)/t23-,24-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50273079
PNG
(5-[((7S)-7-{[(2R)-2-(6-Chloro-3-pyridinyl)-2-hydro...)
Show SMILES COc1ccc(Oc2ccc3CC[C@@H](Cc3c2)NC[C@H](O)c2ccc(Cl)nc2)cc1C(O)=O |r|
Show InChI InChI=1S/C25H25ClN2O5/c1-32-23-8-7-20(12-21(23)25(30)31)33-19-6-3-15-2-5-18(10-17(15)11-19)27-14-22(29)16-4-9-24(26)28-13-16/h3-4,6-9,11-13,18,22,27,29H,2,5,10,14H2,1H3,(H,30,31)/t18-,22-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50272921
PNG
(5-[((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethy...)
Show SMILES Cc1ccc(Oc2ccc3CC[C@@H](Cc3c2)NC[C@H](O)c2cccc(Cl)c2)cc1C(O)=O |r|
Show InChI InChI=1S/C26H26ClNO4/c1-16-5-9-23(14-24(16)26(30)31)32-22-10-7-17-6-8-21(12-19(17)13-22)28-15-25(29)18-3-2-4-20(27)11-18/h2-5,7,9-11,13-14,21,25,28-29H,6,8,12,15H2,1H3,(H,30,31)/t21-,25-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50273045
PNG
(3-[((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethy...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(Oc3cc(NC4CCOCC4)cc(c3)C(O)=O)cc2C1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C30H33ClN2O5/c31-23-3-1-2-20(12-23)29(34)18-32-25-6-4-19-5-7-27(15-21(19)13-25)38-28-16-22(30(35)36)14-26(17-28)33-24-8-10-37-11-9-24/h1-3,5,7,12,14-17,24-25,29,32-34H,4,6,8-11,13,18H2,(H,35,36)/t25-,29-/m0/s1
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n/an/an/an/a 340n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50273078
PNG
(3-[((7S)-7-{[(2R)-2-(6-Chloro-3-pyridinyl)-2-hydro...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(Oc3cccc(c3)C(O)=O)cc2C1)c1ccc(Cl)nc1 |r|
Show InChI InChI=1S/C24H23ClN2O4/c25-23-9-6-17(13-27-23)22(28)14-26-19-7-4-15-5-8-21(12-18(15)10-19)31-20-3-1-2-16(11-20)24(29)30/h1-3,5-6,8-9,11-13,19,22,26,28H,4,7,10,14H2,(H,29,30)/t19-,22-/m0/s1
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n/an/an/an/a 140n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50272642
PNG
(5-[((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethy...)
Show SMILES COc1ccc(Oc2ccc3CC[C@@H](Cc3c2)NC[C@H](O)c2cccc(Cl)c2)cc1C(O)=O |r|
Show InChI InChI=1S/C26H26ClNO5/c1-32-25-10-9-22(14-23(25)26(30)31)33-21-8-6-16-5-7-20(12-18(16)13-21)28-15-24(29)17-3-2-4-19(27)11-17/h2-4,6,8-11,13-14,20,24,28-29H,5,7,12,15H2,1H3,(H,30,31)/t20-,24-/m0/s1
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n/an/an/an/a 6n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50272806
PNG
(2-[((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethy...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(Oc3ncccc3C(O)=O)cc2C1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C24H23ClN2O4/c25-18-4-1-3-16(11-18)22(28)14-27-19-8-6-15-7-9-20(13-17(15)12-19)31-23-21(24(29)30)5-2-10-26-23/h1-5,7,9-11,13,19,22,27-28H,6,8,12,14H2,(H,29,30)/t19-,22-/m0/s1
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n/an/an/an/a>100n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50273046
PNG
(3-[((7S)-7-{[(2R)-2-(4-Chlorophenyl)-2-hydroxyethy...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(Oc3cccc(c3)C(O)=O)cc2C1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H24ClNO4/c26-20-8-4-17(5-9-20)24(28)15-27-21-10-6-16-7-11-23(14-19(16)12-21)31-22-3-1-2-18(13-22)25(29)30/h1-5,7-9,11,13-14,21,24,27-28H,6,10,12,15H2,(H,29,30)/t21-,24-/m0/s1
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n/an/an/an/a 4.80n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50272880
PNG
(2-((S)-7-((R)-2-(3-chlorophenyl)-2-hydroxyethylami...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(OCC(O)=O)cc2C1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C20H22ClNO4/c21-16-3-1-2-14(8-16)19(23)11-22-17-6-4-13-5-7-18(10-15(13)9-17)26-12-20(24)25/h1-3,5,7-8,10,17,19,22-23H,4,6,9,11-12H2,(H,24,25)/t17-,19-/m0/s1
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n/an/an/an/a 1.50E+3n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50273246
PNG
(4-((7S)-7-{[(2R)-2-(4-Chlorophenyl)-2-hydroxyethyl...)
Show SMILES Cc1cc(ccc1-c1ccc2CC[C@@H](Cc2c1)NC[C@H](O)c1ccc(Cl)cc1)C(O)=O |r|
Show InChI InChI=1S/C26H26ClNO3/c1-16-12-20(26(30)31)7-11-24(16)19-3-2-17-6-10-23(14-21(17)13-19)28-15-25(29)18-4-8-22(27)9-5-18/h2-5,7-9,11-13,23,25,28-29H,6,10,14-15H2,1H3,(H,30,31)/t23-,25-/m0/s1
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n/an/an/an/a 2n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50273207
PNG
(4-((7S)-7-{[(2R)-2-(4-Chlorophenyl)-2-hydroxyethyl...)
Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc2CC[C@@H](Cc2c1)NC[C@H](O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C28H30ClNO4/c1-17(2)34-27-15-21(8-12-25(27)28(32)33)20-4-3-18-7-11-24(14-22(18)13-20)30-16-26(31)19-5-9-23(29)10-6-19/h3-6,8-10,12-13,15,17,24,26,30-31H,7,11,14,16H2,1-2H3,(H,32,33)/t24-,26-/m0/s1
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n/an/an/an/a 0.700n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50273205
PNG
(4-((7S)-7-{[(2R)-2-(4-Chlorophenyl)-2-hydroxyethyl...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(cc2C1)-c1ccc(C(O)=O)c(F)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H23ClFNO3/c26-20-7-3-16(4-8-20)24(29)14-28-21-9-5-15-1-2-17(11-19(15)12-21)18-6-10-22(25(30)31)23(27)13-18/h1-4,6-8,10-11,13,21,24,28-29H,5,9,12,14H2,(H,30,31)/t21-,24-/m0/s1
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n/an/an/an/a 0.810n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50273152
PNG
(4-((S)-7-((R)-2-(3,4-dichlorophenyl)-2-hydroxyethy...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(cc2C1)-c1ccc(cc1)C(O)=O)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C25H23Cl2NO3/c26-22-10-8-19(13-23(22)27)24(29)14-28-21-9-7-16-3-6-18(11-20(16)12-21)15-1-4-17(5-2-15)25(30)31/h1-6,8,10-11,13,21,24,28-29H,7,9,12,14H2,(H,30,31)/t21-,24-/m0/s1
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n/an/an/an/a 33n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50273151
PNG
(4-((S)-7-((R)-2-hydroxy-2-(4-(trifluoromethyl)phen...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(cc2C1)-c1ccc(cc1)C(O)=O)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C26H24F3NO3/c27-26(28,29)22-10-7-18(8-11-22)24(31)15-30-23-12-9-17-3-6-20(13-21(17)14-23)16-1-4-19(5-2-16)25(32)33/h1-8,10-11,13,23-24,30-31H,9,12,14-15H2,(H,32,33)/t23-,24-/m0/s1
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n/an/an/an/a 3.5n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50273246
PNG
(4-((7S)-7-{[(2R)-2-(4-Chlorophenyl)-2-hydroxyethyl...)
Show SMILES Cc1cc(ccc1-c1ccc2CC[C@@H](Cc2c1)NC[C@H](O)c1ccc(Cl)cc1)C(O)=O |r|
Show InChI InChI=1S/C26H26ClNO3/c1-16-12-20(26(30)31)7-11-24(16)19-3-2-17-6-10-23(14-21(17)13-19)28-15-25(29)18-4-8-22(27)9-5-18/h2-5,7-9,11-13,23,25,28-29H,6,10,14-15H2,1H3,(H,30,31)/t23-,25-/m0/s1
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Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Canis familiaris)		BDBM50273113
PNG
(4-((S)-7-((R)-2-(4-chlorophenyl)-2-hydroxyethylami...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(cc2C1)-c1ccc(cc1)C(O)=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H24ClNO3/c26-22-10-7-18(8-11-22)24(28)15-27-23-12-9-17-3-6-20(13-21(17)14-23)16-1-4-19(5-2-16)25(29)30/h1-8,10-11,13,23-24,27-28H,9,12,14-15H2,(H,29,30)/t23-,24-/m0/s1
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Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at dog beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50272840
PNG
(5-[((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethy...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(Oc3ccc(s3)C(O)=O)cc2C1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C23H22ClNO4S/c24-17-3-1-2-15(10-17)20(26)13-25-18-6-4-14-5-7-19(12-16(14)11-18)29-22-9-8-21(30-22)23(27)28/h1-3,5,7-10,12,18,20,25-26H,4,6,11,13H2,(H,27,28)/t18-,20-/m0/s1
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Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50272765
PNG
(3-[((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethy...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(Oc3cccc(c3)C(O)=O)cc2C1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C25H24ClNO4/c26-20-5-1-3-17(11-20)24(28)15-27-21-9-7-16-8-10-23(14-19(16)12-21)31-22-6-2-4-18(13-22)25(29)30/h1-6,8,10-11,13-14,21,24,27-28H,7,9,12,15H2,(H,29,30)/t21-,24-/m0/s1
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Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
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/an/a 2n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50273005
PNG
(3-[((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethy...)
Show SMILES COc1cc(Oc2ccc3CC[C@@H](Cc3c2)NC[C@H](O)c2cccc(Cl)c2)cc(c1)C(O)=O |r|
Show InChI InChI=1S/C26H26ClNO5/c1-32-23-12-19(26(30)31)13-24(14-23)33-22-8-6-16-5-7-21(10-18(16)11-22)28-15-25(29)17-3-2-4-20(27)9-17/h2-4,6,8-9,11-14,21,25,28-29H,5,7,10,15H2,1H3,(H,30,31)/t21-,25-/m0/s1
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n/an/an/an/a 890n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50272805
PNG
(6-[((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethy...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(Oc3ccc(cn3)C(O)=O)cc2C1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C24H23ClN2O4/c25-19-3-1-2-16(10-19)22(28)14-26-20-7-4-15-5-8-21(12-18(15)11-20)31-23-9-6-17(13-27-23)24(29)30/h1-3,5-6,8-10,12-13,20,22,26,28H,4,7,11,14H2,(H,29,30)/t20-,22-/m0/s1
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n/an/an/an/a 70n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50273047
PNG
(5-[((7S)-7-{[(2R)-2-(4-Chlorophenyl)-2-hydroxyethy...)
Show SMILES COc1ccc(Oc2ccc3CC[C@@H](Cc3c2)NC[C@H](O)c2ccc(Cl)cc2)cc1C(O)=O |r|
Show InChI InChI=1S/C26H26ClNO5/c1-32-25-11-10-22(14-23(25)26(30)31)33-21-9-5-16-4-8-20(12-18(16)13-21)28-15-24(29)17-2-6-19(27)7-3-17/h2-3,5-7,9-11,13-14,20,24,28-29H,4,8,12,15H2,1H3,(H,30,31)/t20-,24-/m0/s1
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n/an/an/an/a 4.70n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50240563
PNG
(CHEMBL59765 | ethyl 2-((S)-8-((R)-2-(3-chloropheny...)
Show SMILES CCOC(=O)COc1ccc2CCC[C@@H](Cc2c1)NC[C@H](O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C23H28ClNO4/c1-2-28-23(27)15-29-21-10-9-16-5-4-8-20(12-18(16)13-21)25-14-22(26)17-6-3-7-19(24)11-17/h3,6-7,9-11,13,20,22,25-26H,2,4-5,8,12,14-15H2,1H3/t20-,22-/m0/s1
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n/an/an/an/a>3.20E+3n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50236152
PNG
(4'-{2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamin...)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(cc1)C(O)=O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C23H22ClNO3/c24-21-3-1-2-20(14-21)22(26)15-25-13-12-16-4-6-17(7-5-16)18-8-10-19(11-9-18)23(27)28/h1-11,14,22,25-26H,12-13,15H2,(H,27,28)/t22-/m0/s1
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n/an/an/an/a 280n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50272804
PNG
(4-[((8S)-8-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethy...)
Show SMILES O[C@@H](CN[C@H]1CCCc2ccc(Oc3ccc(cc3)C(O)=O)cc2C1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C26H26ClNO4/c27-21-5-1-4-19(13-21)25(29)16-28-22-6-2-3-17-7-12-24(15-20(17)14-22)32-23-10-8-18(9-11-23)26(30)31/h1,4-5,7-13,15,22,25,28-29H,2-3,6,14,16H2,(H,30,31)/t22-,25-/m0/s1
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n/an/an/an/a>100n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50272877
PNG
(4-[(8S)-8-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl...)
Show SMILES O[C@@H](CN[C@H]1CCCc2ccc(cc2C1)-c1ccc(cc1)C(O)=O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C26H26ClNO3/c27-23-5-1-4-21(14-23)25(29)16-28-24-6-2-3-17-9-12-20(13-22(17)15-24)18-7-10-19(11-8-18)26(30)31/h1,4-5,7-14,24-25,28-29H,2-3,6,15-16H2,(H,30,31)/t24-,25-/m0/s1
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Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50272876
PNG
(4-((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(cc2C1)-c1ccc(cc1)C(O)=O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C25H24ClNO3/c26-22-3-1-2-20(13-22)24(28)15-27-23-11-10-17-6-9-19(12-21(17)14-23)16-4-7-18(8-5-16)25(29)30/h1-9,12-13,23-24,27-28H,10-11,14-15H2,(H,29,30)/t23-,24-/m0/s1
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n/an/an/an/a 2.80n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50273247
PNG
(4-((7S)-7-{[(2R)-2-(4-Chlorophenyl)-2-hydroxyethyl...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(cc2C1)-c1ccc(cc1F)C(O)=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H23ClFNO3/c26-20-7-3-16(4-8-20)24(29)14-28-21-9-5-15-1-2-17(11-19(15)12-21)22-10-6-18(25(30)31)13-23(22)27/h1-4,6-8,10-11,13,21,24,28-29H,5,9,12,14H2,(H,30,31)/t21-,24-/m0/s1
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n/an/an/an/a 1.40n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50273112
PNG
(4-((S)-7-((R)-2-(2-chlorophenyl)-2-hydroxyethylami...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(cc2C1)-c1ccc(cc1)C(O)=O)c1ccccc1Cl |r|
Show InChI InChI=1S/C25H24ClNO3/c26-23-4-2-1-3-22(23)24(28)15-27-21-12-11-17-7-10-19(13-20(17)14-21)16-5-8-18(9-6-16)25(29)30/h1-10,13,21,24,27-28H,11-12,14-15H2,(H,29,30)/t21-,24-/m0/s1
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n/an/an/an/a 38n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50273112
PNG
(4-((S)-7-((R)-2-(2-chlorophenyl)-2-hydroxyethylami...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(cc2C1)-c1ccc(cc1)C(O)=O)c1ccccc1Cl |r|
Show InChI InChI=1S/C25H24ClNO3/c26-23-4-2-1-3-22(23)24(28)15-27-21-12-11-17-7-10-19(13-20(17)14-21)16-5-8-18(9-6-16)25(29)30/h1-10,13,21,24,27-28H,11-12,14-15H2,(H,29,30)/t21-,24-/m0/s1
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n/an/an/an/a 620n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Canis familiaris)		BDBM50273079
PNG
(5-[((7S)-7-{[(2R)-2-(6-Chloro-3-pyridinyl)-2-hydro...)
Show SMILES COc1ccc(Oc2ccc3CC[C@@H](Cc3c2)NC[C@H](O)c2ccc(Cl)nc2)cc1C(O)=O |r|
Show InChI InChI=1S/C25H25ClN2O5/c1-32-23-8-7-20(12-21(23)25(30)31)33-19-6-3-15-2-5-18(10-17(15)11-19)27-14-22(29)16-4-9-24(26)28-13-16/h3-4,6-9,11-13,18,22,27,29H,2,5,10,14H2,1H3,(H,30,31)/t18-,22-/m0/s1
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Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at dog beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50272615
PNG
(3-[((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethy...)
Show SMILES CN(C)c1cc(Oc2ccc3CC[C@@H](Cc3c2)NC[C@H](O)c2cccc(Cl)c2)cc(c1)C(O)=O |r|
Show InChI InChI=1S/C27H29ClN2O4/c1-30(2)23-12-20(27(32)33)14-25(15-23)34-24-9-7-17-6-8-22(11-19(17)13-24)29-16-26(31)18-4-3-5-21(28)10-18/h3-5,7,9-10,12-15,22,26,29,31H,6,8,11,16H2,1-2H3,(H,32,33)/t22-,26-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50236152
PNG
(4'-{2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamin...)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(cc1)C(O)=O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C23H22ClNO3/c24-21-3-1-2-20(14-21)22(26)15-25-13-12-16-4-6-17(7-5-16)18-8-10-19(11-9-18)23(27)28/h1-11,14,22,25-26H,12-13,15H2,(H,27,28)/t22-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50240563
PNG
(CHEMBL59765 | ethyl 2-((S)-8-((R)-2-(3-chloropheny...)
Show SMILES CCOC(=O)COc1ccc2CCC[C@@H](Cc2c1)NC[C@H](O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C23H28ClNO4/c1-2-28-23(27)15-29-21-10-9-16-5-4-8-20(12-18(16)13-21)25-14-22(26)17-6-3-7-19(24)11-17/h3,6-7,9-11,13,20,22,25-26H,2,4-5,8,12,14-15H2,1H3/t20-,22-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50273044
PNG
(3-{[(7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethy...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(Oc3cc(NC4CCCCC4)cc(c3)C(O)=O)cc2C1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C31H35ClN2O4/c32-24-6-4-5-21(13-24)30(35)19-33-26-11-9-20-10-12-28(16-22(20)14-26)38-29-17-23(31(36)37)15-27(18-29)34-25-7-2-1-3-8-25/h4-6,10,12-13,15-18,25-26,30,33-35H,1-3,7-9,11,14,19H2,(H,36,37)/t26-,30-/m0/s1
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n/an/an/an/a 69n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50272616
PNG
(2-Chloro-5-[((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hy...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(Oc3ccc(Cl)c(c3)C(O)=O)cc2C1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C25H23Cl2NO4/c26-18-3-1-2-16(10-18)24(29)14-28-19-6-4-15-5-7-20(12-17(15)11-19)32-21-8-9-23(27)22(13-21)25(30)31/h1-3,5,7-10,12-13,19,24,28-29H,4,6,11,14H2,(H,30,31)/t19-,24-/m0/s1
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n/an/an/an/a 16n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50273008
PNG
(3-{[(7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethy...)
Show SMILES CCCNc1cc(Oc2ccc3CC[C@@H](Cc3c2)NC[C@H](O)c2cccc(Cl)c2)cc(c1)C(O)=O |r|
Show InChI InChI=1S/C28H31ClN2O4/c1-2-10-30-24-13-21(28(33)34)15-26(16-24)35-25-9-7-18-6-8-23(12-20(18)14-25)31-17-27(32)19-4-3-5-22(29)11-19/h3-5,7,9,11,13-16,23,27,30-32H,2,6,8,10,12,17H2,1H3,(H,33,34)/t23-,27-/m0/s1
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n/an/an/an/a 0.770n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50273044
PNG
(3-{[(7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethy...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(Oc3cc(NC4CCCCC4)cc(c3)C(O)=O)cc2C1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C31H35ClN2O4/c32-24-6-4-5-21(13-24)30(35)19-33-26-11-9-20-10-12-28(16-22(20)14-26)38-29-17-23(31(36)37)15-27(18-29)34-25-7-2-1-3-8-25/h4-6,10,12-13,15-18,25-26,30,33-35H,1-3,7-9,11,14,19H2,(H,36,37)/t26-,30-/m0/s1
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n/an/an/an/a 0.780n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50272840
PNG
(5-[((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethy...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(Oc3ccc(s3)C(O)=O)cc2C1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C23H22ClNO4S/c24-17-3-1-2-15(10-17)20(26)13-25-18-6-4-14-5-7-19(12-16(14)11-18)29-22-9-8-21(30-22)23(27)28/h1-3,5,7-10,12,18,20,25-26H,4,6,11,13H2,(H,27,28)/t18-,20-/m0/s1
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n/an/an/an/a 670n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50272842
PNG
(4-((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(cc2C1)-c1ccc(OCC(O)=O)cc1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C26H26ClNO4/c27-22-3-1-2-20(13-22)25(29)15-28-23-9-6-18-4-5-19(12-21(18)14-23)17-7-10-24(11-8-17)32-16-26(30)31/h1-5,7-8,10-13,23,25,28-29H,6,9,14-16H2,(H,30,31)/t23-,25-/m0/s1
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n/an/an/an/a 5.80n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 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/an/a 0.970n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Beta-1 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/an/a 0.0840n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50273153
PNG
(4-((7S)-7-{[(2R)-2-Hydroxy-2-(3-pyridinyl)ethyl]am...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(cc2C1)-c1ccc(cc1)C(O)=O)c1cccnc1 |r|
Show InChI InChI=1S/C24H24N2O3/c27-23(20-2-1-11-25-14-20)15-26-22-10-9-17-5-8-19(12-21(17)13-22)16-3-6-18(7-4-16)24(28)29/h1-8,11-12,14,22-23,26-27H,9-10,13,15H2,(H,28,29)/t22-,23-/m0/s1
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n/an/an/an/a 13n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50273152
PNG
(4-((S)-7-((R)-2-(3,4-dichlorophenyl)-2-hydroxyethy...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(cc2C1)-c1ccc(cc1)C(O)=O)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C25H23Cl2NO3/c26-22-10-8-19(13-23(22)27)24(29)14-28-21-9-7-16-3-6-18(11-20(16)12-21)15-1-4-17(5-2-15)25(30)31/h1-6,8,10-11,13,21,24,28-29H,7,9,12,14H2,(H,30,31)/t21-,24-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50273151
PNG
(4-((S)-7-((R)-2-hydroxy-2-(4-(trifluoromethyl)phen...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(cc2C1)-c1ccc(cc1)C(O)=O)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C26H24F3NO3/c27-26(28,29)22-10-7-18(8-11-22)24(31)15-30-23-12-9-17-3-6-20(13-21(17)14-23)16-1-4-19(5-2-16)25(32)33/h1-8,10-11,13,23-24,30-31H,9,12,14-15H2,(H,32,33)/t23-,24-/m0/s1
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n/an/an/an/a 775n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Canis familiaris)		BDBM50240563
PNG
(CHEMBL59765 | ethyl 2-((S)-8-((R)-2-(3-chloropheny...)
Show SMILES CCOC(=O)COc1ccc2CCC[C@@H](Cc2c1)NC[C@H](O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C23H28ClNO4/c1-2-28-23(27)15-29-21-10-9-16-5-4-8-20(12-18(16)13-21)25-14-22(26)17-6-3-7-19(24)11-17/h3,6-7,9-11,13,20,22,25-26H,2,4-5,8,12,14-15H2,1H3/t20-,22-/m0/s1
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n/an/an/an/a 30n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at dog beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50273113
PNG
(4-((S)-7-((R)-2-(4-chlorophenyl)-2-hydroxyethylami...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(cc2C1)-c1ccc(cc1)C(O)=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H24ClNO3/c26-22-10-7-18(8-11-22)24(28)15-27-23-12-9-17-3-6-20(13-21(17)14-23)16-1-4-19(5-2-16)25(29)30/h1-8,10-11,13,23-24,27-28H,9,12,14-15H2,(H,29,30)/t23-,24-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50273006
PNG
(3-Amino-5-[((7S)-7-{[(2R)-2-(3-chlorophenyl)-2-hyd...)
Show SMILES Nc1cc(Oc2ccc3CC[C@@H](Cc3c2)NC[C@H](O)c2cccc(Cl)c2)cc(c1)C(O)=O |r|
Show InChI InChI=1S/C25H25ClN2O4/c26-19-3-1-2-16(8-19)24(29)14-28-21-6-4-15-5-7-22(11-17(15)10-21)32-23-12-18(25(30)31)9-20(27)13-23/h1-3,5,7-9,11-13,21,24,28-29H,4,6,10,14,27H2,(H,30,31)/t21-,24-/m0/s1
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n/an/an/an/a 480n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50273046
PNG
(3-[((7S)-7-{[(2R)-2-(4-Chlorophenyl)-2-hydroxyethy...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(Oc3cccc(c3)C(O)=O)cc2C1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H24ClNO4/c26-20-8-4-17(5-9-20)24(28)15-27-21-10-6-16-7-11-23(14-19(16)12-21)31-22-3-1-2-18(13-22)25(29)30/h1-5,7-9,11,13-14,21,24,27-28H,6,10,12,15H2,(H,29,30)/t21-,24-/m0/s1
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n/an/an/an/a 330n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50272764
PNG
(CHEMBL525358 | {4-[((7S)-7-{[(2R)-2-(3-Chloropheny...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(Oc3ccc(OCC(O)=O)cc3)cc2C1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C26H26ClNO5/c27-20-3-1-2-18(12-20)25(29)15-28-21-6-4-17-5-7-24(14-19(17)13-21)33-23-10-8-22(9-11-23)32-16-26(30)31/h1-3,5,7-12,14,21,25,28-29H,4,6,13,15-16H2,(H,30,31)/t21-,25-/m0/s1
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n/an/an/an/a>100n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50272880
PNG
(2-((S)-7-((R)-2-(3-chlorophenyl)-2-hydroxyethylami...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(OCC(O)=O)cc2C1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C20H22ClNO4/c21-16-3-1-2-14(8-16)19(23)11-22-17-6-4-13-5-7-18(10-15(13)9-17)26-12-20(24)25/h1-3,5,7-8,10,17,19,22-23H,4,6,9,11-12H2,(H,24,25)/t17-,19-/m0/s1
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n/an/an/an/a 39n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50272803
PNG
(3-[((8S)-8-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethy...)
Show SMILES O[C@@H](CN[C@H]1CCCc2ccc(Oc3cccc(c3)C(O)=O)cc2C1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C26H26ClNO4/c27-21-7-1-5-18(12-21)25(29)16-28-22-8-2-4-17-10-11-24(15-20(17)13-22)32-23-9-3-6-19(14-23)26(30)31/h1,3,5-7,9-12,14-15,22,25,28-29H,2,4,8,13,16H2,(H,30,31)/t22-,25-/m0/s1
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n/an/an/an/a 160n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50273005
PNG
(3-[((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethy...)
Show SMILES COc1cc(Oc2ccc3CC[C@@H](Cc3c2)NC[C@H](O)c2cccc(Cl)c2)cc(c1)C(O)=O |r|
Show InChI InChI=1S/C26H26ClNO5/c1-32-23-12-19(26(30)31)13-24(14-23)33-22-8-6-16-5-7-21(10-18(16)11-22)28-15-25(29)17-3-2-4-20(27)9-17/h2-4,6,8-9,11-14,21,25,28-29H,5,7,10,15H2,1H3,(H,30,31)/t21-,25-/m0/s1
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n/an/an/an/a 5.30n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50273006
PNG
(3-Amino-5-[((7S)-7-{[(2R)-2-(3-chlorophenyl)-2-hyd...)
Show SMILES Nc1cc(Oc2ccc3CC[C@@H](Cc3c2)NC[C@H](O)c2cccc(Cl)c2)cc(c1)C(O)=O |r|
Show InChI InChI=1S/C25H25ClN2O4/c26-19-3-1-2-16(8-19)24(29)14-28-21-6-4-15-5-7-22(11-17(15)10-21)32-23-12-18(25(30)31)9-20(27)13-23/h1-3,5,7-9,11-13,21,24,28-29H,4,6,10,14,27H2,(H,30,31)/t21-,24-/m0/s1
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n/an/an/an/a 3.20n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50272878
PNG
(6-((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(cc2C1)-c1ccc(cn1)C(O)=O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C24H23ClN2O3/c25-20-3-1-2-17(11-20)23(28)14-26-21-8-6-15-4-5-16(10-19(15)12-21)22-9-7-18(13-27-22)24(29)30/h1-5,7,9-11,13,21,23,26,28H,6,8,12,14H2,(H,29,30)/t21-,23-/m0/s1
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n/an/an/an/a 490n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50272763
PNG
(CHEMBL496467 | {3-[((7S)-7-{[(2R)-2-(3-Chloropheny...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(Oc3cccc(OCC(O)=O)c3)cc2C1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C26H26ClNO5/c27-20-4-1-3-18(11-20)25(29)15-28-21-9-7-17-8-10-24(13-19(17)12-21)33-23-6-2-5-22(14-23)32-16-26(30)31/h1-6,8,10-11,13-14,21,25,28-29H,7,9,12,15-16H2,(H,30,31)/t21-,25-/m0/s1
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n/an/an/an/a 22n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50273206
PNG
(4-((7S)-7-{[(2R)-2-(4-Chlorophenyl)-2-hydroxyethyl...)
Show SMILES COc1cc(ccc1C(O)=O)-c1ccc2CC[C@@H](Cc2c1)NC[C@H](O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C26H26ClNO4/c1-32-25-14-19(7-11-23(25)26(30)31)18-3-2-16-6-10-22(13-20(16)12-18)28-15-24(29)17-4-8-21(27)9-5-17/h2-5,7-9,11-12,14,22,24,28-29H,6,10,13,15H2,1H3,(H,30,31)/t22-,24-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50273205
PNG
(4-((7S)-7-{[(2R)-2-(4-Chlorophenyl)-2-hydroxyethyl...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(cc2C1)-c1ccc(C(O)=O)c(F)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H23ClFNO3/c26-20-7-3-16(4-8-20)24(29)14-28-21-9-5-15-1-2-17(11-19(15)12-21)18-6-10-22(25(30)31)23(27)13-18/h1-4,6-8,10-11,13,21,24,28-29H,5,9,12,14H2,(H,30,31)/t21-,24-/m0/s1
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n/an/an/an/a 650n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50273005
PNG
(3-[((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethy...)
Show SMILES COc1cc(Oc2ccc3CC[C@@H](Cc3c2)NC[C@H](O)c2cccc(Cl)c2)cc(c1)C(O)=O |r|
Show InChI InChI=1S/C26H26ClNO5/c1-32-23-12-19(26(30)31)13-24(14-23)33-22-8-6-16-5-7-21(10-18(16)11-22)28-15-25(29)17-3-2-4-20(27)9-17/h2-4,6,8-9,11-14,21,25,28-29H,5,7,10,15H2,1H3,(H,30,31)/t21-,25-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50272842
PNG
(4-((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(cc2C1)-c1ccc(OCC(O)=O)cc1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C26H26ClNO4/c27-22-3-1-2-20(13-22)25(29)15-28-23-9-6-18-4-5-19(12-21(18)14-23)17-7-10-24(11-8-17)32-16-26(30)31/h1-5,7-8,10-13,23,25,28-29H,6,9,14-16H2,(H,30,31)/t23-,25-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50273151
PNG
(4-((S)-7-((R)-2-hydroxy-2-(4-(trifluoromethyl)phen...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(cc2C1)-c1ccc(cc1)C(O)=O)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C26H24F3NO3/c27-26(28,29)22-10-7-18(8-11-22)24(31)15-30-23-12-9-17-3-6-20(13-21(17)14-23)16-1-4-19(5-2-16)25(32)33/h1-8,10-11,13,23-24,30-31H,9,12,14-15H2,(H,32,33)/t23-,24-/m0/s1
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Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50272803
PNG
(3-[((8S)-8-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethy...)
Show SMILES O[C@@H](CN[C@H]1CCCc2ccc(Oc3cccc(c3)C(O)=O)cc2C1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C26H26ClNO4/c27-21-7-1-5-18(12-21)25(29)16-28-22-8-2-4-17-10-11-24(15-20(17)13-22)32-23-9-3-6-19(14-23)26(30)31/h1,3,5-7,9-12,14-15,22,25,28-29H,2,4,8,13,16H2,(H,30,31)/t22-,25-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50273047
PNG
(5-[((7S)-7-{[(2R)-2-(4-Chlorophenyl)-2-hydroxyethy...)
Show SMILES COc1ccc(Oc2ccc3CC[C@@H](Cc3c2)NC[C@H](O)c2ccc(Cl)cc2)cc1C(O)=O |r|
Show InChI InChI=1S/C26H26ClNO5/c1-32-25-11-10-22(14-23(25)26(30)31)33-21-9-5-16-4-8-20(12-18(16)13-21)28-15-24(29)17-2-6-19(27)7-3-17/h2-3,5-7,9-11,13-14,20,24,28-29H,4,8,12,15H2,1H3,(H,30,31)/t20-,24-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50272766
PNG
(4-[((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethy...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(Oc3ccc(cc3)C(O)=O)cc2C1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C25H24ClNO4/c26-20-3-1-2-18(12-20)24(28)15-27-21-8-4-16-5-11-23(14-19(16)13-21)31-22-9-6-17(7-10-22)25(29)30/h1-3,5-7,9-12,14,21,24,27-28H,4,8,13,15H2,(H,29,30)/t21-,24-/m0/s1
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n/an/an/an/a>100n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50272843
PNG
(3-((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(cc2C1)-c1cccc(c1)C(O)=O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C25H24ClNO3/c26-22-6-2-4-19(13-22)24(28)15-27-23-10-9-16-7-8-18(12-21(16)14-23)17-3-1-5-20(11-17)25(29)30/h1-8,11-13,23-24,27-28H,9-10,14-15H2,(H,29,30)/t23-,24-/m0/s1
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n/an/an/an/a>100n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50272842
PNG
(4-((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(cc2C1)-c1ccc(OCC(O)=O)cc1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C26H26ClNO4/c27-22-3-1-2-20(13-22)25(29)15-28-23-9-6-18-4-5-19(12-21(18)14-23)17-7-10-24(11-8-17)32-16-26(30)31/h1-5,7-8,10-13,23,25,28-29H,6,9,14-16H2,(H,30,31)/t23-,25-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50273045
PNG
(3-[((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethy...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(Oc3cc(NC4CCOCC4)cc(c3)C(O)=O)cc2C1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C30H33ClN2O5/c31-23-3-1-2-20(12-23)29(34)18-32-25-6-4-19-5-7-27(15-21(19)13-25)38-28-16-22(30(35)36)14-26(17-28)33-24-8-10-37-11-9-24/h1-3,5,7,12,14-17,24-25,29,32-34H,4,6,8-11,13,18H2,(H,35,36)/t25-,29-/m0/s1
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n/an/an/an/a 1n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50272876
PNG
(4-((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(cc2C1)-c1ccc(cc1)C(O)=O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C25H24ClNO3/c26-22-3-1-2-20(13-22)24(28)15-27-23-11-10-17-6-9-19(12-21(17)14-23)16-4-7-18(8-5-16)25(29)30/h1-9,12-13,23-24,27-28H,10-11,14-15H2,(H,29,30)/t23-,24-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50273078
PNG
(3-[((7S)-7-{[(2R)-2-(6-Chloro-3-pyridinyl)-2-hydro...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(Oc3cccc(c3)C(O)=O)cc2C1)c1ccc(Cl)nc1 |r|
Show InChI InChI=1S/C24H23ClN2O4/c25-23-9-6-17(13-27-23)22(28)14-26-19-7-4-15-5-8-21(12-18(15)10-19)31-20-3-1-2-16(11-20)24(29)30/h1-3,5-6,8-9,11-13,19,22,26,28H,4,7,10,14H2,(H,29,30)/t19-,22-/m0/s1
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n/an/an/an/a 4.10n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50273080
PNG
(3-[((7S)-7-{[(2R)-2-(6-Chloro-3-pyridinyl)-2-hydro...)
Show SMILES CN(C)c1cc(Oc2ccc3CC[C@@H](Cc3c2)NC[C@H](O)c2ccc(Cl)nc2)cc(c1)C(O)=O |r|
Show InChI InChI=1S/C26H28ClN3O4/c1-30(2)21-10-19(26(32)33)12-23(13-21)34-22-7-4-16-3-6-20(9-18(16)11-22)28-15-24(31)17-5-8-25(27)29-14-17/h4-5,7-8,10-14,20,24,28,31H,3,6,9,15H2,1-2H3,(H,32,33)/t20-,24-/m0/s1
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n/an/an/an/a 1.80n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50272766
PNG
(4-[((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethy...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(Oc3ccc(cc3)C(O)=O)cc2C1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C25H24ClNO4/c26-20-3-1-2-18(12-20)24(28)15-27-21-8-4-16-5-11-23(14-19(16)13-21)31-22-9-6-17(7-10-22)25(29)30/h1-3,5-7,9-12,14,21,24,27-28H,4,8,13,15H2,(H,29,30)/t21-,24-/m0/s1
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n/an/an/an/a 37n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50272841
PNG
(CHEMBL497281 | [3-((7S)-7-{[(2R)-2-(3-Chlorophenyl...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(cc2C1)-c1cccc(OCC(O)=O)c1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C26H26ClNO4/c27-22-5-1-4-20(12-22)25(29)15-28-23-10-9-17-7-8-19(11-21(17)13-23)18-3-2-6-24(14-18)32-16-26(30)31/h1-8,11-12,14,23,25,28-29H,9-10,13,15-16H2,(H,30,31)/t23-,25-/m0/s1
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n/an/an/an/a 10n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50272840
PNG
(5-[((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethy...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(Oc3ccc(s3)C(O)=O)cc2C1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C23H22ClNO4S/c24-17-3-1-2-15(10-17)20(26)13-25-18-6-4-14-5-7-19(12-16(14)11-18)29-22-9-8-21(30-22)23(27)28/h1-3,5,7-10,12,18,20,25-26H,4,6,11,13H2,(H,27,28)/t18-,20-/m0/s1
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n/an/an/an/a 5.70n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50272878
PNG
(6-((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(cc2C1)-c1ccc(cn1)C(O)=O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C24H23ClN2O3/c25-20-3-1-2-17(11-20)23(28)14-26-21-8-6-15-4-5-16(10-19(15)12-21)22-9-7-18(13-27-22)24(29)30/h1-5,7,9-11,13,21,23,26,28H,6,8,12,14H2,(H,29,30)/t21-,23-/m0/s1
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n/an/an/an/a 9.60n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50272843
PNG
(3-((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(cc2C1)-c1cccc(c1)C(O)=O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C25H24ClNO3/c26-22-6-2-4-19(13-22)24(28)15-27-23-10-9-16-7-8-18(12-21(16)14-23)17-3-1-5-20(11-17)25(29)30/h1-8,11-13,23-24,27-28H,9-10,14-15H2,(H,29,30)/t23-,24-/m0/s1
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n/an/an/an/a 29n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50273154
PNG
(4-((S)-7-((R)-2-(6-chloropyridin-3-yl)-2-hydroxyet...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(cc2C1)-c1ccc(cc1)C(O)=O)c1ccc(Cl)nc1 |r|
Show InChI InChI=1S/C24H23ClN2O3/c25-23-10-8-19(13-27-23)22(28)14-26-21-9-7-16-3-6-18(11-20(16)12-21)15-1-4-17(5-2-15)24(29)30/h1-6,8,10-11,13,21-22,26,28H,7,9,12,14H2,(H,29,30)/t21-,22-/m0/s1
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n/an/an/an/a 0.850n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50273207
PNG
(4-((7S)-7-{[(2R)-2-(4-Chlorophenyl)-2-hydroxyethyl...)
Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc2CC[C@@H](Cc2c1)NC[C@H](O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C28H30ClNO4/c1-17(2)34-27-15-21(8-12-25(27)28(32)33)20-4-3-18-7-11-24(14-22(18)13-20)30-16-26(31)19-5-9-23(29)10-6-19/h3-6,8-10,12-13,15,17,24,26,30-31H,7,11,14,16H2,1-2H3,(H,32,33)/t24-,26-/m0/s1
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n/an/an/an/a 310n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50273153
PNG
(4-((7S)-7-{[(2R)-2-Hydroxy-2-(3-pyridinyl)ethyl]am...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(cc2C1)-c1ccc(cc1)C(O)=O)c1cccnc1 |r|
Show InChI InChI=1S/C24H24N2O3/c27-23(20-2-1-11-25-14-20)15-26-22-10-9-17-5-8-19(12-21(17)13-22)16-3-6-18(7-4-16)24(28)29/h1-8,11-12,14,22-23,26-27H,9-10,13,15H2,(H,28,29)/t22-,23-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50273114
PNG
(4-((7S)-7-{[(2R)-2-Hydroxy-2-(4-methylphenyl)ethyl...)
Show SMILES Cc1ccc(cc1)[C@@H](O)CN[C@H]1CCc2ccc(cc2C1)-c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C26H27NO3/c1-17-2-4-20(5-3-17)25(28)16-27-24-13-12-19-8-11-22(14-23(19)15-24)18-6-9-21(10-7-18)26(29)30/h2-11,14,24-25,27-28H,12-13,15-16H2,1H3,(H,29,30)/t24-,25-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50273154
PNG
(4-((S)-7-((R)-2-(6-chloropyridin-3-yl)-2-hydroxyet...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(cc2C1)-c1ccc(cc1)C(O)=O)c1ccc(Cl)nc1 |r|
Show InChI InChI=1S/C24H23ClN2O3/c25-23-10-8-19(13-27-23)22(28)14-26-21-9-7-16-3-6-18(11-20(16)12-21)15-1-4-17(5-2-15)24(29)30/h1-6,8,10-11,13,21-22,26,28H,7,9,12,14H2,(H,29,30)/t21-,22-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50272616
PNG
(2-Chloro-5-[((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hy...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(Oc3ccc(Cl)c(c3)C(O)=O)cc2C1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C25H23Cl2NO4/c26-18-3-1-2-16(10-18)24(29)14-28-19-6-4-15-5-7-20(12-17(15)11-19)32-21-8-9-23(27)22(13-21)25(30)31/h1-3,5,7-10,12-13,19,24,28-29H,4,6,11,14H2,(H,30,31)/t19-,24-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50272642
PNG
(5-[((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethy...)
Show SMILES COc1ccc(Oc2ccc3CC[C@@H](Cc3c2)NC[C@H](O)c2cccc(Cl)c2)cc1C(O)=O |r|
Show InChI InChI=1S/C26H26ClNO5/c1-32-25-10-9-22(14-23(25)26(30)31)33-21-8-6-16-5-7-20(12-18(16)13-21)28-15-24(29)17-3-2-4-19(27)11-17/h2-4,6,8-11,13-14,20,24,28-29H,5,7,12,15H2,1H3,(H,30,31)/t20-,24-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50272615
PNG
(3-[((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethy...)
Show SMILES CN(C)c1cc(Oc2ccc3CC[C@@H](Cc3c2)NC[C@H](O)c2cccc(Cl)c2)cc(c1)C(O)=O |r|
Show InChI InChI=1S/C27H29ClN2O4/c1-30(2)23-12-20(27(32)33)14-25(15-23)34-24-9-7-17-6-8-22(11-19(17)13-24)29-16-26(31)18-4-3-5-21(28)10-18/h3-5,7,9-10,12-15,22,26,29,31H,6,8,11,16H2,1-2H3,(H,32,33)/t22-,26-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50273007
PNG
(3-(Acetylamino)-5-[((7S)-7-{[(2R)-2-(3-chloropheny...)
Show SMILES CC(=O)Nc1cc(Oc2ccc3CC[C@@H](Cc3c2)NC[C@H](O)c2cccc(Cl)c2)cc(c1)C(O)=O |r|
Show InChI InChI=1S/C27H27ClN2O5/c1-16(31)30-23-11-20(27(33)34)13-25(14-23)35-24-8-6-17-5-7-22(10-19(17)12-24)29-15-26(32)18-3-2-4-21(28)9-18/h2-4,6,8-9,11-14,22,26,29,32H,5,7,10,15H2,1H3,(H,30,31)(H,33,34)/t22-,26-/m0/s1
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n/an/an/an/a 360n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50273008
PNG
(3-{[(7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethy...)
Show SMILES CCCNc1cc(Oc2ccc3CC[C@@H](Cc3c2)NC[C@H](O)c2cccc(Cl)c2)cc(c1)C(O)=O |r|
Show InChI InChI=1S/C28H31ClN2O4/c1-2-10-30-24-13-21(28(33)34)15-26(16-24)35-25-9-7-18-6-8-23(12-20(18)14-25)31-17-27(32)19-4-3-5-22(29)11-19/h3-5,7,9,11,13-16,23,27,30-32H,2,6,8,10,12,17H2,1H3,(H,33,34)/t23-,27-/m0/s1
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n/an/an/an/a 173n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50273079
PNG
(5-[((7S)-7-{[(2R)-2-(6-Chloro-3-pyridinyl)-2-hydro...)
Show SMILES COc1ccc(Oc2ccc3CC[C@@H](Cc3c2)NC[C@H](O)c2ccc(Cl)nc2)cc1C(O)=O |r|
Show InChI InChI=1S/C25H25ClN2O5/c1-32-23-8-7-20(12-21(23)25(30)31)33-19-6-3-15-2-5-18(10-17(15)11-19)27-14-22(29)16-4-9-24(26)28-13-16/h3-4,6-9,11-13,18,22,27,29H,2,5,10,14H2,1H3,(H,30,31)/t18-,22-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50273080
PNG
(3-[((7S)-7-{[(2R)-2-(6-Chloro-3-pyridinyl)-2-hydro...)
Show SMILES CN(C)c1cc(Oc2ccc3CC[C@@H](Cc3c2)NC[C@H](O)c2ccc(Cl)nc2)cc(c1)C(O)=O |r|
Show InChI InChI=1S/C26H28ClN3O4/c1-30(2)21-10-19(26(32)33)12-23(13-21)34-22-7-4-16-3-6-20(9-18(16)11-22)28-15-24(31)17-5-8-25(27)29-14-17/h4-5,7-8,10-14,20,24,28,31H,3,6,9,15H2,1-2H3,(H,32,33)/t20-,24-/m0/s1
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n/an/an/an/a 270n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50240563
PNG
(CHEMBL59765 | ethyl 2-((S)-8-((R)-2-(3-chloropheny...)
Show SMILES CCOC(=O)COc1ccc2CCC[C@@H](Cc2c1)NC[C@H](O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C23H28ClNO4/c1-2-28-23(27)15-29-21-10-9-16-5-4-8-20(12-18(16)13-21)25-14-22(26)17-6-3-7-19(24)11-17/h3,6-7,9-11,13,20,22,25-26H,2,4-5,8,12,14-15H2,1H3/t20-,22-/m0/s1
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n/an/an/an/a 16n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50272804
PNG
(4-[((8S)-8-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethy...)
Show SMILES O[C@@H](CN[C@H]1CCCc2ccc(Oc3ccc(cc3)C(O)=O)cc2C1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C26H26ClNO4/c27-21-5-1-4-19(13-21)25(29)16-28-22-6-2-3-17-7-12-24(15-20(17)14-22)32-23-10-8-18(9-11-23)26(30)31/h1,4-5,7-13,15,22,25,28-29H,2-3,6,14,16H2,(H,30,31)/t22-,25-/m0/s1
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n/an/an/an/a>100n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50273007
PNG
(3-(Acetylamino)-5-[((7S)-7-{[(2R)-2-(3-chloropheny...)
Show SMILES CC(=O)Nc1cc(Oc2ccc3CC[C@@H](Cc3c2)NC[C@H](O)c2cccc(Cl)c2)cc(c1)C(O)=O |r|
Show InChI InChI=1S/C27H27ClN2O5/c1-16(31)30-23-11-20(27(33)34)13-25(14-23)35-24-8-6-17-5-7-22(10-19(17)12-24)29-15-26(32)18-3-2-4-21(28)9-18/h2-4,6,8-9,11-14,22,26,29,32H,5,7,10,15H2,1H3,(H,30,31)(H,33,34)/t22-,26-/m0/s1
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n/an/an/an/a 1.30n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50272877
PNG
(4-[(8S)-8-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl...)
Show SMILES O[C@@H](CN[C@H]1CCCc2ccc(cc2C1)-c1ccc(cc1)C(O)=O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C26H26ClNO3/c27-23-5-1-4-21(14-23)25(29)16-28-24-6-2-3-17-9-12-20(13-22(17)15-24)18-7-10-19(11-8-18)26(30)31/h1,4-5,7-14,24-25,28-29H,2-3,6,15-16H2,(H,30,31)/t24-,25-/m0/s1
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n/an/an/an/a>100n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50272879
PNG
(5-((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(cc2C1)-c1ccc(s1)C(O)=O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C23H22ClNO3S/c24-18-3-1-2-15(11-18)20(26)13-25-19-7-6-14-4-5-16(10-17(14)12-19)21-8-9-22(29-21)23(27)28/h1-5,8-11,19-20,25-26H,6-7,12-13H2,(H,27,28)/t19-,20-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50236187
PNG
((R)-3-(4-(2-(2-(3-chlorophenyl)-2-hydroxyethylamin...)
Show SMILES O[C@@H](CNCCc1ccc(Oc2cccc(c2)C(O)=O)cc1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C23H22ClNO4/c24-19-5-1-3-17(13-19)22(26)15-25-12-11-16-7-9-20(10-8-16)29-21-6-2-4-18(14-21)23(27)28/h1-10,13-14,22,25-26H,11-12,15H2,(H,27,28)/t22-/m0/s1
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n/an/an/an/a>100n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50272805
PNG
(6-[((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethy...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(Oc3ccc(cn3)C(O)=O)cc2C1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C24H23ClN2O4/c25-19-3-1-2-16(10-19)22(28)14-26-20-7-4-15-5-8-21(12-18(15)11-20)31-23-9-6-17(13-27-23)24(29)30/h1-3,5-6,8-10,12-13,20,22,26,28H,4,7,11,14H2,(H,29,30)/t20-,22-/m0/s1
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n/an/an/an/a 1.5n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50272763
PNG
(CHEMBL496467 | {3-[((7S)-7-{[(2R)-2-(3-Chloropheny...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(Oc3cccc(OCC(O)=O)c3)cc2C1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C26H26ClNO5/c27-20-4-1-3-18(11-20)25(29)15-28-21-9-7-17-8-10-24(13-19(17)12-21)33-23-6-2-5-22(14-23)32-16-26(30)31/h1-6,8,10-11,13-14,21,25,28-29H,7,9,12,15-16H2,(H,30,31)/t21-,25-/m0/s1
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n/an/an/an/a>100n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50273206
PNG
(4-((7S)-7-{[(2R)-2-(4-Chlorophenyl)-2-hydroxyethyl...)
Show SMILES COc1cc(ccc1C(O)=O)-c1ccc2CC[C@@H](Cc2c1)NC[C@H](O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C26H26ClNO4/c1-32-25-14-19(7-11-23(25)26(30)31)18-3-2-16-6-10-22(13-20(16)12-18)28-15-24(29)17-4-8-21(27)9-5-17/h2-5,7-9,11-12,14,22,24,28-29H,6,10,13,15H2,1H3,(H,30,31)/t22-,24-/m0/s1
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n/an/an/an/a 0.780n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50273204
PNG
(4-((7S)-7-{[(2R)-2-(4-Chlorophenyl)-2-hydroxyethyl...)
Show SMILES Cc1cc(ccc1C(O)=O)-c1ccc2CC[C@@H](Cc2c1)NC[C@H](O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C26H26ClNO3/c1-16-12-19(7-11-24(16)26(30)31)20-3-2-17-6-10-23(14-21(17)13-20)28-15-25(29)18-4-8-22(27)9-5-18/h2-5,7-9,11-13,23,25,28-29H,6,10,14-15H2,1H3,(H,30,31)/t23-,25-/m0/s1
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n/an/an/an/a 1.80n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50273115
PNG
(4-((S)-7-((R)-2-(4-cyanophenyl)-2-hydroxyethylamin...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(cc2C1)-c1ccc(cc1)C(O)=O)c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C26H24N2O3/c27-15-17-1-3-20(4-2-17)25(29)16-28-24-12-11-19-7-10-22(13-23(19)14-24)18-5-8-21(9-6-18)26(30)31/h1-10,13,24-25,28-29H,11-12,14,16H2,(H,30,31)/t24-,25-/m0/s1
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n/an/an/an/a 28n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50273247
PNG
(4-((7S)-7-{[(2R)-2-(4-Chlorophenyl)-2-hydroxyethyl...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(cc2C1)-c1ccc(cc1F)C(O)=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H23ClFNO3/c26-20-7-3-16(4-8-20)24(29)14-28-21-9-5-15-1-2-17(11-19(15)12-21)22-10-6-18(25(30)31)13-23(22)27/h1-4,6-8,10-11,13,21,24,28-29H,5,9,12,14H2,(H,30,31)/t21-,24-/m0/s1
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n/an/an/an/a 980n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50273204
PNG
(4-((7S)-7-{[(2R)-2-(4-Chlorophenyl)-2-hydroxyethyl...)
Show SMILES Cc1cc(ccc1C(O)=O)-c1ccc2CC[C@@H](Cc2c1)NC[C@H](O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C26H26ClNO3/c1-16-12-19(7-11-24(16)26(30)31)20-3-2-17-6-10-23(14-21(17)13-20)28-15-25(29)18-4-8-22(27)9-5-18/h2-5,7-9,11-13,23,25,28-29H,6,10,14-15H2,1H3,(H,30,31)/t23-,25-/m0/s1
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n/an/an/an/a 825n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50273154
PNG
(4-((S)-7-((R)-2-(6-chloropyridin-3-yl)-2-hydroxyet...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(cc2C1)-c1ccc(cc1)C(O)=O)c1ccc(Cl)nc1 |r|
Show InChI InChI=1S/C24H23ClN2O3/c25-23-10-8-19(13-27-23)22(28)14-26-21-9-7-16-3-6-18(11-20(16)12-21)15-1-4-17(5-2-15)24(29)30/h1-6,8,10-11,13,21-22,26,28H,7,9,12,14H2,(H,29,30)/t21-,22-/m0/s1
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n/an/an/an/a 200n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50273113
PNG
(4-((S)-7-((R)-2-(4-chlorophenyl)-2-hydroxyethylami...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(cc2C1)-c1ccc(cc1)C(O)=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H24ClNO3/c26-22-10-7-18(8-11-22)24(28)15-27-23-12-9-17-3-6-20(13-21(17)14-23)16-1-4-19(5-2-16)25(29)30/h1-8,10-11,13,23-24,27-28H,9,12,14-15H2,(H,29,30)/t23-,24-/m0/s1
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n/an/an/an/a 917n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50272921
PNG
(5-[((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethy...)
Show SMILES Cc1ccc(Oc2ccc3CC[C@@H](Cc3c2)NC[C@H](O)c2cccc(Cl)c2)cc1C(O)=O |r|
Show InChI InChI=1S/C26H26ClNO4/c1-16-5-9-23(14-24(16)26(30)31)32-22-10-7-17-6-8-21(12-19(17)13-22)28-15-25(29)18-3-2-4-20(27)11-18/h2-5,7,9-11,13-14,21,25,28-29H,6,8,12,15H2,1H3,(H,30,31)/t21-,25-/m0/s1
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Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%