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Compile Data Set for Download or QSAR

Found 106 hits of ec50 data for polymerid = 49000249,49000250,49000251   
Target
(Institution)
LigandTarget
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


Citation and Details
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
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


Citation and Details
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


Citation and Details
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
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...


Citation and Details
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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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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


Citation and Details
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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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


Citation and Details
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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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


Citation and Details
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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Rhône-Poulenc Rorer

Curated by ChEMBL


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


Citation and Details
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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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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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...


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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


Citation and Details
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


Citation and Details
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
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


Citation and Details
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


Citation and Details
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
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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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


Citation and Details
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


Citation and Details
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
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 1n/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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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...


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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)

More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50407517
PNG
(CHEMBL1160723 | ISOPROTERENOL | 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)

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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
More data for this
Ligand-Target Pair
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