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Compile Data Set for Download or QSAR

Found 119 hits of ec50 for UniProtKB: Q8K4Z4   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50337291
PNG
(1-(3-(2-(2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroq...)
Show SMILES OC(CNCCc1cccc(NC(=O)NCCCc2ccccc2)c1)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C29H32N4O4/c34-25-13-11-23(24-12-14-27(36)33-28(24)25)26(35)19-30-17-15-21-8-4-10-22(18-21)32-29(37)31-16-5-9-20-6-2-1-3-7-20/h1-4,6-8,10-14,18,26,30,34-35H,5,9,15-17,19H2,(H,33,36)(H2,31,32,37)
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n/an/an/an/a 0.0500n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at beta2 adrenoreceptor in guinea pig tracheal rings assessed as vasorelaxation

Bioorg Med Chem Lett 21: 1545-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.096
BindingDB Entry DOI: 10.7270/Q2W09668
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50419652
PNG
(MILVETEROL)
Show SMILES O[C@@H](CNCCc1ccc(NC[C@H](O)c2ccccc2)cc1)c1ccc(O)c(NC=O)c1 |r|
Show InChI InChI=1S/C25H29N3O4/c29-17-28-22-14-20(8-11-23(22)30)24(31)15-26-13-12-18-6-9-21(10-7-18)27-16-25(32)19-4-2-1-3-5-19/h1-11,14,17,24-27,30-32H,12-13,15-16H2,(H,28,29)/t24-,25-/m0/s1
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n/an/an/an/a 0.0501n/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at beta2 receptor in guinea pig trachea assessed as fast onset of inhibition of electrically stimulated contraction

Bioorg Med Chem Lett 24: 2625-30 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.069
BindingDB Entry DOI: 10.7270/Q2M32X96
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50337299
PNG
(1-(3-(2-(2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroq...)
Show SMILES OC(CNCCc1cccc(NC(=O)Nc2ccccc2)c1)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C26H26N4O4/c31-22-11-9-20(21-10-12-24(33)30-25(21)22)23(32)16-27-14-13-17-5-4-8-19(15-17)29-26(34)28-18-6-2-1-3-7-18/h1-12,15,23,27,31-32H,13-14,16H2,(H,30,33)(H2,28,29,34)
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n/an/an/an/a 0.0700n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at beta2 adrenoreceptor in guinea pig tracheal rings assessed as vasorelaxation

Bioorg Med Chem Lett 21: 1545-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.096
BindingDB Entry DOI: 10.7270/Q2W09668
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50295573
PNG
(BR-AEA | CHEMBL552398)
Show SMILES CC(C)(C)NC[C@@H](O)c1ccc(OB(O)O)c(CO)c1 |r|
Show InChI InChI=1S/C13H22BNO5/c1-13(2,3)15-7-11(17)9-4-5-12(20-14(18)19)10(6-9)8-16/h4-6,11,15-19H,7-8H2,1-3H3/t11-/m1/s1
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n/an/an/an/a 0.0720n/an/an/an/a



Instituto Polit£cnico Nacional

Curated by ChEMBL


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

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


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


(GUINEA PIG)		BDBM50337301
PNG
(1-(3-(2-(2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroq...)
Show SMILES OC(CNCCc1cccc(NC(=O)NCCc2ccccc2)c1)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C28H30N4O4/c33-24-11-9-22(23-10-12-26(35)32-27(23)24)25(34)18-29-15-13-20-7-4-8-21(17-20)31-28(36)30-16-14-19-5-2-1-3-6-19/h1-12,17,25,29,33-34H,13-16,18H2,(H,32,35)(H2,30,31,36)
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n/an/an/an/a 0.0900n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at beta2 adrenoreceptor in guinea pig tracheal rings assessed as vasorelaxation

Bioorg Med Chem Lett 21: 1545-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.096
BindingDB Entry DOI: 10.7270/Q2W09668
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50365058
PNG
(CHEMBL1951067)
Show SMILES COc1ccc(cc1OC)C1=NN(CCCCNC[C@H](O)c2ccc(O)c(NC=O)c2)C(=O)C2CCCCC12 |r,t:11|
Show InChI InChI=1S/C29H38N4O6/c1-38-26-12-10-20(16-27(26)39-2)28-21-7-3-4-8-22(21)29(37)33(32-28)14-6-5-13-30-17-25(36)19-9-11-24(35)23(15-19)31-18-34/h9-12,15-16,18,21-22,25,30,35-36H,3-8,13-14,17H2,1-2H3,(H,31,34)/t21?,22?,25-/m0/s1
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n/an/an/an/a 0.100n/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Agonist activity at beta2 adrenoceptor in guinea pig assessed as relaxation of histamine-induced tracheal ring contraction

Bioorg Med Chem Lett 22: 1523-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.013
BindingDB Entry DOI: 10.7270/Q2794548
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50151720
PNG
(ARFORMOTEROL TARTRATE | CHEMBL1363 | CHEMBL605993 ...)
Show SMILES COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 |r|
Show InChI InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/t13-,19+/m1/s1
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n/an/an/an/a 0.126n/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Agonist activity at beta2 adrenoceptor in guinea pig assessed as relaxation of histamine-induced tracheal ring contraction

Bioorg Med Chem Lett 22: 1523-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.013
BindingDB Entry DOI: 10.7270/Q2794548
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50151720
PNG
(ARFORMOTEROL TARTRATE | CHEMBL1363 | CHEMBL605993 ...)
Show SMILES COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 |r|
Show InChI InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/t13-,19+/m1/s1
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n/an/an/an/a 0.126n/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Agonist activity at guinea pig trachea beta2-adrenergic receptor assessed as relaxation of histamine-induced tracheal ring contraction

Bioorg Med Chem Lett 24: 249-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.028
BindingDB Entry DOI: 10.7270/Q2319XBZ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50337302
PNG
(3-((3-(3-(2-(2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihy...)
Show SMILES NC(=O)c1cccc(CNC(=O)Nc2cccc(CCNCC(O)c3ccc(O)c4[nH]c(=O)ccc34)c2)c1
Show InChI InChI=1S/C28H29N5O5/c29-27(37)19-5-1-4-18(13-19)15-31-28(38)32-20-6-2-3-17(14-20)11-12-30-16-24(35)21-7-9-23(34)26-22(21)8-10-25(36)33-26/h1-10,13-14,24,30,34-35H,11-12,15-16H2,(H2,29,37)(H,33,36)(H2,31,32,38)
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n/an/an/an/a 0.130n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at beta2 adrenoreceptor in guinea pig tracheal rings assessed as vasorelaxation

Bioorg Med Chem Lett 21: 1545-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.096
BindingDB Entry DOI: 10.7270/Q2W09668
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50151720
PNG
(ARFORMOTEROL TARTRATE | CHEMBL1363 | CHEMBL605993 ...)
Show SMILES COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 |r|
Show InChI InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/t13-,19+/m1/s1
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n/an/an/an/a 0.130n/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Agonist activity at guinea pig trachea beta2-adrenergic receptor assessed as relaxation of histamine-induced tracheal ring contraction

Bioorg Med Chem Lett 24: 249-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.028
BindingDB Entry DOI: 10.7270/Q2319XBZ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50419675
PNG
(CHEMBL1945032)
Show SMILES Cc1cccc2c(CCNCc3ccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)sc45)cc3)c[nH]c12 |r|
Show InChI InChI=1S/C29H32N4O3S/c1-18-3-2-4-22-21(16-32-26(18)22)12-14-30-15-20-7-5-19(6-8-20)11-13-31-17-25(35)23-9-10-24(34)27-28(23)37-29(36)33-27/h2-10,16,25,30-32,34-35H,11-15,17H2,1H3,(H,33,36)/t25-/m0/s1
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n/an/an/an/a 0.200n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at beta2 adrenoceptor in guinea pig trachea assessed as reduction in methacholine-induced contraction

Bioorg Med Chem Lett 22: 689-95 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.049
BindingDB Entry DOI: 10.7270/Q2KW5H90
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50419008
PNG
(CHEMBL1814277 | CHEMBL1814278)
Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(c1)-n1c(=O)cc[nH]c1=O |r|
Show InChI InChI=1S/C29H39N3O6/c33-21-24-19-23(11-12-26(24)34)27(35)20-30-14-4-1-2-5-16-38-17-6-3-8-22-9-7-10-25(18-22)32-28(36)13-15-31-29(32)37/h7,9-13,15,18-19,27,30,33-35H,1-6,8,14,16-17,20-21H2,(H,31,37)/t27-/m0/s1
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n/an/an/an/a 0.200n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at adrenergic beta2 receptor in guinea pig trachea assessed as inhibition of electrically-stimulated contraction

Bioorg Med Chem 19: 4192-201 (2011)


Article DOI: 10.1016/j.bmc.2011.05.064
BindingDB Entry DOI: 10.7270/Q2BK1DM0
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50337300
PNG
(1-benzyl-3-(3-(2-(2-hydroxy-2-(8-hydroxy-2-oxo-1,2...)
Show SMILES OC(CNCCc1cccc(NC(=O)NCc2ccccc2)c1)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C27H28N4O4/c32-23-11-9-21(22-10-12-25(34)31-26(22)23)24(33)17-28-14-13-18-7-4-8-20(15-18)30-27(35)29-16-19-5-2-1-3-6-19/h1-12,15,24,28,32-33H,13-14,16-17H2,(H,31,34)(H2,29,30,35)
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Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at beta2 adrenoreceptor in guinea pig tracheal rings assessed as vasorelaxation

Bioorg Med Chem Lett 21: 1545-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.096
BindingDB Entry DOI: 10.7270/Q2W09668
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50337294
PNG
(1-(2,6-dichlorobenzyl)-3-(3-(2-(2-hydroxy-2-(8-hyd...)
Show SMILES OC(CNCCc1cccc(NC(=O)NCc2c(Cl)cccc2Cl)c1)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C27H26Cl2N4O4/c28-21-5-2-6-22(29)20(21)14-31-27(37)32-17-4-1-3-16(13-17)11-12-30-15-24(35)18-7-9-23(34)26-19(18)8-10-25(36)33-26/h1-10,13,24,30,34-35H,11-12,14-15H2,(H,33,36)(H2,31,32,37)
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Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at beta2 adrenoreceptor in guinea pig tracheal rings assessed as vasorelaxation

Bioorg Med Chem Lett 21: 1545-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.096
BindingDB Entry DOI: 10.7270/Q2W09668
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50337293
PNG
(1-(4-fluorobenzyl)-3-(3-(2-(2-hydroxy-2-(8-hydroxy...)
Show SMILES OC(CNCCc1cccc(NC(=O)NCc2ccc(F)cc2)c1)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C27H27FN4O4/c28-19-6-4-18(5-7-19)15-30-27(36)31-20-3-1-2-17(14-20)12-13-29-16-24(34)21-8-10-23(33)26-22(21)9-11-25(35)32-26/h1-11,14,24,29,33-34H,12-13,15-16H2,(H,32,35)(H2,30,31,36)
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Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at beta2 adrenoreceptor in guinea pig tracheal rings assessed as vasorelaxation

Bioorg Med Chem Lett 21: 1545-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.096
BindingDB Entry DOI: 10.7270/Q2W09668
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50337292
PNG
(1-(3-(2-(2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroq...)
Show SMILES COc1ccccc1CNC(=O)Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1
Show InChI InChI=1S/C28H30N4O5/c1-37-25-8-3-2-6-19(25)16-30-28(36)31-20-7-4-5-18(15-20)13-14-29-17-24(34)21-9-11-23(33)27-22(21)10-12-26(35)32-27/h2-12,15,24,29,33-34H,13-14,16-17H2,1H3,(H,32,35)(H2,30,31,36)
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Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at beta2 adrenoreceptor in guinea pig tracheal rings assessed as vasorelaxation

Bioorg Med Chem Lett 21: 1545-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.096
BindingDB Entry DOI: 10.7270/Q2W09668
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50337295
PNG
(1-benzhydryl-3-(3-(2-(2-hydroxy-2-(8-hydroxy-2-oxo...)
Show SMILES OC(CNCCc1cccc(NC(=O)NC(c2ccccc2)c2ccccc2)c1)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C33H32N4O4/c38-28-16-14-26(27-15-17-30(40)36-32(27)28)29(39)21-34-19-18-22-8-7-13-25(20-22)35-33(41)37-31(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-17,20,29,31,34,38-39H,18-19,21H2,(H,36,40)(H2,35,37,41)
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n/an/an/an/a 0.200n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at beta2 adrenoreceptor in guinea pig tracheal rings assessed as vasorelaxation

Bioorg Med Chem Lett 21: 1545-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.096
BindingDB Entry DOI: 10.7270/Q2W09668
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50419687
PNG
(CHEMBL1947151)
Show SMILES C[C@@H](NCc1ccccc1-c1ccc(CCNCCc2ccc(O)c3[nH]c(=O)sc23)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C32H33N3O2S/c1-22(24-7-3-2-4-8-24)34-21-27-9-5-6-10-28(27)25-13-11-23(12-14-25)17-19-33-20-18-26-15-16-29(36)30-31(26)38-32(37)35-30/h2-16,22,33-34,36H,17-21H2,1H3,(H,35,37)/t22-/m1/s1
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n/an/an/an/a 0.251n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at beta2 adrenoceptor in guinea pig trachea assessed as reduction in methacholine-induced contraction

Bioorg Med Chem Lett 22: 689-95 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.049
BindingDB Entry DOI: 10.7270/Q2KW5H90
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50419670
PNG
(CHEMBL1944691)
Show SMILES O[C@@H](CNCCc1cccc(CNCCc2ccccc2F)c1)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1S/C26H28FN3O3S/c27-21-7-2-1-6-19(21)11-13-28-15-18-5-3-4-17(14-18)10-12-29-16-23(32)20-8-9-22(31)24-25(20)34-26(33)30-24/h1-9,14,23,28-29,31-32H,10-13,15-16H2,(H,30,33)/t23-/m0/s1
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n/an/an/an/a 0.251n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at beta2 adrenoceptor in guinea pig trachea assessed as reduction in methacholine-induced contraction

Bioorg Med Chem Lett 22: 689-95 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.049
BindingDB Entry DOI: 10.7270/Q2KW5H90
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50419310
PNG
(CHEMBL1835859)
Show SMILES NC(=O)CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r|
Show InChI InChI=1S/C28H42N4O6/c29-27(36)19-31-28(37)32-24-10-7-9-21(16-24)8-3-6-15-38-14-5-2-1-4-13-30-18-26(35)22-11-12-25(34)23(17-22)20-33/h7,9-12,16-17,26,30,33-35H,1-6,8,13-15,18-20H2,(H2,29,36)(H2,31,32,37)/t26-/m0/s1
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n/an/an/an/a 0.251n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at beta2 adrenergic receptor in guinea pig tracheal strip assessed as inhibition of electrically-induced bronchocontractile response

Bioorg Med Chem 19: 6026-32 (2011)


Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50419689
PNG
(CHEMBL1945033)
Show SMILES O[C@@H](CNCCc1cccc(CNCCc2ccccn2)c1)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1S/C25H28N4O3S/c30-21-8-7-20(24-23(21)29-25(32)33-24)22(31)16-27-12-9-17-4-3-5-18(14-17)15-26-13-10-19-6-1-2-11-28-19/h1-8,11,14,22,26-27,30-31H,9-10,12-13,15-16H2,(H,29,32)/t22-/m0/s1
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n/an/an/an/a 0.316n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at beta2 adrenoceptor in guinea pig trachea assessed as reduction in methacholine-induced contraction

Bioorg Med Chem Lett 22: 689-95 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.049
BindingDB Entry DOI: 10.7270/Q2KW5H90
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50151720
PNG
(ARFORMOTEROL TARTRATE | CHEMBL1363 | CHEMBL605993 ...)
Show SMILES COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 |r|
Show InChI InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/t13-,19+/m1/s1
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n/an/an/an/a 0.316n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at beta2 adrenergic receptor in guinea pig tracheal strip assessed as inhibition of electrically-induced bronchocontractile response

Bioorg Med Chem 19: 6026-32 (2011)


Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50151720
PNG
(ARFORMOTEROL TARTRATE | CHEMBL1363 | CHEMBL605993 ...)
Show SMILES COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 |r|
Show InChI InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/t13-,19+/m1/s1
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n/an/an/an/a 0.316n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at adrenergic beta2 receptor in guinea pig trachea assessed as inhibition of electrically-stimulated contraction

Bioorg Med Chem 19: 4192-201 (2011)


Article DOI: 10.1016/j.bmc.2011.05.064
BindingDB Entry DOI: 10.7270/Q2BK1DM0
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM25769
PNG
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
Show SMILES CC(C)(C)NCC(O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3
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n/an/an/an/a 0.454n/an/an/an/a



Instituto Polit£cnico Nacional

Curated by ChEMBL


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

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


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


(GUINEA PIG)		BDBM50365057
PNG
(CHEMBL1951066)
Show SMILES COc1ccc(cc1OC)C1=NN(CCCCNCC(O)c2ccc(O)c(NC=O)c2)C(=O)C2CCCCC12 |t:11|
Show InChI InChI=1S/C29H38N4O6/c1-38-26-12-10-20(16-27(26)39-2)28-21-7-3-4-8-22(21)29(37)33(32-28)14-6-5-13-30-17-25(36)19-9-11-24(35)23(15-19)31-18-34/h9-12,15-16,18,21-22,25,30,35-36H,3-8,13-14,17H2,1-2H3,(H,31,34)
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n/an/an/an/a 0.501n/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Agonist activity at beta2 adrenoceptor in guinea pig assessed as relaxation of histamine-induced tracheal ring contraction

Bioorg Med Chem Lett 22: 1523-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.013
BindingDB Entry DOI: 10.7270/Q2794548
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50419688
PNG
(CHEMBL1947152)
Show SMILES Oc1ccc(CCNCCc2cccc(c2)-c2cccc(CNCc3ccccc3)c2)c2sc(=O)[nH]c12
Show InChI InChI=1S/C31H31N3O2S/c35-28-13-12-25(30-29(28)34-31(36)37-30)15-17-32-16-14-22-8-4-10-26(18-22)27-11-5-9-24(19-27)21-33-20-23-6-2-1-3-7-23/h1-13,18-19,32-33,35H,14-17,20-21H2,(H,34,36)
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n/an/an/an/a 0.501n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at beta2 adrenoceptor in guinea pig trachea assessed as reduction in methacholine-induced contraction

Bioorg Med Chem Lett 22: 689-95 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.049
BindingDB Entry DOI: 10.7270/Q2KW5H90
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50419680
PNG
(CHEMBL1945039)
Show SMILES COc1ccccc1CNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 |r|
Show InChI InChI=1S/C26H29N3O4S/c1-33-23-8-3-2-7-19(23)15-28-14-18-6-4-5-17(13-18)11-12-27-16-22(31)20-9-10-21(30)24-25(20)34-26(32)29-24/h2-10,13,22,27-28,30-31H,11-12,14-16H2,1H3,(H,29,32)/t22-/m0/s1
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n/an/an/an/a 0.501n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at beta2 adrenoceptor in guinea pig trachea assessed as reduction in methacholine-induced contraction

Bioorg Med Chem Lett 22: 689-95 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.049
BindingDB Entry DOI: 10.7270/Q2KW5H90
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50337296
PNG
(1-(biphenyl-2-yl)-3-(3-(2-(2-hydroxy-2-(8-hydroxy-...)
Show SMILES OC(CNCCc1cccc(NC(=O)Nc2ccccc2-c2ccccc2)c1)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C32H30N4O4/c37-28-15-13-25(26-14-16-30(39)36-31(26)28)29(38)20-33-18-17-21-7-6-10-23(19-21)34-32(40)35-27-12-5-4-11-24(27)22-8-2-1-3-9-22/h1-16,19,29,33,37-38H,17-18,20H2,(H,36,39)(H2,34,35,40)
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n/an/an/an/a 0.700n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at beta2 adrenoreceptor in guinea pig tracheal rings assessed as vasorelaxation

Bioorg Med Chem Lett 21: 1545-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.096
BindingDB Entry DOI: 10.7270/Q2W09668
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50419011
PNG
(CHEMBL1814268)
Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(c1)-n1c(O)c[nH]c1=O |r|
Show InChI InChI=1S/C28H39N3O6/c32-20-23-17-22(11-12-25(23)33)26(34)18-29-13-4-1-2-5-14-37-15-6-3-8-21-9-7-10-24(16-21)31-27(35)19-30-28(31)36/h7,9-12,16-17,19,26,29,32-35H,1-6,8,13-15,18,20H2,(H,30,36)/t26-/m0/s1
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n/an/an/an/a 0.794n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at adrenergic beta2 receptor in guinea pig trachea assessed as inhibition of electrically-stimulated contraction

Bioorg Med Chem 19: 4192-201 (2011)


Article DOI: 10.1016/j.bmc.2011.05.064
BindingDB Entry DOI: 10.7270/Q2BK1DM0
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50337303
PNG
(1-(4-tert-butylbenzyl)-3-(3-(2-(2-hydroxy-2-(8-hyd...)
Show SMILES CC(C)(C)c1ccc(CNC(=O)Nc2cccc(CCNCC(O)c3ccc(O)c4[nH]c(=O)ccc34)c2)cc1
Show InChI InChI=1S/C31H36N4O4/c1-31(2,3)22-9-7-21(8-10-22)18-33-30(39)34-23-6-4-5-20(17-23)15-16-32-19-27(37)24-11-13-26(36)29-25(24)12-14-28(38)35-29/h4-14,17,27,32,36-37H,15-16,18-19H2,1-3H3,(H,35,38)(H2,33,34,39)
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n/an/an/an/a 0.900n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at beta2 adrenoreceptor in guinea pig tracheal rings assessed as vasorelaxation

Bioorg Med Chem Lett 21: 1545-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.096
BindingDB Entry DOI: 10.7270/Q2W09668
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50419010
PNG
(CHEMBL1814279 | CHEMBL1814280)
Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(NC(=O)NCC(O)=O)c1 |r|
Show InChI InChI=1S/C28H41N3O7/c32-20-23-17-22(11-12-25(23)33)26(34)18-29-13-4-1-2-5-14-38-15-6-3-8-21-9-7-10-24(16-21)31-28(37)30-19-27(35)36/h7,9-12,16-17,26,29,32-34H,1-6,8,13-15,18-20H2,(H,35,36)(H2,30,31,37)/t26-/m0/s1
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n/an/an/an/a 1n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at adrenergic beta2 receptor in guinea pig trachea assessed as inhibition of electrically-stimulated contraction

Bioorg Med Chem 19: 4192-201 (2011)


Article DOI: 10.1016/j.bmc.2011.05.064
BindingDB Entry DOI: 10.7270/Q2BK1DM0
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50444835
PNG
(CHEMBL3099249)
Show SMILES COc1ccc(cc1OC)C1=NN(CCCCCCOc2ccc(C[C@@H](C)NC[C@H](O)c3ccc(O)c(NC=O)c3)cc2)C(=O)C2CCCCC12 |r,t:11|
Show InChI InChI=1S/C40H52N4O7/c1-27(41-25-36(47)29-14-18-35(46)34(23-29)42-26-45)22-28-12-16-31(17-13-28)51-21-9-5-4-8-20-44-40(48)33-11-7-6-10-32(33)39(43-44)30-15-19-37(49-2)38(24-30)50-3/h12-19,23-24,26-27,32-33,36,41,46-47H,4-11,20-22,25H2,1-3H3,(H,42,45)/t27-,32?,33?,36+/m1/s1
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Sun Yat-sen University

Curated by ChEMBL


Assay Description
Agonist activity at guinea pig trachea beta2-adrenergic receptor assessed as relaxation of histamine-induced tracheal ring contraction

Bioorg Med Chem Lett 24: 249-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.028
BindingDB Entry DOI: 10.7270/Q2319XBZ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50318159
PNG
(8-Hydroxy-5-[(R)-1-hydroxy-2-(5,6-diethylindan-2-y...)
Show SMILES CCc1cc2CC(Cc2cc1CC)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
Show InChI InChI=1S/C24H28N2O3/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29)/t22-/m0/s1
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Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at beta2 adrenoreceptor in guinea pig tracheal rings assessed as vasorelaxation

Bioorg Med Chem Lett 21: 1545-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.096
BindingDB Entry DOI: 10.7270/Q2W09668
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50337298
PNG
(1-(3-(2-(2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroq...)
Show SMILES OC(CNCCc1cccc(NC(=O)Nc2cccc(Oc3ccccc3)c2)c1)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C32H30N4O5/c37-28-14-12-26(27-13-15-30(39)36-31(27)28)29(38)20-33-17-16-21-6-4-7-22(18-21)34-32(40)35-23-8-5-11-25(19-23)41-24-9-2-1-3-10-24/h1-15,18-19,29,33,37-38H,16-17,20H2,(H,36,39)(H2,34,35,40)
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n/an/an/an/a 1n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at beta2 adrenoreceptor in guinea pig tracheal rings assessed as vasorelaxation

Bioorg Med Chem Lett 21: 1545-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.096
BindingDB Entry DOI: 10.7270/Q2W09668
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50444835
PNG
(CHEMBL3099249)
Show SMILES COc1ccc(cc1OC)C1=NN(CCCCCCOc2ccc(C[C@@H](C)NC[C@H](O)c3ccc(O)c(NC=O)c3)cc2)C(=O)C2CCCCC12 |r,t:11|
Show InChI InChI=1S/C40H52N4O7/c1-27(41-25-36(47)29-14-18-35(46)34(23-29)42-26-45)22-28-12-16-31(17-13-28)51-21-9-5-4-8-20-44-40(48)33-11-7-6-10-32(33)39(43-44)30-15-19-37(49-2)38(24-30)50-3/h12-19,23-24,26-27,32-33,36,41,46-47H,4-11,20-22,25H2,1-3H3,(H,42,45)/t27-,32?,33?,36+/m1/s1
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n/an/an/an/a 1.10n/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Agonist activity at guinea pig trachea beta2-adrenergic receptor assessed as relaxation of histamine-induced tracheal ring contraction

Bioorg Med Chem Lett 24: 249-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.028
BindingDB Entry DOI: 10.7270/Q2319XBZ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50419317
PNG
(CHEMBL1835854)
Show SMILES CCNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r|
Show InChI InChI=1S/C28H43N3O5/c1-2-30-28(35)31-25-12-9-11-22(18-25)10-5-8-17-36-16-7-4-3-6-15-29-20-27(34)23-13-14-26(33)24(19-23)21-32/h9,11-14,18-19,27,29,32-34H,2-8,10,15-17,20-21H2,1H3,(H2,30,31,35)/t27-/m0/s1
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n/an/an/an/a 1.30n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at beta2 adrenergic receptor in guinea pig tracheal strip assessed as inhibition of electrically-induced bronchocontractile response

Bioorg Med Chem 19: 6026-32 (2011)


Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM86453
PNG
(CAS_73573-87-2 | Formoterol | NSC_3083544)
Show SMILES COc1ccc(CC(C)NCC(O)c2ccc(O)c(NC=O)c2)cc1
Show InChI InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)
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n/an/an/an/a 1.60n/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at beta2 receptor in guinea pig trachea assessed as fast onset of inhibition of electrically stimulated contraction

Bioorg Med Chem Lett 24: 2625-30 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.069
BindingDB Entry DOI: 10.7270/Q2M32X96
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50419312
PNG
(CHEMBL1835862)
Show SMILES Cc1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc(NC(N)=O)c1 |r|
Show InChI InChI=1S/C27H41N3O5/c1-20-14-21(16-24(15-20)30-27(28)34)8-4-7-13-35-12-6-3-2-5-11-29-18-26(33)22-9-10-25(32)23(17-22)19-31/h9-10,14-17,26,29,31-33H,2-8,11-13,18-19H2,1H3,(H3,28,30,34)/t26-/m0/s1
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n/an/an/an/a 1.60n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at beta2 adrenergic receptor in guinea pig tracheal strip assessed as inhibition of electrically-induced bronchocontractile response

Bioorg Med Chem 19: 6026-32 (2011)


Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50018589
PNG
(CHEMBL3290999)
Show SMILES COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1 |r|
Show InChI InChI=1S/C32H31N3O4/c1-39-30-15-11-24(19-27(30)22-5-3-2-4-6-22)34-23-9-7-21(8-10-23)17-18-33-20-29(37)25-12-14-28(36)32-26(25)13-16-31(38)35-32/h2-16,19,29,33-34,36-37H,17-18,20H2,1H3,(H,35,38)/t29-/m0/s1
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n/an/an/an/a 2n/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at beta2 receptor in guinea pig trachea assessed as slow onset of inhibition of electrically stimulated contraction

Bioorg Med Chem Lett 24: 2625-30 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.069
BindingDB Entry DOI: 10.7270/Q2M32X96
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50018587
PNG
(CHEMBL3290997)
Show SMILES COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c(CO)c3)cc2)cc1-c1ccccc1 |r|
Show InChI InChI=1S/C30H32N2O4/c1-36-30-14-12-26(18-27(30)22-5-3-2-4-6-22)32-25-10-7-21(8-11-25)15-16-31-19-29(35)23-9-13-28(34)24(17-23)20-33/h2-14,17-18,29,31-35H,15-16,19-20H2,1H3/t29-/m0/s1
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n/an/an/an/a 2n/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at beta2 receptor in guinea pig trachea assessed as slow onset of inhibition of electrically stimulated contraction

Bioorg Med Chem Lett 24: 2625-30 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.069
BindingDB Entry DOI: 10.7270/Q2M32X96
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50343153
PNG
(CHEMBL1773197 | N-(3-(3-((R)-3-(diisopropylamino)-...)
Show SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCNC(=O)Cc2cccc(CC(C)(C)NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)c2)ccc1O)C(C)C |r|
Show InChI InChI=1S/C45H62N4O6S/c1-31(2)49(32(3)4)24-22-38(36-16-9-8-10-17-36)39-26-33(18-20-41(39)50)15-12-23-46-44(53)27-34-13-11-14-35(25-34)29-45(5,6)47-30-43(52)37-19-21-42(51)40(28-37)48-56(7,54)55/h8-11,13-14,16-21,25-26,28,31-32,38,43,47-48,50-52H,12,15,22-24,27,29-30H2,1-7H3,(H,46,53)/t38-,43+/m1/s1
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n/an/an/an/a 2.10n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at adrenergic beta2 receptor in guinea pig trachea assessed as bronchorelaxation activity against histamine-induced contraction

Bioorg Med Chem Lett 21: 2759-63 (2011)


Article DOI: 10.1016/j.bmcl.2010.10.132
BindingDB Entry DOI: 10.7270/Q2G73F1B
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50295573
PNG
(BR-AEA | CHEMBL552398)
Show SMILES CC(C)(C)NC[C@@H](O)c1ccc(OB(O)O)c(CO)c1 |r|
Show InChI InChI=1S/C13H22BNO5/c1-13(2,3)15-7-11(17)9-4-5-12(20-14(18)19)10(6-9)8-16/h4-6,11,15-19H,7-8H2,1-3H3/t11-/m1/s1
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n/an/an/an/a 2.10n/an/an/an/a



Instituto Polit£cnico Nacional

Curated by ChEMBL


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

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


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


(GUINEA PIG)		BDBM50419309
PNG
(CHEMBL1835853)
Show SMILES NC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r|
Show InChI InChI=1S/C26H39N3O5/c27-26(33)29-23-10-7-9-20(16-23)8-3-6-15-34-14-5-2-1-4-13-28-18-25(32)21-11-12-24(31)22(17-21)19-30/h7,9-12,16-17,25,28,30-32H,1-6,8,13-15,18-19H2,(H3,27,29,33)/t25-/m0/s1
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n/an/an/an/a 2.5n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at beta2 adrenergic receptor in guinea pig tracheal strip assessed as inhibition of electrically-induced bronchocontractile response

Bioorg Med Chem 19: 6026-32 (2011)


Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50419015
PNG
(CHEMBL1814272)
Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(c1)-n1cc(O)[nH]c1=O |r|
Show InChI InChI=1S/C28H39N3O6/c32-20-23-17-22(11-12-25(23)33)26(34)18-29-13-4-1-2-5-14-37-15-6-3-8-21-9-7-10-24(16-21)31-19-27(35)30-28(31)36/h7,9-12,16-17,19,26,29,32-35H,1-6,8,13-15,18,20H2,(H,30,36)/t26-/m0/s1
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n/an/an/an/a 2.5n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at adrenergic beta2 receptor in guinea pig trachea assessed as inhibition of electrically-stimulated contraction

Bioorg Med Chem 19: 4192-201 (2011)


Article DOI: 10.1016/j.bmc.2011.05.064
BindingDB Entry DOI: 10.7270/Q2BK1DM0
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM25771
PNG
(1-hydroxy-2-naphthoic acid;4-[1-hydroxy-2-[6-(4-ph...)
Show SMILES OCc1cc(ccc1O)C(O)CNCCCCCCOCCCCc1ccccc1
Show InChI InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2
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n/an/an/an/a 2.70n/an/an/an/a



Pfizer

Curated by ChEMBL


Assay Description
Agonist activity at beta2 adrenoceptor in guinea pig trachea assessed as inhibition of histamine-induced contraction

Bioorg Med Chem Lett 25: 5121-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.008
BindingDB Entry DOI: 10.7270/Q2JQ12V7
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50407517
PNG
((-)ISOPROTERENOL | CHEMBL1160723 | US9492405, 27)
Show SMILES CC(C)NC[C@H](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/t11-/m0/s1
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n/an/an/an/a 3n/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Activity for Beta-2 adrenergic receptor was assessed from effect on relaxation of guinea pig trachea.

J Med Chem 38: 3681-716 (1995)


BindingDB Entry DOI: 10.7270/Q2SB46C4
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50419660
PNG
(CHEMBL1945292)
Show SMILES COCCNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 |r|
Show InChI InChI=1S/C21H27N3O4S/c1-28-10-9-23-12-15-4-2-3-14(11-15)7-8-22-13-18(26)16-5-6-17(25)19-20(16)29-21(27)24-19/h2-6,11,18,22-23,25-26H,7-10,12-13H2,1H3,(H,24,27)/t18-/m0/s1
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n/an/an/an/a 3.20n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at beta2 adrenoceptor in guinea pig trachea assessed as reduction in methacholine-induced contraction

Bioorg Med Chem Lett 22: 689-95 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.049
BindingDB Entry DOI: 10.7270/Q2KW5H90
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50337297
PNG
(1-Adamantan-1-ylmethyl-3-(3-{2-[2-hydroxy-2-(8-hyd...)
Show SMILES OC(CNCCc1cccc(NC(=O)NCC23CC4CC(CC(C4)C2)C3)c1)c1ccc(O)c2[nH]c(=O)ccc12 |TLB:19:20:17.18.23:24,THB:19:18:24:25.20.21,21:20:17:23.22.24,21:22:17:25.19.20|
Show InChI InChI=1S/C31H38N4O4/c36-26-6-4-24(25-5-7-28(38)35-29(25)26)27(37)17-32-9-8-19-2-1-3-23(13-19)34-30(39)33-18-31-14-20-10-21(15-31)12-22(11-20)16-31/h1-7,13,20-22,27,32,36-37H,8-12,14-18H2,(H,35,38)(H2,33,34,39)
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n/an/an/an/a 3.20n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at beta2 adrenoreceptor in guinea pig tracheal rings assessed as vasorelaxation

Bioorg Med Chem Lett 21: 1545-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.096
BindingDB Entry DOI: 10.7270/Q2W09668
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50343161
PNG
(5-((R)-2-(4-(4-(3-((R)-3-(diisopropylamino)-1-phen...)
Show SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCCOc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)ccc1O)C(C)C |r|
Show InChI InChI=1S/C44H55N3O5/c1-30(2)47(31(3)4)26-24-36(34-11-6-5-7-12-34)39-28-33(15-20-40(39)48)10-8-9-27-52-35-16-13-32(14-17-35)23-25-45-29-42(50)37-18-21-41(49)44-38(37)19-22-43(51)46-44/h5-7,11-22,28,30-31,36,42,45,48-50H,8-10,23-27,29H2,1-4H3,(H,46,51)/t36-,42+/m1/s1
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n/an/an/an/a 4n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at adrenergic beta2 receptor in guinea pig trachea assessed as bronchorelaxation activity against histamine-induced contraction

Bioorg Med Chem Lett 21: 2759-63 (2011)


Article DOI: 10.1016/j.bmcl.2010.10.132
BindingDB Entry DOI: 10.7270/Q2G73F1B
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50444836
PNG
(CHEMBL3099248)
Show SMILES COc1ccc(cc1OC)C1=NN(CCCCCCOc2ccc(CC(C)NCC(O)c3ccc(O)c(NC=O)c3)cc2)C(=O)C2CCCCC12 |t:11|
Show InChI InChI=1S/C40H52N4O7/c1-27(41-25-36(47)29-14-18-35(46)34(23-29)42-26-45)22-28-12-16-31(17-13-28)51-21-9-5-4-8-20-44-40(48)33-11-7-6-10-32(33)39(43-44)30-15-19-37(49-2)38(24-30)50-3/h12-19,23-24,26-27,32-33,36,41,46-47H,4-11,20-22,25H2,1-3H3,(H,42,45)
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n/an/an/an/a 5n/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Agonist activity at guinea pig trachea beta2-adrenergic receptor assessed as relaxation of histamine-induced tracheal ring contraction

Bioorg Med Chem Lett 24: 249-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.028
BindingDB Entry DOI: 10.7270/Q2319XBZ
More data for this
Ligand-Target Pair
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