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Compile Data Set for Download or QSAR

Found 62 hits with Last Name = 'monteith' and Initial = 'mj'   
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 and 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 40n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta2 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-ga...


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50413483
PNG
(CHEMBL514032)
Show SMILES CC(C)NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r|
Show InChI InChI=1S/C28H44N2O6S/c1-22(2)30-37(34,35)26-12-9-11-23(18-26)10-5-8-17-36-16-7-4-3-6-15-29-20-28(33)24-13-14-27(32)25(19-24)21-31/h9,11-14,18-19,22,28-33H,3-8,10,15-17,20-21H2,1-2H3/t28-/m0/s1
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n/an/an/an/a 10n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at beta-1 adrenergic receptor in guinea pig trachea assessed as inhibition of electrical stimulation-induced muscle contraction


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50413487
PNG
(CHEMBL516056)
Show SMILES CNS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r|
Show InChI InChI=1S/C26H40N2O6S/c1-27-35(32,33)24-11-8-10-21(17-24)9-4-7-16-34-15-6-3-2-5-14-28-19-26(31)22-12-13-25(30)23(18-22)20-29/h8,10-13,17-18,26-31H,2-7,9,14-16,19-20H2,1H3/t26-/m0/s1
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n/an/an/an/a 794n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-ga...


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50413488
PNG
(CHEMBL474393)
Show SMILES CN(C)S(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r|
Show InChI InChI=1S/C27H42N2O6S/c1-29(2)36(33,34)25-12-9-11-22(18-25)10-5-8-17-35-16-7-4-3-6-15-28-20-27(32)23-13-14-26(31)24(19-23)21-30/h9,11-14,18-19,27-28,30-32H,3-8,10,15-17,20-21H2,1-2H3/t27-/m0/s1
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n/an/an/an/a 631n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-ga...


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50413489
PNG
(CHEMBL500782)
Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(c1)S(=O)(=O)NC1CCCCC1 |r|
Show InChI InChI=1S/C31H48N2O6S/c34-24-27-22-26(16-17-30(27)35)31(36)23-32-18-7-1-2-8-19-39-20-9-6-11-25-12-10-15-29(21-25)40(37,38)33-28-13-4-3-5-14-28/h10,12,15-17,21-22,28,31-36H,1-9,11,13-14,18-20,23-24H2/t31-/m0/s1
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n/an/an/an/a 50n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-ga...


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50413491
PNG
(CHEMBL456485)
Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(c1)S(=O)(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C29H44N2O7S/c32-23-26-21-25(11-12-28(26)33)29(34)22-30-13-4-1-2-5-16-37-17-6-3-8-24-9-7-10-27(20-24)39(35,36)31-14-18-38-19-15-31/h7,9-12,20-21,29-30,32-34H,1-6,8,13-19,22-23H2/t29-/m0/s1
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n/an/an/an/a 631n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-ga...


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50413490
PNG
(CHEMBL506518)
Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(c1)S(=O)(=O)N1CCCCC1 |r|
Show InChI InChI=1S/C30H46N2O6S/c33-24-27-22-26(14-15-29(27)34)30(35)23-31-16-5-1-2-8-19-38-20-9-4-11-25-12-10-13-28(21-25)39(36,37)32-17-6-3-7-18-32/h10,12-15,21-22,30-31,33-35H,1-9,11,16-20,23-24H2/t30-/m0/s1
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n/an/an/an/a 158n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-ga...


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
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 0.251n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta2 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-ga...


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50413484
PNG
(CHEMBL475389)
Show SMILES NS(=O)(=O)c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 |r|
Show InChI InChI=1S/C25H38N2O6S/c26-34(31,32)23-11-8-20(9-12-23)7-3-6-16-33-15-5-2-1-4-14-27-18-25(30)21-10-13-24(29)22(17-21)19-28/h8-13,17,25,27-30H,1-7,14-16,18-19H2,(H2,26,31,32)/t25-/m0/s1
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n/an/an/an/a 2n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at beta-1 adrenergic receptor in guinea pig trachea assessed as inhibition of electrical stimulation-induced muscle contraction


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50413485
PNG
(CHEMBL446840 | CHEMBL483200)
Show SMILES NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r|
Show InChI InChI=1S/C25H38N2O6S/c26-34(31,32)23-10-7-9-20(16-23)8-3-6-15-33-14-5-2-1-4-13-27-18-25(30)21-11-12-24(29)22(17-21)19-28/h7,9-12,16-17,25,27-30H,1-6,8,13-15,18-19H2,(H2,26,31,32)/t25-/m0/s1
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n/an/an/an/a 316n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-g...


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50413480
PNG
(CHEMBL520313)
Show SMILES NS(=O)(=O)c1ccccc1CCCCOCCCCCCNC[C@H](O)c1ccc(O)c(CO)c1 |r|
Show InChI InChI=1S/C25H38N2O6S/c26-34(31,32)25-11-4-3-9-20(25)10-5-8-16-33-15-7-2-1-6-14-27-18-24(30)21-12-13-23(29)22(17-21)19-28/h3-4,9,11-13,17,24,27-30H,1-2,5-8,10,14-16,18-19H2,(H2,26,31,32)/t24-/m0/s1
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n/an/an/an/a 251n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-g...


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50413482
PNG
(CHEMBL443435)
Show SMILES NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(NC=O)c2)c1 |r|
Show InChI InChI=1S/C25H37N3O6S/c26-35(32,33)22-10-7-9-20(16-22)8-3-6-15-34-14-5-2-1-4-13-27-18-25(31)21-11-12-24(30)23(17-21)28-19-29/h7,9-12,16-17,19,25,27,30-31H,1-6,8,13-15,18H2,(H,28,29)(H2,26,32,33)/t25-/m0/s1
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n/an/an/an/a 25n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-g...


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50413496
PNG
(CHEMBL483407)
Show SMILES NS(=O)(=O)c1cccc(CCCCCCOCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r|
Show InChI InChI=1S/C25H38N2O6S/c26-34(31,32)23-10-7-9-20(16-23)8-3-1-2-5-14-33-15-6-4-13-27-18-25(30)21-11-12-24(29)22(17-21)19-28/h7,9-12,16-17,25,27-30H,1-6,8,13-15,18-19H2,(H2,26,31,32)/t25-/m0/s1
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n/an/an/an/a 7.94E+4n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-g...


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
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 1.26E+3n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-ga...


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50413482
PNG
(CHEMBL443435)
Show SMILES NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(NC=O)c2)c1 |r|
Show InChI InChI=1S/C25H37N3O6S/c26-35(32,33)22-10-7-9-20(16-22)8-3-6-15-34-14-5-2-1-4-13-27-18-25(31)21-11-12-24(30)23(17-21)28-19-29/h7,9-12,16-17,19,25,27,30-31H,1-6,8,13-15,18H2,(H,28,29)(H2,26,32,33)/t25-/m0/s1
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n/an/an/an/a 200n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-ga...


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50413485
PNG
(CHEMBL446840 | CHEMBL483200)
Show SMILES NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r|
Show InChI InChI=1S/C25H38N2O6S/c26-34(31,32)23-10-7-9-20(16-23)8-3-6-15-33-14-5-2-1-4-13-27-18-25(30)21-11-12-24(29)22(17-21)19-28/h7,9-12,16-17,25,27-30H,1-6,8,13-15,18-19H2,(H2,26,31,32)/t25-/m0/s1
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n/an/an/an/a 1.59E+3n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-ga...


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50413483
PNG
(CHEMBL514032)
Show SMILES CC(C)NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r|
Show InChI InChI=1S/C28H44N2O6S/c1-22(2)30-37(34,35)26-12-9-11-23(18-26)10-5-8-17-36-16-7-4-3-6-15-29-20-28(33)24-13-14-27(32)25(19-24)21-31/h9,11-14,18-19,22,28-33H,3-8,10,15-17,20-21H2,1-2H3/t28-/m0/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-g...


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50413496
PNG
(CHEMBL483407)
Show SMILES NS(=O)(=O)c1cccc(CCCCCCOCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r|
Show InChI InChI=1S/C25H38N2O6S/c26-34(31,32)23-10-7-9-20(16-23)8-3-1-2-5-14-33-15-6-4-13-27-18-25(30)21-11-12-24(29)22(17-21)19-28/h7,9-12,16-17,25,27-30H,1-6,8,13-15,18-19H2,(H2,26,31,32)/t25-/m0/s1
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n/an/an/an/a 2.00E+3n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-ga...


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50413480
PNG
(CHEMBL520313)
Show SMILES NS(=O)(=O)c1ccccc1CCCCOCCCCCCNC[C@H](O)c1ccc(O)c(CO)c1 |r|
Show InChI InChI=1S/C25H38N2O6S/c26-34(31,32)25-11-4-3-9-20(25)10-5-8-16-33-15-7-2-1-6-14-27-18-24(30)21-12-13-23(29)22(17-21)19-28/h3-4,9,11-13,17,24,27-30H,1-2,5-8,10,14-16,18-19H2,(H2,26,31,32)/t24-/m0/s1
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n/an/an/an/a 501n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-ga...


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
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 0.501n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta2 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-ga...


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50413493
PNG
(CHEMBL475237)
Show SMILES NS(=O)(=O)Cc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r|
Show InChI InChI=1S/C26H40N2O6S/c27-35(32,33)20-22-10-7-9-21(16-22)8-3-6-15-34-14-5-2-1-4-13-28-18-26(31)23-11-12-25(30)24(17-23)19-29/h7,9-12,16-17,26,28-31H,1-6,8,13-15,18-20H2,(H2,27,32,33)/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 human cloned beta2 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-ga...


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50413483
PNG
(CHEMBL514032)
Show SMILES CC(C)NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r|
Show InChI InChI=1S/C28H44N2O6S/c1-22(2)30-37(34,35)26-12-9-11-23(18-26)10-5-8-17-36-16-7-4-3-6-15-29-20-28(33)24-13-14-27(32)25(19-24)21-31/h9,11-14,18-19,22,28-33H,3-8,10,15-17,20-21H2,1-2H3/t28-/m0/s1
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n/an/an/an/a 0.501n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta2 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-ga...


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50413481
PNG
(CHEMBL474616 | CHEMBL485847)
Show SMILES NS(=O)(=O)c1cccc(CCCOCCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r|
Show InChI InChI=1S/C25H38N2O6S/c26-34(31,32)23-10-6-8-20(16-23)9-7-15-33-14-5-3-1-2-4-13-27-18-25(30)21-11-12-24(29)22(17-21)19-28/h6,8,10-12,16-17,25,27-30H,1-5,7,9,13-15,18-19H2,(H2,26,31,32)/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 human cloned beta2 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-ga...


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50413485
PNG
(CHEMBL446840 | CHEMBL483200)
Show SMILES NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r|
Show InChI InChI=1S/C25H38N2O6S/c26-34(31,32)23-10-7-9-20(16-23)8-3-6-15-33-14-5-2-1-4-13-27-18-25(30)21-11-12-24(29)22(17-21)19-28/h7,9-12,16-17,25,27-30H,1-6,8,13-15,18-19H2,(H2,26,31,32)/t25-/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 beta-1 adrenergic receptor in guinea pig trachea assessed as inhibition of electrical stimulation-induced muscle contraction


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50413495
PNG
(CHEMBL483202)
Show SMILES NS(=O)(=O)c1cccc(CCCCCOCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r|
Show InChI InChI=1S/C25H38N2O6S/c26-34(31,32)23-10-7-9-20(16-23)8-3-1-5-14-33-15-6-2-4-13-27-18-25(30)21-11-12-24(29)22(17-21)19-28/h7,9-12,16-17,25,27-30H,1-6,8,13-15,18-19H2,(H2,26,31,32)/t25-/m0/s1
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n/an/an/an/a 7.90n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta2 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-ga...


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50413492
PNG
(CHEMBL475236)
Show SMILES NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@@H](O)c2ccc(O)c(CO)c2)c1 |r|
Show InChI InChI=1S/C25H38N2O6S/c26-34(31,32)23-10-7-9-20(16-23)8-3-6-15-33-14-5-2-1-4-13-27-18-25(30)21-11-12-24(29)22(17-21)19-28/h7,9-12,16-17,25,27-30H,1-6,8,13-15,18-19H2,(H2,26,31,32)/t25-/m1/s1
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n/an/an/an/a 10n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta2 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-ga...


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50413480
PNG
(CHEMBL520313)
Show SMILES NS(=O)(=O)c1ccccc1CCCCOCCCCCCNC[C@H](O)c1ccc(O)c(CO)c1 |r|
Show InChI InChI=1S/C25H38N2O6S/c26-34(31,32)25-11-4-3-9-20(25)10-5-8-16-33-15-7-2-1-6-14-27-18-24(30)21-12-13-23(29)22(17-21)19-28/h3-4,9,11-13,17,24,27-30H,1-2,5-8,10,14-16,18-19H2,(H2,26,31,32)/t24-/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 beta-1 adrenergic receptor in guinea pig trachea assessed as inhibition of electrical stimulation-induced muscle contraction


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50413495
PNG
(CHEMBL483202)
Show SMILES NS(=O)(=O)c1cccc(CCCCCOCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r|
Show InChI InChI=1S/C25H38N2O6S/c26-34(31,32)23-10-7-9-20(16-23)8-3-1-5-14-33-15-6-2-4-13-27-18-25(30)21-11-12-24(29)22(17-21)19-28/h7,9-12,16-17,25,27-30H,1-6,8,13-15,18-19H2,(H2,26,31,32)/t25-/m0/s1
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n/an/an/an/a 2.51E+3n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-ga...


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50413492
PNG
(CHEMBL475236)
Show SMILES NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@@H](O)c2ccc(O)c(CO)c2)c1 |r|
Show InChI InChI=1S/C25H38N2O6S/c26-34(31,32)23-10-7-9-20(16-23)8-3-6-15-33-14-5-2-1-4-13-27-18-25(30)21-11-12-24(29)22(17-21)19-28/h7,9-12,16-17,25,27-30H,1-6,8,13-15,18-19H2,(H2,26,31,32)/t25-/m1/s1
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n/an/an/an/a 5.01E+3n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-g...


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50413492
PNG
(CHEMBL475236)
Show SMILES NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@@H](O)c2ccc(O)c(CO)c2)c1 |r|
Show InChI InChI=1S/C25H38N2O6S/c26-34(31,32)23-10-7-9-20(16-23)8-3-6-15-33-14-5-2-1-4-13-27-18-25(30)21-11-12-24(29)22(17-21)19-28/h7,9-12,16-17,25,27-30H,1-6,8,13-15,18-19H2,(H2,26,31,32)/t25-/m1/s1
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n/an/an/an/a 2.00E+4n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-ga...


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50413493
PNG
(CHEMBL475237)
Show SMILES NS(=O)(=O)Cc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r|
Show InChI InChI=1S/C26H40N2O6S/c27-35(32,33)20-22-10-7-9-21(16-22)8-3-6-15-34-14-5-2-1-4-13-28-18-26(31)23-11-12-25(30)24(17-23)19-29/h7,9-12,16-17,26,28-31H,1-6,8,13-15,18-20H2,(H2,27,32,33)/t26-/m0/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-g...


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50413481
PNG
(CHEMBL474616 | CHEMBL485847)
Show SMILES NS(=O)(=O)c1cccc(CCCOCCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r|
Show InChI InChI=1S/C25H38N2O6S/c26-34(31,32)23-10-6-8-20(16-23)9-7-15-33-14-5-3-1-2-4-13-27-18-25(30)21-11-12-24(29)22(17-21)19-28/h6,8,10-12,16-17,25,27-30H,1-5,7,9,13-15,18-19H2,(H2,26,31,32)/t25-/m0/s1
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n/an/an/an/a 1.26E+3n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-g...


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50413481
PNG
(CHEMBL474616 | CHEMBL485847)
Show SMILES NS(=O)(=O)c1cccc(CCCOCCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r|
Show InChI InChI=1S/C25H38N2O6S/c26-34(31,32)23-10-6-8-20(16-23)9-7-15-33-14-5-3-1-2-4-13-27-18-25(30)21-11-12-24(29)22(17-21)19-28/h6,8,10-12,16-17,25,27-30H,1-5,7,9,13-15,18-19H2,(H2,26,31,32)/t25-/m0/s1
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n/an/an/an/a 316n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-ga...


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50413495
PNG
(CHEMBL483202)
Show SMILES NS(=O)(=O)c1cccc(CCCCCOCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r|
Show InChI InChI=1S/C25H38N2O6S/c26-34(31,32)23-10-7-9-20(16-23)8-3-1-5-14-33-15-6-2-4-13-27-18-25(30)21-11-12-24(29)22(17-21)19-28/h7,9-12,16-17,25,27-30H,1-6,8,13-15,18-19H2,(H2,26,31,32)/t25-/m0/s1
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n/an/an/an/a 1.26E+3n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-g...


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50413493
PNG
(CHEMBL475237)
Show SMILES NS(=O)(=O)Cc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r|
Show InChI InChI=1S/C26H40N2O6S/c27-35(32,33)20-22-10-7-9-21(16-22)8-3-6-15-34-14-5-2-1-4-13-28-18-26(31)23-11-12-25(30)24(17-23)19-29/h7,9-12,16-17,26,28-31H,1-6,8,13-15,18-20H2,(H2,27,32,33)/t26-/m0/s1
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n/an/an/an/a 2.51E+3n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-ga...


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50413482
PNG
(CHEMBL443435)
Show SMILES NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(NC=O)c2)c1 |r|
Show InChI InChI=1S/C25H37N3O6S/c26-35(32,33)22-10-7-9-20(16-22)8-3-6-15-34-14-5-2-1-4-13-27-18-25(31)21-11-12-24(30)23(17-21)28-19-29/h7,9-12,16-17,19,25,27,30-31H,1-6,8,13-15,18H2,(H,28,29)(H2,26,32,33)/t25-/m0/s1
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n/an/an/an/a 0.158n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta2 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-ga...


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50413480
PNG
(CHEMBL520313)
Show SMILES NS(=O)(=O)c1ccccc1CCCCOCCCCCCNC[C@H](O)c1ccc(O)c(CO)c1 |r|
Show InChI InChI=1S/C25H38N2O6S/c26-34(31,32)25-11-4-3-9-20(25)10-5-8-16-33-15-7-2-1-6-14-27-18-24(30)21-12-13-23(29)22(17-21)19-28/h3-4,9,11-13,17,24,27-30H,1-2,5-8,10,14-16,18-19H2,(H2,26,31,32)/t24-/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 human cloned beta2 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-ga...


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
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 40n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-ga...


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
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 25n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-ga...


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
Beta-1 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 5n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at beta-1 adrenergic receptor in guinea pig trachea assessed as inhibition of electrical stimulation-induced muscle contraction


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50413481
PNG
(CHEMBL474616 | CHEMBL485847)
Show SMILES NS(=O)(=O)c1cccc(CCCOCCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r|
Show InChI InChI=1S/C25H38N2O6S/c26-34(31,32)23-10-6-8-20(16-23)9-7-15-33-14-5-3-1-2-4-13-27-18-25(30)21-11-12-24(29)22(17-21)19-28/h6,8,10-12,16-17,25,27-30H,1-5,7,9,13-15,18-19H2,(H2,26,31,32)/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 beta-1 adrenergic receptor in guinea pig trachea assessed as inhibition of electrical stimulation-induced muscle contraction


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50413496
PNG
(CHEMBL483407)
Show SMILES NS(=O)(=O)c1cccc(CCCCCCOCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r|
Show InChI InChI=1S/C25H38N2O6S/c26-34(31,32)23-10-7-9-20(16-23)8-3-1-2-5-14-33-15-6-4-13-27-18-25(30)21-11-12-24(29)22(17-21)19-28/h7,9-12,16-17,25,27-30H,1-6,8,13-15,18-19H2,(H2,26,31,32)/t25-/m0/s1
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n/an/an/an/a 2.51E+4n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta2 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-ga...


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
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 40n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-g...


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50413482
PNG
(CHEMBL443435)
Show SMILES NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(NC=O)c2)c1 |r|
Show InChI InChI=1S/C25H37N3O6S/c26-35(32,33)22-10-7-9-20(16-22)8-3-6-15-34-14-5-2-1-4-13-27-18-25(31)21-11-12-24(30)23(17-21)28-19-29/h7,9-12,16-17,19,25,27,30-31H,1-6,8,13-15,18H2,(H,28,29)(H2,26,32,33)/t25-/m0/s1
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n/an/an/an/a 0.0398n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at beta-1 adrenergic receptor in guinea pig trachea assessed as inhibition of electrical stimulation-induced muscle contraction


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50413485
PNG
(CHEMBL446840 | CHEMBL483200)
Show SMILES NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r|
Show InChI InChI=1S/C25H38N2O6S/c26-34(31,32)23-10-7-9-20(16-23)8-3-6-15-33-14-5-2-1-4-13-27-18-25(30)21-11-12-24(29)22(17-21)19-28/h7,9-12,16-17,25,27-30H,1-6,8,13-15,18-19H2,(H2,26,31,32)/t25-/m0/s1
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n/an/an/an/a 0.158n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta2 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-ga...


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50413483
PNG
(CHEMBL514032)
Show SMILES CC(C)NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r|
Show InChI InChI=1S/C28H44N2O6S/c1-22(2)30-37(34,35)26-12-9-11-23(18-26)10-5-8-17-36-16-7-4-3-6-15-29-20-28(33)24-13-14-27(32)25(19-24)21-31/h9,11-14,18-19,22,28-33H,3-8,10,15-17,20-21H2,1-2H3/t28-/m0/s1
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n/an/an/an/a 316n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-ga...


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
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 7.90n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-g...


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
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 794n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-g...


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50413489
PNG
(CHEMBL500782)
Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(c1)S(=O)(=O)NC1CCCCC1 |r|
Show InChI InChI=1S/C31H48N2O6S/c34-24-27-22-26(16-17-30(27)35)31(36)23-32-18-7-1-2-8-19-39-20-9-6-11-25-12-10-15-29(21-25)40(37,38)33-28-13-4-3-5-14-28/h10,12,15-17,21-22,28,31-36H,1-9,11,13-14,18-20,23-24H2/t31-/m0/s1
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n/an/an/an/a 100n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-g...


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50413490
PNG
(CHEMBL506518)
Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(c1)S(=O)(=O)N1CCCCC1 |r|
Show InChI InChI=1S/C30H46N2O6S/c33-24-27-22-26(14-15-29(27)34)30(35)23-31-16-5-1-2-8-19-38-20-9-4-11-25-12-10-13-28(21-25)39(36,37)32-17-6-3-7-18-32/h10,12-15,21-22,30-31,33-35H,1-9,11,16-20,23-24H2/t30-/m0/s1
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n/an/an/an/a 126n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-g...


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
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