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PubMed code 18307290

Compile data set for download or QSAR
Found 97 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))		BDBM50236181
PNG
((R)-4'-(2-(2-hydroxy-2-phenylethylamino)ethyl)-3-i...)
Show SMILES CC(C)Cc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1 |r|
Show InChI InChI=1S/C27H31NO3/c1-19(2)16-24-17-23(12-13-25(24)27(30)31)21-10-8-20(9-11-21)14-15-28-18-26(29)22-6-4-3-5-7-22/h3-13,17,19,26,28-29H,14-16,18H2,1-2H3,(H,30,31)/t26-/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 by EIA

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50236185
PNG
((R)-4'-(2-(2-hydroxy-2-phenylethylamino)ethyl)-3-i...)
Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1 |r|
Show InChI InChI=1S/C26H29NO4/c1-18(2)31-25-16-22(12-13-23(25)26(29)30)20-10-8-19(9-11-20)14-15-27-17-24(28)21-6-4-3-5-7-21/h3-13,16,18,24,27-28H,14-15,17H2,1-2H3,(H,29,30)/t24-/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 by EIA

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
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 by EIA

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
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 beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by EIA

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50236160
PNG
((R)-4'-(2-(2-hydroxy-2-phenylethylamino)ethyl)-3-(...)
Show SMILES CC(C)Nc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1 |r|
Show InChI InChI=1S/C26H30N2O3/c1-18(2)28-24-16-22(12-13-23(24)26(30)31)20-10-8-19(9-11-20)14-15-27-17-25(29)21-6-4-3-5-7-21/h3-13,16,18,25,27-29H,14-15,17H2,1-2H3,(H,30,31)/t25-/m0/s1
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n/an/an/an/a 170n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50236150
PNG
((R)-4-(4-(2-(2-(3-chlorophenyl)-2-hydroxyethylamin...)
Show SMILES O[C@@H](CNCCc1ccc(Oc2ccc(cc2)C(O)=O)cc1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C23H22ClNO4/c24-19-3-1-2-18(14-19)22(26)15-25-13-12-16-4-8-20(9-5-16)29-21-10-6-17(7-11-21)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>100n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50372679
PNG
(CHEMBL260100)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1cccc(c1)C(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H22ClNO3/c24-21-6-2-4-19(14-21)22(26)15-25-12-11-16-7-9-17(10-8-16)18-3-1-5-20(13-18)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 beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by EIA

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Canis familiaris)		BDBM50236183
PNG
((R)-4'-(2-(2-(3-chlorophenyl)-2-hydroxyethylamino)...)
Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1 |r|
Show InChI InChI=1S/C26H28ClNO4/c1-17(2)32-25-15-20(10-11-23(25)26(30)31)19-8-6-18(7-9-19)12-13-28-16-24(29)21-4-3-5-22(27)14-21/h3-11,14-15,17,24,28-29H,12-13,16H2,1-2H3,(H,30,31)/t24-/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 dog beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50236160
PNG
((R)-4'-(2-(2-hydroxy-2-phenylethylamino)ethyl)-3-(...)
Show SMILES CC(C)Nc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1 |r|
Show InChI InChI=1S/C26H30N2O3/c1-18(2)28-24-16-22(12-13-23(24)26(30)31)20-10-8-19(9-11-20)14-15-27-17-25(29)21-6-4-3-5-7-21/h3-13,16,18,25,27-29H,14-15,17H2,1-2H3,(H,30,31)/t25-/m0/s1
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n/an/an/an/a 0.290n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50372691
PNG
(CHEMBL257106)
Show SMILES O[C@@H](CNCCc1ccc(c(Cl)c1)-c1ccc(cc1)C(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H21Cl2NO3/c24-19-3-1-2-18(13-19)22(27)14-26-11-10-15-4-9-20(21(25)12-15)16-5-7-17(8-6-16)23(28)29/h1-9,12-13,22,26-27H,10-11,14H2,(H,28,29)/t22-/m0/s1
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n/an/an/an/a 9.70n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50372694
PNG
(CHEMBL408145)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(cc1F)C(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H21ClFNO3/c24-19-3-1-2-17(12-19)22(27)14-26-11-10-15-4-6-16(7-5-15)20-9-8-18(23(28)29)13-21(20)25/h1-9,12-13,22,26-27H,10-11,14H2,(H,28,29)/t22-/m0/s1
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n/an/an/an/a 4.90n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50236182
PNG
((R)-4'-(2-(2-(3-chlorophenyl)-2-hydroxyethylamino)...)
Show SMILES COc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1 |r|
Show InChI InChI=1S/C24H24ClNO4/c1-30-23-14-18(9-10-21(23)24(28)29)17-7-5-16(6-8-17)11-12-26-15-22(27)19-3-2-4-20(25)13-19/h2-10,13-14,22,26-27H,11-12,15H2,1H3,(H,28,29)/t22-/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 beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by EIA

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50236184
PNG
((R)-4'-(2-(2-hydroxy-2-phenylethylamino)ethyl)-3-(...)
Show SMILES CC(C)Sc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1 |r|
Show InChI InChI=1S/C26H29NO3S/c1-18(2)31-25-16-22(12-13-23(25)26(29)30)20-10-8-19(9-11-20)14-15-27-17-24(28)21-6-4-3-5-7-21/h3-13,16,18,24,27-28H,14-15,17H2,1-2H3,(H,29,30)/t24-/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 beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by EIA

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
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 beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by EIA

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50236183
PNG
((R)-4'-(2-(2-(3-chlorophenyl)-2-hydroxyethylamino)...)
Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1 |r|
Show InChI InChI=1S/C26H28ClNO4/c1-17(2)32-25-15-20(10-11-23(25)26(30)31)19-8-6-18(7-9-19)12-13-28-16-24(29)21-4-3-5-22(27)14-21/h3-11,14-15,17,24,28-29H,12-13,16H2,1-2H3,(H,30,31)/t24-/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 by EIA

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50372674
PNG
(CHEMBL269920)
Show SMILES Cc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C24H24ClNO3/c1-16-13-19(9-10-22(16)24(28)29)18-7-5-17(6-8-18)11-12-26-15-23(27)20-3-2-4-21(25)14-20/h2-10,13-14,23,26-27H,11-12,15H2,1H3,(H,28,29)/t23-/m0/s1
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n/an/an/an/a 15n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50372675
PNG
(CHEMBL272234)
Show SMILES O[C@@H](CNCCc1ccc(Oc2ccc(cn2)C(O)=O)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C22H21ClN2O4/c23-18-3-1-2-16(12-18)20(26)14-24-11-10-15-4-7-19(8-5-15)29-21-9-6-17(13-25-21)22(27)28/h1-9,12-13,20,24,26H,10-11,14H2,(H,27,28)/t20-/m0/s1
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n/an/an/an/a 8.70n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50372683
PNG
(CHEMBL536108)
Show SMILES CN(c1ccc(CCNCC(O)c2cccc(Cl)c2)cc1)c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C25H27ClN2O4/c1-28(22-9-11-23(12-10-22)32-17-25(30)31)21-7-5-18(6-8-21)13-14-27-16-24(29)19-3-2-4-20(26)15-19/h2-12,15,24,27,29H,13-14,16-17H2,1H3,(H,30,31)
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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 beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by EIA

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50372686
PNG
(CHEMBL271401)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCOCC2)c1)c1ccccc1
Show InChI InChI=1S/C28H31NO5/c30-26(22-4-2-1-3-5-22)19-29-15-12-20-6-8-21(9-7-20)23-10-11-25(28(31)32)27(18-23)34-24-13-16-33-17-14-24/h1-11,18,24,26,29-30H,12-17,19H2,(H,31,32)/t26-/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 beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by EIA

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50236181
PNG
((R)-4'-(2-(2-hydroxy-2-phenylethylamino)ethyl)-3-i...)
Show SMILES CC(C)Cc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1 |r|
Show InChI InChI=1S/C27H31NO3/c1-19(2)16-24-17-23(12-13-25(24)27(30)31)21-10-8-20(9-11-21)14-15-28-18-26(29)22-6-4-3-5-7-22/h3-13,17,19,26,28-29H,14-16,18H2,1-2H3,(H,30,31)/t26-/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 beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by EIA

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50236165
PNG
((R)-3-(cyclohexyloxy)-4'-(2-(2-hydroxy-2-phenyleth...)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1)c1ccccc1 |r|
Show InChI InChI=1S/C29H33NO4/c31-27(23-7-3-1-4-8-23)20-30-18-17-21-11-13-22(14-12-21)24-15-16-26(29(32)33)28(19-24)34-25-9-5-2-6-10-25/h1,3-4,7-8,11-16,19,25,27,30-31H,2,5-6,9-10,17-18,20H2,(H,32,33)/t27-/m0/s1
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n/an/an/an/a 260n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50236168
PNG
((R)-4'-(2-(2-(3-chlorophenyl)-2-hydroxyethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C29H32ClNO4/c30-24-6-4-5-23(17-24)27(32)19-31-16-15-20-9-11-21(12-10-20)22-13-14-26(29(33)34)28(18-22)35-25-7-2-1-3-8-25/h4-6,9-14,17-18,25,27,31-32H,1-3,7-8,15-16,19H2,(H,33,34)/t27-/m0/s1
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n/an/an/an/a 55n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50372694
PNG
(CHEMBL408145)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(cc1F)C(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H21ClFNO3/c24-19-3-1-2-17(12-19)22(27)14-26-11-10-15-4-6-16(7-5-15)20-9-8-18(23(28)29)13-21(20)25/h1-9,12-13,22,26-27H,10-11,14H2,(H,28,29)/t22-/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 beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by EIA

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50372678
PNG
(CHEMBL409827)
Show SMILES O[C@@H](CNCCc1ccc(Nc2ccc(cc2)C(O)=O)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C23H23ClN2O3/c24-19-3-1-2-18(14-19)22(27)15-25-13-12-16-4-8-20(9-5-16)26-21-10-6-17(7-11-21)23(28)29/h1-11,14,22,25-27H,12-13,15H2,(H,28,29)/t22-/m0/s1
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n/an/an/an/a 3.90n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50372682
PNG
(CHEMBL270027)
Show SMILES O[C@@H](CNCCc1ccc(Cc2ccc(OCC(O)=O)cc2)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C25H26ClNO4/c26-22-3-1-2-21(15-22)24(28)16-27-13-12-18-4-6-19(7-5-18)14-20-8-10-23(11-9-20)31-17-25(29)30/h1-11,15,24,27-28H,12-14,16-17H2,(H,29,30)/t24-/m0/s1
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n/an/an/an/a 64n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50236164
PNG
((R)-4'-(2-(2-hydroxy-2-phenylethylamino)ethyl)-3-p...)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(Oc2ccccc2)c1)c1ccccc1 |r|
Show InChI InChI=1S/C29H27NO4/c31-27(23-7-3-1-4-8-23)20-30-18-17-21-11-13-22(14-12-21)24-15-16-26(29(32)33)28(19-24)34-25-9-5-2-6-10-25/h1-16,19,27,30-31H,17-18,20H2,(H,32,33)/t27-/m0/s1
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n/an/an/an/a 0.340n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50236168
PNG
((R)-4'-(2-(2-(3-chlorophenyl)-2-hydroxyethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C29H32ClNO4/c30-24-6-4-5-23(17-24)27(32)19-31-16-15-20-9-11-21(12-10-20)22-13-14-26(29(33)34)28(18-22)35-25-7-2-1-3-8-25/h4-6,9-14,17-18,25,27,31-32H,1-3,7-8,15-16,19H2,(H,33,34)/t27-/m0/s1
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n/an/an/an/a 0.460n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50372700
PNG
(CHEMBL411028)
Show SMILES CC(C)Cc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C27H30ClNO3/c1-18(2)14-23-15-21(10-11-25(23)27(31)32)20-8-6-19(7-9-20)12-13-29-17-26(30)22-4-3-5-24(28)16-22/h3-11,15-16,18,26,29-30H,12-14,17H2,1-2H3,(H,31,32)/t26-/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 beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by EIA

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50372693
PNG
(CHEMBL273028)
Show SMILES Cc1cc(ccc1-c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1)C(O)=O
Show InChI InChI=1S/C24H24ClNO3/c1-16-13-20(24(28)29)9-10-22(16)18-7-5-17(6-8-18)11-12-26-15-23(27)19-3-2-4-21(25)14-19/h2-10,13-14,23,26-27H,11-12,15H2,1H3,(H,28,29)/t23-/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 by EIA

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50372677
PNG
(CHEMBL273098)
Show SMILES O[C@@H](CNCCc1ccc(Nc2cccc(c2)C(O)=O)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C23H23ClN2O3/c24-19-5-1-3-17(13-19)22(27)15-25-12-11-16-7-9-20(10-8-16)26-21-6-2-4-18(14-21)23(28)29/h1-10,13-14,22,25-27H,11-12,15H2,(H,28,29)/t22-/m0/s1
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n/an/an/an/a 5.5n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50236150
PNG
((R)-4-(4-(2-(2-(3-chlorophenyl)-2-hydroxyethylamin...)
Show SMILES O[C@@H](CNCCc1ccc(Oc2ccc(cc2)C(O)=O)cc1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C23H22ClNO4/c24-19-3-1-2-18(14-19)22(26)15-25-13-12-16-4-8-20(9-5-16)29-21-10-6-17(7-11-21)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 100n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50372682
PNG
(CHEMBL270027)
Show SMILES O[C@@H](CNCCc1ccc(Cc2ccc(OCC(O)=O)cc2)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C25H26ClNO4/c26-22-3-1-2-21(15-22)24(28)16-27-13-12-18-4-6-19(7-5-18)14-20-8-10-23(11-9-20)31-17-25(29)30/h1-11,15,24,27-28H,12-14,16-17H2,(H,29,30)/t24-/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 beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by EIA

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50372689
PNG
(CHEMBL272583)
Show SMILES CC(C)COc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C27H30ClNO4/c1-18(2)17-33-26-15-21(10-11-24(26)27(31)32)20-8-6-19(7-9-20)12-13-29-16-25(30)22-4-3-5-23(28)14-22/h3-11,14-15,18,25,29-30H,12-13,16-17H2,1-2H3,(H,31,32)/t25-/m0/s1
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n/an/an/an/a 350n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50372674
PNG
(CHEMBL269920)
Show SMILES Cc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C24H24ClNO3/c1-16-13-19(9-10-22(16)24(28)29)18-7-5-17(6-8-18)11-12-26-15-23(27)20-3-2-4-21(25)14-20/h2-10,13-14,23,26-27H,11-12,15H2,1H3,(H,28,29)/t23-/m0/s1
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n/an/an/an/a 570n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
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 beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by EIA

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50372696
PNG
(CHEMBL271765)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(s1)C(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C21H20ClNO3S/c22-17-3-1-2-16(12-17)18(24)13-23-11-10-14-4-6-15(7-5-14)19-8-9-20(27-19)21(25)26/h1-9,12,18,23-24H,10-11,13H2,(H,25,26)/t18-/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 beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by EIA

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50372676
PNG
(CHEMBL273097)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(cn1)C(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C22H21ClN2O3/c23-19-3-1-2-17(12-19)21(26)14-24-11-10-15-4-6-16(7-5-15)20-9-8-18(13-25-20)22(27)28/h1-9,12-13,21,24,26H,10-11,14H2,(H,27,28)/t21-/m0/s1
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n/an/an/an/a 11n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Canis familiaris)		BDBM50236185
PNG
((R)-4'-(2-(2-hydroxy-2-phenylethylamino)ethyl)-3-i...)
Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1 |r|
Show InChI InChI=1S/C26H29NO4/c1-18(2)31-25-16-22(12-13-23(25)26(29)30)20-10-8-19(9-11-20)14-15-27-17-24(28)21-6-4-3-5-7-21/h3-13,16,18,24,27-28H,14-15,17H2,1-2H3,(H,29,30)/t24-/m0/s1
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n/an/an/an/a 2.90n/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: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50372701
PNG
(CHEMBL257297)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(cc1Cl)C(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H21Cl2NO3/c24-19-3-1-2-17(12-19)22(27)14-26-11-10-15-4-6-16(7-5-15)20-9-8-18(23(28)29)13-21(20)25/h1-9,12-13,22,26-27H,10-11,14H2,(H,28,29)/t22-/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 beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by EIA

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50236181
PNG
((R)-4'-(2-(2-hydroxy-2-phenylethylamino)ethyl)-3-i...)
Show SMILES CC(C)Cc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1 |r|
Show InChI InChI=1S/C27H31NO3/c1-19(2)16-24-17-23(12-13-25(24)27(30)31)21-10-8-20(9-11-21)14-15-28-18-26(29)22-6-4-3-5-7-22/h3-13,17,19,26,28-29H,14-16,18H2,1-2H3,(H,30,31)/t26-/m0/s1
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n/an/an/an/a 0.600n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50372698
PNG
(CHEMBL408957)
Show SMILES O[C@@H](CNCCc1ccc(Sc2ccc(OCC(O)=O)cc2)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C24H24ClNO4S/c25-19-3-1-2-18(14-19)23(27)15-26-13-12-17-4-8-21(9-5-17)31-22-10-6-20(7-11-22)30-16-24(28)29/h1-11,14,23,26-27H,12-13,15-16H2,(H,28,29)/t23-/m0/s1
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n/an/an/an/a 85n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50372701
PNG
(CHEMBL257297)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(cc1Cl)C(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H21Cl2NO3/c24-19-3-1-2-17(12-19)22(27)14-26-11-10-15-4-6-16(7-5-15)20-9-8-18(23(28)29)13-21(20)25/h1-9,12-13,22,26-27H,10-11,14H2,(H,28,29)/t22-/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 human beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by EIA

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50372679
PNG
(CHEMBL260100)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1cccc(c1)C(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H22ClNO3/c24-21-6-2-4-19(14-21)22(26)15-25-12-11-16-7-9-17(10-8-16)18-3-1-5-20(13-18)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 91n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50236185
PNG
((R)-4'-(2-(2-hydroxy-2-phenylethylamino)ethyl)-3-i...)
Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1 |r|
Show InChI InChI=1S/C26H29NO4/c1-18(2)31-25-16-22(12-13-23(25)26(29)30)20-10-8-19(9-11-20)14-15-27-17-24(28)21-6-4-3-5-7-21/h3-13,16,18,24,27-28H,14-15,17H2,1-2H3,(H,29,30)/t24-/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 beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by EIA

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50372697
PNG
(CHEMBL408694)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(CC(O)=O)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C24H24ClNO3/c25-22-3-1-2-21(15-22)23(27)16-26-13-12-17-4-8-19(9-5-17)20-10-6-18(7-11-20)14-24(28)29/h1-11,15,23,26-27H,12-14,16H2,(H,28,29)/t23-/m0/s1
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n/an/an/an/a 300n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50372680
PNG
(CHEMBL270025)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(OCC(O)=O)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C24H24ClNO4/c25-21-3-1-2-20(14-21)23(27)15-26-13-12-17-4-6-18(7-5-17)19-8-10-22(11-9-19)30-16-24(28)29/h1-11,14,23,26-27H,12-13,15-16H2,(H,28,29)/t23-/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 beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by EIA

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50372698
PNG
(CHEMBL408957)
Show SMILES O[C@@H](CNCCc1ccc(Sc2ccc(OCC(O)=O)cc2)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C24H24ClNO4S/c25-19-3-1-2-18(14-19)23(27)15-26-13-12-17-4-8-21(9-5-17)31-22-10-6-20(7-11-22)30-16-24(28)29/h1-11,14,23,26-27H,12-13,15-16H2,(H,28,29)/t23-/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 beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by EIA

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50372683
PNG
(CHEMBL536108)
Show SMILES CN(c1ccc(CCNCC(O)c2cccc(Cl)c2)cc1)c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C25H27ClN2O4/c1-28(22-9-11-23(12-10-22)32-17-25(30)31)21-7-5-18(6-8-21)13-14-27-16-24(29)19-3-2-4-20(26)15-19/h2-12,15,24,27,29H,13-14,16-17H2,1H3,(H,30,31)
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n/an/an/an/a 63n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50372699
PNG
(CHEMBL537693)
Show SMILES OC(CNCCc1ccc(Oc2ccc(OCC(O)=O)cc2)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C24H24ClNO5/c25-19-3-1-2-18(14-19)23(27)15-26-13-12-17-4-6-21(7-5-17)31-22-10-8-20(9-11-22)30-16-24(28)29/h1-11,14,23,26-27H,12-13,15-16H2,(H,28,29)
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n/an/an/an/a 48n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50372686
PNG
(CHEMBL271401)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCOCC2)c1)c1ccccc1
Show InChI InChI=1S/C28H31NO5/c30-26(22-4-2-1-3-5-22)19-29-15-12-20-6-8-21(9-7-20)23-10-11-25(28(31)32)27(18-23)34-24-13-16-33-17-14-24/h1-11,18,24,26,29-30H,12-17,19H2,(H,31,32)/t26-/m0/s1
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n/an/an/an/a 4n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50372690
PNG
(CHEMBL270460)
Show SMILES COc1cc(CCNC[C@H](O)c2cccc(Cl)c2)ccc1-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H24ClNO4/c1-30-23-13-16(5-10-21(23)17-6-8-18(9-7-17)24(28)29)11-12-26-15-22(27)19-3-2-4-20(25)14-19/h2-10,13-14,22,26-27H,11-12,15H2,1H3,(H,28,29)/t22-/m0/s1
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n/an/an/an/a 12n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50236184
PNG
((R)-4'-(2-(2-hydroxy-2-phenylethylamino)ethyl)-3-(...)
Show SMILES CC(C)Sc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1 |r|
Show InChI InChI=1S/C26H29NO3S/c1-18(2)31-25-16-22(12-13-23(25)26(29)30)20-10-8-19(9-11-20)14-15-27-17-24(28)21-6-4-3-5-7-21/h3-13,16,18,24,27-28H,14-15,17H2,1-2H3,(H,29,30)/t24-/m0/s1
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n/an/an/an/a 0.560n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50236183
PNG
((R)-4'-(2-(2-(3-chlorophenyl)-2-hydroxyethylamino)...)
Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1 |r|
Show InChI InChI=1S/C26H28ClNO4/c1-17(2)32-25-15-20(10-11-23(25)26(30)31)19-8-6-18(7-9-19)12-13-28-16-24(29)21-4-3-5-22(27)14-21/h3-11,14-15,17,24,28-29H,12-13,16H2,1-2H3,(H,30,31)/t24-/m0/s1
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n/an/an/an/a 1.10n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50372684
PNG
(CHEMBL536330)
Show SMILES OC(CNCCc1ccc(Nc2ccc(OCC(O)=O)cc2)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C24H25ClN2O4/c25-19-3-1-2-18(14-19)23(28)15-26-13-12-17-4-6-20(7-5-17)27-21-8-10-22(11-9-21)31-16-24(29)30/h1-11,14,23,26-28H,12-13,15-16H2,(H,29,30)
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n/an/an/an/a 12n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50372690
PNG
(CHEMBL270460)
Show SMILES COc1cc(CCNC[C@H](O)c2cccc(Cl)c2)ccc1-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H24ClNO4/c1-30-23-13-16(5-10-21(23)17-6-8-18(9-7-17)24(28)29)11-12-26-15-22(27)19-3-2-4-20(25)14-19/h2-10,13-14,22,26-27H,11-12,15H2,1H3,(H,28,29)/t22-/m0/s1
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n/an/an/an/a 6.5n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50372693
PNG
(CHEMBL273028)
Show SMILES Cc1cc(ccc1-c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1)C(O)=O
Show InChI InChI=1S/C24H24ClNO3/c1-16-13-20(24(28)29)9-10-22(16)18-7-5-17(6-8-18)11-12-26-15-23(27)19-3-2-4-21(25)14-19/h2-10,13-14,23,26-27H,11-12,15H2,1H3,(H,28,29)/t23-/m0/s1
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n/an/an/an/a 63n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50372695
PNG
(CHEMBL271367)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(F)c1)c1cccc(Cl)c1
Show InChI InChI=1S/C23H21ClFNO3/c24-19-3-1-2-18(12-19)22(27)14-26-11-10-15-4-6-16(7-5-15)17-8-9-20(23(28)29)21(25)13-17/h1-9,12-13,22,26-27H,10-11,14H2,(H,28,29)/t22-/m0/s1
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n/an/an/an/a 380n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50372677
PNG
(CHEMBL273098)
Show SMILES O[C@@H](CNCCc1ccc(Nc2cccc(c2)C(O)=O)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C23H23ClN2O3/c24-19-5-1-3-17(13-19)22(27)15-25-12-11-16-7-9-20(10-8-16)26-21-6-2-4-18(14-21)23(28)29/h1-10,13-14,22,25-27H,11-12,15H2,(H,28,29)/t22-/m0/s1
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n/an/an/an/a 36n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
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: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50236185
PNG
((R)-4'-(2-(2-hydroxy-2-phenylethylamino)ethyl)-3-i...)
Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1 |r|
Show InChI InChI=1S/C26H29NO4/c1-18(2)31-25-16-22(12-13-23(25)26(29)30)20-10-8-19(9-11-20)14-15-27-17-24(28)21-6-4-3-5-7-21/h3-13,16,18,24,27-28H,14-15,17H2,1-2H3,(H,29,30)/t24-/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 beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by EIA

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
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 beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by EIA

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50372696
PNG
(CHEMBL271765)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(s1)C(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C21H20ClNO3S/c22-17-3-1-2-16(12-17)18(24)13-23-11-10-14-4-6-15(7-5-14)19-8-9-20(27-19)21(25)26/h1-9,12,18,23-24H,10-11,13H2,(H,25,26)/t18-/m0/s1
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n/an/an/an/a 7.5n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
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 beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by EIA

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50236164
PNG
((R)-4'-(2-(2-hydroxy-2-phenylethylamino)ethyl)-3-p...)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(Oc2ccccc2)c1)c1ccccc1 |r|
Show InChI InChI=1S/C29H27NO4/c31-27(23-7-3-1-4-8-23)20-30-18-17-21-11-13-22(14-12-21)24-15-16-26(29(32)33)28(19-24)34-25-9-5-2-6-10-25/h1-16,19,27,30-31H,17-18,20H2,(H,32,33)/t27-/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 beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by EIA

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
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+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 by EIA

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50236184
PNG
((R)-4'-(2-(2-hydroxy-2-phenylethylamino)ethyl)-3-(...)
Show SMILES CC(C)Sc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1 |r|
Show InChI InChI=1S/C26H29NO3S/c1-18(2)31-25-16-22(12-13-23(25)26(29)30)20-10-8-19(9-11-20)14-15-27-17-24(28)21-6-4-3-5-7-21/h3-13,16,18,24,27-28H,14-15,17H2,1-2H3,(H,29,30)/t24-/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 by EIA

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50372680
PNG
(CHEMBL270025)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(OCC(O)=O)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C24H24ClNO4/c25-21-3-1-2-20(14-21)23(27)15-26-13-12-17-4-6-18(7-5-17)19-8-10-22(11-9-19)30-16-24(28)29/h1-11,14,23,26-27H,12-13,15-16H2,(H,28,29)/t23-/m0/s1
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n/an/an/an/a 18n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50372691
PNG
(CHEMBL257106)
Show SMILES O[C@@H](CNCCc1ccc(c(Cl)c1)-c1ccc(cc1)C(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H21Cl2NO3/c24-19-3-1-2-18(13-19)22(27)14-26-11-10-15-4-9-20(21(25)12-15)16-5-7-17(8-6-16)23(28)29/h1-9,12-13,22,26-27H,10-11,14H2,(H,28,29)/t22-/m0/s1
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n/an/an/an/a 3.10n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50372684
PNG
(CHEMBL536330)
Show SMILES OC(CNCCc1ccc(Nc2ccc(OCC(O)=O)cc2)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C24H25ClN2O4/c25-19-3-1-2-18(14-19)23(28)15-26-13-12-17-4-6-20(7-5-17)27-21-8-10-22(11-9-21)31-16-24(29)30/h1-11,14,23,26-28H,12-13,15-16H2,(H,29,30)
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n/an/an/an/a 9.20n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50236165
PNG
((R)-3-(cyclohexyloxy)-4'-(2-(2-hydroxy-2-phenyleth...)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1)c1ccccc1 |r|
Show InChI InChI=1S/C29H33NO4/c31-27(23-7-3-1-4-8-23)20-30-18-17-21-11-13-22(14-12-21)24-15-16-26(29(32)33)28(19-24)34-25-9-5-2-6-10-25/h1,3-4,7-8,11-16,19,25,27,30-31H,2,5-6,9-10,17-18,20H2,(H,32,33)/t27-/m0/s1
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n/an/an/an/a 0.300n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50372693
PNG
(CHEMBL273028)
Show SMILES Cc1cc(ccc1-c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1)C(O)=O
Show InChI InChI=1S/C24H24ClNO3/c1-16-13-20(24(28)29)9-10-22(16)18-7-5-17(6-8-18)11-12-26-15-23(27)19-3-2-4-21(25)14-19/h2-10,13-14,23,26-27H,11-12,15H2,1H3,(H,28,29)/t23-/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 beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by EIA

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50372699
PNG
(CHEMBL537693)
Show SMILES OC(CNCCc1ccc(Oc2ccc(OCC(O)=O)cc2)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C24H24ClNO5/c25-19-3-1-2-18(14-19)23(27)15-26-13-12-17-4-6-21(7-5-17)31-22-10-8-20(9-11-22)30-16-24(28)29/h1-11,14,23,26-27H,12-13,15-16H2,(H,28,29)
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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 beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by EIA

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50372702
PNG
(CHEMBL269823)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(Cl)c1)c1cccc(Cl)c1
Show InChI InChI=1S/C23H21Cl2NO3/c24-19-3-1-2-18(12-19)22(27)14-26-11-10-15-4-6-16(7-5-15)17-8-9-20(23(28)29)21(25)13-17/h1-9,12-13,22,26-27H,10-11,14H2,(H,28,29)/t22-/m0/s1
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n/an/an/an/a 260n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50236182
PNG
((R)-4'-(2-(2-(3-chlorophenyl)-2-hydroxyethylamino)...)
Show SMILES COc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1 |r|
Show InChI InChI=1S/C24H24ClNO4/c1-30-23-14-18(9-10-21(23)24(28)29)17-7-5-16(6-8-17)11-12-26-15-22(27)19-3-2-4-20(25)13-19/h2-10,13-14,22,26-27H,11-12,15H2,1H3,(H,28,29)/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 by EIA

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
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 beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by EIA

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50372678
PNG
(CHEMBL409827)
Show SMILES O[C@@H](CNCCc1ccc(Nc2ccc(cc2)C(O)=O)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C23H23ClN2O3/c24-19-3-1-2-18(14-19)22(27)15-25-13-12-16-4-8-20(9-5-16)26-21-10-6-17(7-11-21)23(28)29/h1-11,14,22,25-27H,12-13,15H2,(H,28,29)/t22-/m0/s1
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n/an/an/an/a 4.60n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50372688
PNG
(CHEMBL409533)
Show SMILES CC(C)COc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C27H31NO4/c1-19(2)18-32-26-16-23(12-13-24(26)27(30)31)21-10-8-20(9-11-21)14-15-28-17-25(29)22-6-4-3-5-7-22/h3-13,16,19,25,28-29H,14-15,17-18H2,1-2H3,(H,30,31)/t25-/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 beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by EIA

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50372692
PNG
(CHEMBL270889)
Show SMILES COc1cc(ccc1-c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1)C(O)=O
Show InChI InChI=1S/C24H24ClNO4/c1-30-23-14-19(24(28)29)9-10-21(23)17-7-5-16(6-8-17)11-12-26-15-22(27)18-3-2-4-20(25)13-18/h2-10,13-14,22,26-27H,11-12,15H2,1H3,(H,28,29)/t22-/m0/s1
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n/an/an/an/a 18n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
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 beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by EIA

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50372681
PNG
(CHEMBL408958)
Show SMILES O[C@@H](CNCCc1ccc(cc1)C(=O)c1ccc(OCC(O)=O)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C25H24ClNO5/c26-21-3-1-2-20(14-21)23(28)15-27-13-12-17-4-6-18(7-5-17)25(31)19-8-10-22(11-9-19)32-16-24(29)30/h1-11,14,23,27-28H,12-13,15-16H2,(H,29,30)/t23-/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 beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by EIA

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50372689
PNG
(CHEMBL272583)
Show SMILES CC(C)COc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C27H30ClNO4/c1-18(2)17-33-26-15-21(10-11-24(26)27(31)32)20-8-6-19(7-9-20)12-13-29-16-25(30)22-4-3-5-23(28)14-22/h3-11,14-15,18,25,29-30H,12-13,16-17H2,1-2H3,(H,31,32)/t25-/m0/s1
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n/an/an/an/a 0.590n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50372695
PNG
(CHEMBL271367)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(F)c1)c1cccc(Cl)c1
Show InChI InChI=1S/C23H21ClFNO3/c24-19-3-1-2-18(12-19)22(27)14-26-11-10-15-4-6-16(7-5-15)17-8-9-20(23(28)29)21(25)13-17/h1-9,12-13,22,26-27H,10-11,14H2,(H,28,29)/t22-/m0/s1
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n/an/an/an/a 9.80n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50372692
PNG
(CHEMBL270889)
Show SMILES COc1cc(ccc1-c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1)C(O)=O
Show InChI InChI=1S/C24H24ClNO4/c1-30-23-14-19(24(28)29)9-10-21(23)17-7-5-16(6-8-17)11-12-26-15-22(27)18-3-2-4-20(25)13-18/h2-10,13-14,22,26-27H,11-12,15H2,1H3,(H,28,29)/t22-/m0/s1
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n/an/an/an/a 0.620n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50372697
PNG
(CHEMBL408694)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(CC(O)=O)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C24H24ClNO3/c25-22-3-1-2-21(15-22)23(27)16-26-13-12-17-4-8-19(9-5-17)20-10-6-18(7-11-20)14-24(28)29/h1-11,15,23,26-27H,12-14,16H2,(H,28,29)/t23-/m0/s1
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n/an/an/an/a 32n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50372676
PNG
(CHEMBL273097)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(cn1)C(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C22H21ClN2O3/c23-19-3-1-2-17(12-19)21(26)14-24-11-10-15-4-6-16(7-5-15)20-9-8-18(13-25-20)22(27)28/h1-9,12-13,21,24,26H,10-11,14H2,(H,27,28)/t21-/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 beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by EIA

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50372681
PNG
(CHEMBL408958)
Show SMILES O[C@@H](CNCCc1ccc(cc1)C(=O)c1ccc(OCC(O)=O)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C25H24ClNO5/c26-21-3-1-2-20(14-21)23(28)15-27-13-12-17-4-6-18(7-5-17)25(31)19-8-10-22(11-9-19)32-16-24(29)30/h1-11,14,23,27-28H,12-13,15-16H2,(H,29,30)/t23-/m0/s1
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n/an/an/an/a 61n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50372685
PNG
(CHEMBL408693)
Show SMILES CC(C)S(=O)(=O)c1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C26H29NO5S/c1-18(2)33(31,32)25-16-22(12-13-23(25)26(29)30)20-10-8-19(9-11-20)14-15-27-17-24(28)21-6-4-3-5-7-21/h3-13,16,18,24,27-28H,14-15,17H2,1-2H3,(H,29,30)/t24-/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 beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by EIA

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50372687
PNG
(CHEMBL269816)
Show SMILES CCOCCOc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C27H31NO5/c1-2-32-16-17-33-26-18-23(12-13-24(26)27(30)31)21-10-8-20(9-11-21)14-15-28-19-25(29)22-6-4-3-5-7-22/h3-13,18,25,28-29H,2,14-17,19H2,1H3,(H,30,31)/t25-/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 beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by EIA

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50236182
PNG
((R)-4'-(2-(2-(3-chlorophenyl)-2-hydroxyethylamino)...)
Show SMILES COc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1 |r|
Show InChI InChI=1S/C24H24ClNO4/c1-30-23-14-18(9-10-21(23)24(28)29)17-7-5-16(6-8-17)11-12-26-15-22(27)19-3-2-4-20(25)13-19/h2-10,13-14,22,26-27H,11-12,15H2,1H3,(H,28,29)/t22-/m0/s1
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n/an/an/an/a 251n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50372675
PNG
(CHEMBL272234)
Show SMILES O[C@@H](CNCCc1ccc(Oc2ccc(cn2)C(O)=O)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C22H21ClN2O4/c23-18-3-1-2-16(12-18)20(26)14-24-11-10-15-4-7-19(8-5-15)29-21-9-6-17(13-25-21)22(27)28/h1-9,12-13,20,24,26H,10-11,14H2,(H,27,28)/t20-/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 beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by EIA

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
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 beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by EIA

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50372685
PNG
(CHEMBL408693)
Show SMILES CC(C)S(=O)(=O)c1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C26H29NO5S/c1-18(2)33(31,32)25-16-22(12-13-23(25)26(29)30)20-10-8-19(9-11-20)14-15-27-17-24(28)21-6-4-3-5-7-21/h3-13,16,18,24,27-28H,14-15,17H2,1-2H3,(H,29,30)/t24-/m0/s1
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n/an/an/an/a 2.20n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50372687
PNG
(CHEMBL269816)
Show SMILES CCOCCOc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C27H31NO5/c1-2-32-16-17-33-26-18-23(12-13-24(26)27(30)31)21-10-8-20(9-11-21)14-15-28-19-25(29)22-6-4-3-5-7-22/h3-13,18,25,28-29H,2,14-17,19H2,1H3,(H,30,31)/t25-/m0/s1
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n/an/an/an/a 4.30n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50372688
PNG
(CHEMBL409533)
Show SMILES CC(C)COc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C27H31NO4/c1-19(2)18-32-26-16-23(12-13-24(26)27(30)31)21-10-8-20(9-11-21)14-15-28-17-25(29)22-6-4-3-5-7-22/h3-13,16,19,25,28-29H,14-15,17-18H2,1-2H3,(H,30,31)/t25-/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 beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by EIA

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50372700
PNG
(CHEMBL411028)
Show SMILES CC(C)Cc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C27H30ClNO3/c1-18(2)14-23-15-21(10-11-25(23)27(31)32)20-8-6-19(7-9-20)12-13-29-17-26(30)22-4-3-5-24(28)16-22/h3-11,15-16,18,26,29-30H,12-14,17H2,1-2H3,(H,31,32)/t26-/m0/s1
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n/an/an/an/a 0.540n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50372702
PNG
(CHEMBL269823)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(Cl)c1)c1cccc(Cl)c1
Show InChI InChI=1S/C23H21Cl2NO3/c24-19-3-1-2-18(12-19)22(27)14-26-11-10-15-4-6-16(7-5-15)17-8-9-20(23(28)29)21(25)13-17/h1-9,12-13,22,26-27H,10-11,14H2,(H,28,29)/t22-/m0/s1
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n/an/an/an/a 17n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50236183
PNG
((R)-4'-(2-(2-(3-chlorophenyl)-2-hydroxyethylamino)...)
Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1 |r|
Show InChI InChI=1S/C26H28ClNO4/c1-17(2)32-25-15-20(10-11-23(25)26(30)31)19-8-6-18(7-9-19)12-13-28-16-24(29)21-4-3-5-22(27)14-21/h3-11,14-15,17,24,28-29H,12-13,16H2,1-2H3,(H,30,31)/t24-/m0/s1
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n/an/an/an/a 720n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%