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PubMed code 19362005

Compile data set for download or QSAR
Found 74 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50259321
PNG
((S)-4'-{2-[(2-Hydroxy-3-phenoxypropyl)amino]ethyl}...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2cn(Cc3ccccc3)cn2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C29H32N4O3/c34-27(21-36-28-9-5-2-6-10-28)18-30-16-15-23-11-13-25(14-12-23)32-29(35)17-26-20-33(22-31-26)19-24-7-3-1-4-8-24/h1-14,20,22,27,30,34H,15-19,21H2,(H,32,35)/t27-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50259522
PNG
((S)-1-[(2-{1-[(1-Benzylimidazol-2-yl)acetyl]-1,2,3...)
Show SMILES O[C@@H](CNCCc1ccc2N(CCCc2c1)C(=O)Cc1nccn1Cc1ccccc1)COc1ccccc1 |r|
Show InChI InChI=1S/C32H36N4O3/c37-28(24-39-29-11-5-2-6-12-29)22-33-16-15-25-13-14-30-27(20-25)10-7-18-36(30)32(38)21-31-34-17-19-35(31)23-26-8-3-1-4-9-26/h1-6,8-9,11-14,17,19-20,28,33,37H,7,10,15-16,18,21-24H2/t28-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50259125
PNG
((S)-4'-(2-{[2-Hydroxy-3-(4-hydroxyphenoxy)propyl]a...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2ccccn2)cc1)COc1ccc(O)cc1 |r|
Show InChI InChI=1S/C24H27N3O4/c28-21-8-10-23(11-9-21)31-17-22(29)16-25-14-12-18-4-6-19(7-5-18)27-24(30)15-20-3-1-2-13-26-20/h1-11,13,22,25,28-29H,12,14-17H2,(H,27,30)/t22-/m0/s1
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n/an/an/an/a 2.70E+3n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50259164
PNG
((S)-4'-(2-{[2-Hydroxy-3-(4-methylsulfonamidophenox...)
Show SMILES CS(=O)(=O)Nc1ccc(OC[C@@H](O)CNCCc2ccc(NC(=O)Cc3ccccn3)cc2)cc1 |r|
Show InChI InChI=1S/C25H30N4O5S/c1-35(32,33)29-21-9-11-24(12-10-21)34-18-23(30)17-26-15-13-19-5-7-20(8-6-19)28-25(31)16-22-4-2-3-14-27-22/h2-12,14,23,26,29-30H,13,15-18H2,1H3,(H,28,31)/t23-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50259206
PNG
((S)-4'-(2-{[2-Hydroxy-3-phenoxypropyl]amino}ethyl)...)
Show SMILES Cc1cccnc1CC(=O)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 |r|
Show InChI InChI=1S/C25H29N3O3/c1-19-6-5-14-27-24(19)16-25(30)28-21-11-9-20(10-12-21)13-15-26-17-22(29)18-31-23-7-3-2-4-8-23/h2-12,14,22,26,29H,13,15-18H2,1H3,(H,28,30)/t22-/m0/s1
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n/an/an/an/a 390n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50259365
PNG
((S)-4'-{2-[(2-Hydroxy-3-phenoxypropyl)amino]ethyl}...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2nccn2Cc2ccc3ccccc3c2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C33H34N4O3/c38-30(24-40-31-8-2-1-3-9-31)22-34-17-16-25-11-14-29(15-12-25)36-33(39)21-32-35-18-19-37(32)23-26-10-13-27-6-4-5-7-28(27)20-26/h1-15,18-20,30,34,38H,16-17,21-24H2,(H,36,39)/t30-/m0/s1
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n/an/an/an/a 69n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50259366
PNG
((S)-4'-{2-[(2-Hydroxy-3-phenoxypropyl)amino]propyl...)
Show SMILES CC(Cc1ccc(NC(=O)Cc2nccn2Cc2ccccc2)cc1)NC[C@H](O)COc1ccccc1 |r|
Show InChI InChI=1S/C30H34N4O3/c1-23(32-20-27(35)22-37-28-10-6-3-7-11-28)18-24-12-14-26(15-13-24)33-30(36)19-29-31-16-17-34(29)21-25-8-4-2-5-9-25/h2-17,23,27,32,35H,18-22H2,1H3,(H,33,36)/t23?,27-/m0/s1
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n/an/an/an/a 30n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50259468
PNG
((S)-N-Methyl-4'-{2-[(2-hydroxy-3-phenoxypropyl)-am...)
Show SMILES CN(C(=O)Cc1nccn1Cc1ccccc1)c1ccc(CCNC[C@H](O)COc2ccccc2)cc1 |r|
Show InChI InChI=1S/C30H34N4O3/c1-33(30(36)20-29-32-18-19-34(29)22-25-8-4-2-5-9-25)26-14-12-24(13-15-26)16-17-31-21-27(35)23-37-28-10-6-3-7-11-28/h2-15,18-19,27,31,35H,16-17,20-23H2,1H3/t27-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50259207
PNG
((S)-4'-(2-{[2-Hydroxy-3-phenoxypropyl]amino}ethyl)...)
Show SMILES Cc1cc(C)nc(CC(=O)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)c1 |r|
Show InChI InChI=1S/C26H31N3O3/c1-19-14-20(2)28-23(15-19)16-26(31)29-22-10-8-21(9-11-22)12-13-27-17-24(30)18-32-25-6-4-3-5-7-25/h3-11,14-15,24,27,30H,12-13,16-18H2,1-2H3,(H,29,31)/t24-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50259366
PNG
((S)-4'-{2-[(2-Hydroxy-3-phenoxypropyl)amino]propyl...)
Show SMILES CC(Cc1ccc(NC(=O)Cc2nccn2Cc2ccccc2)cc1)NC[C@H](O)COc1ccccc1 |r|
Show InChI InChI=1S/C30H34N4O3/c1-23(32-20-27(35)22-37-28-10-6-3-7-11-28)18-24-12-14-26(15-13-24)33-30(36)19-29-31-16-17-34(29)21-25-8-4-2-5-9-25/h2-17,23,27,32,35H,18-22H2,1H3,(H,33,36)/t23?,27-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50259124
PNG
((S)-4'-(2-{[2-Hydroxy-3-(carbazol-4-yloxy)propyl]-...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2ccccn2)cc1)COc1cccc2[nH]ccc12 |r|
Show InChI InChI=1S/C26H28N4O3/c31-22(18-33-25-6-3-5-24-23(25)12-15-29-24)17-27-14-11-19-7-9-20(10-8-19)30-26(32)16-21-4-1-2-13-28-21/h1-10,12-13,15,22,27,29,31H,11,14,16-18H2,(H,30,32)/t22-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50259255
PNG
((S)-4'-{2-[(2-Hydroxy-3-phenoxypropyl)amino]ethyl}...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2nccn2Cc2ccccc2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C29H32N4O3/c34-26(22-36-27-9-5-2-6-10-27)20-30-16-15-23-11-13-25(14-12-23)32-29(35)19-28-31-17-18-33(28)21-24-7-3-1-4-8-24/h1-14,17-18,26,30,34H,15-16,19-22H2,(H,32,35)/t26-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50259364
PNG
((S)-4'-{2-[(2-Hydroxy-3-phenoxypropyl)amino]ethyl}...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2nccn2Cc2ccc(Br)cc2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C29H31BrN4O3/c30-24-10-6-23(7-11-24)20-34-17-16-32-28(34)18-29(36)33-25-12-8-22(9-13-25)14-15-31-19-26(35)21-37-27-4-2-1-3-5-27/h1-13,16-17,26,31,35H,14-15,18-21H2,(H,33,36)/t26-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50259166
PNG
((S)-4'-(2-{[2-Hydroxy-3-(2-benzimidazolon-4-yloxy)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2ccccn2)cc1)COc1cccnc1 |r|
Show InChI InChI=1S/C23H26N4O3/c28-21(17-30-22-5-3-11-24-16-22)15-25-13-10-18-6-8-19(9-7-18)27-23(29)14-20-4-1-2-12-26-20/h1-9,11-12,16,21,25,28H,10,13-15,17H2,(H,27,29)/t21-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50259253
PNG
((S)-4'-{2-[(2-Hydroxy-3-phenoxypropyl)amino]ethyl}...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2ncc[nH]2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C22H26N4O3/c27-19(16-29-20-4-2-1-3-5-20)15-23-11-10-17-6-8-18(9-7-17)26-22(28)14-21-24-12-13-25-21/h1-9,12-13,19,23,27H,10-11,14-16H2,(H,24,25)(H,26,28)/t19-/m0/s1
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n/an/an/an/a 510n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50259255
PNG
((S)-4'-{2-[(2-Hydroxy-3-phenoxypropyl)amino]ethyl}...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2nccn2Cc2ccccc2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C29H32N4O3/c34-26(22-36-27-9-5-2-6-10-27)20-30-16-15-23-11-13-25(14-12-23)32-29(35)19-28-31-17-18-33(28)21-24-7-3-1-4-8-24/h1-14,17-18,26,30,34H,15-16,19-22H2,(H,32,35)/t26-/m0/s1
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n/an/an/an/a 130n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50259167
PNG
((S)-4'-(2-{[2-Hydroxy-3-(indol-4-yloxy)propyl]amin...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2ccccn2)cc1)COc1cccc2[nH]c(=O)[nH]c12 |r|
Show InChI InChI=1S/C25H27N5O4/c31-20(16-34-22-6-3-5-21-24(22)30-25(33)29-21)15-26-13-11-17-7-9-18(10-8-17)28-23(32)14-19-4-1-2-12-27-19/h1-10,12,20,26,31H,11,13-16H2,(H,28,32)(H2,29,30,33)/t20-/m0/s1
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n/an/an/an/a 280n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50259253
PNG
((S)-4'-{2-[(2-Hydroxy-3-phenoxypropyl)amino]ethyl}...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2ncc[nH]2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C22H26N4O3/c27-19(16-29-20-4-2-1-3-5-20)15-23-11-10-17-6-8-18(9-7-17)26-22(28)14-21-24-12-13-25-21/h1-9,12-13,19,23,27H,10-11,14-16H2,(H,24,25)(H,26,28)/t19-/m0/s1
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n/an/an/an/a 9.60E+3n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50259366
PNG
((S)-4'-{2-[(2-Hydroxy-3-phenoxypropyl)amino]propyl...)
Show SMILES CC(Cc1ccc(NC(=O)Cc2nccn2Cc2ccccc2)cc1)NC[C@H](O)COc1ccccc1 |r|
Show InChI InChI=1S/C30H34N4O3/c1-23(32-20-27(35)22-37-28-10-6-3-7-11-28)18-24-12-14-26(15-13-24)33-30(36)19-29-31-16-17-34(29)21-25-8-4-2-5-9-25/h2-17,23,27,32,35H,18-22H2,1H3,(H,33,36)/t23?,27-/m0/s1
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n/an/an/an/a 62n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50259205
PNG
((S)-4'-(2-{[2-Hydroxy-3-(carbazol-4-yloxy)propyl]-...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2ccccn2)cc1)COc1cccc2[nH]c3ccccc3c12 |r|
Show InChI InChI=1S/C30H30N4O3/c35-24(20-37-28-10-5-9-27-30(28)25-7-1-2-8-26(25)34-27)19-31-17-15-21-11-13-22(14-12-21)33-29(36)18-23-6-3-4-16-32-23/h1-14,16,24,31,34-35H,15,17-20H2,(H,33,36)/t24-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50259208
PNG
((S)-4'-{2-[(2-Hydroxy-3-phenoxypropyl)amino]ethyl}...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2cccc(Cl)n2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C24H26ClN3O3/c25-23-8-4-5-20(27-23)15-24(30)28-19-11-9-18(10-12-19)13-14-26-16-21(29)17-31-22-6-2-1-3-7-22/h1-12,21,26,29H,13-17H2,(H,28,30)/t21-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50259205
PNG
((S)-4'-(2-{[2-Hydroxy-3-(carbazol-4-yloxy)propyl]-...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2ccccn2)cc1)COc1cccc2[nH]c3ccccc3c12 |r|
Show InChI InChI=1S/C30H30N4O3/c35-24(20-37-28-10-5-9-27-30(28)25-7-1-2-8-26(25)34-27)19-31-17-15-21-11-13-22(14-12-21)33-29(36)18-23-6-3-4-16-32-23/h1-14,16,24,31,34-35H,15,17-20H2,(H,33,36)/t24-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50259320
PNG
((S)-4'-(2-{[2-Hydroxy-3-phenoxypropyl]amino}ethyl)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2nc3ccccc3n2Cc2ccccc2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C33H34N4O3/c38-28(24-40-29-11-5-2-6-12-29)22-34-20-19-25-15-17-27(18-16-25)35-33(39)21-32-36-30-13-7-8-14-31(30)37(32)23-26-9-3-1-4-10-26/h1-18,28,34,38H,19-24H2,(H,35,39)/t28-/m0/s1
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n/an/an/an/a 140n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50259366
PNG
((S)-4'-{2-[(2-Hydroxy-3-phenoxypropyl)amino]propyl...)
Show SMILES CC(Cc1ccc(NC(=O)Cc2nccn2Cc2ccccc2)cc1)NC[C@H](O)COc1ccccc1 |r|
Show InChI InChI=1S/C30H34N4O3/c1-23(32-20-27(35)22-37-28-10-6-3-7-11-28)18-24-12-14-26(15-13-24)33-30(36)19-29-31-16-17-34(29)21-25-8-4-2-5-9-25/h2-17,23,27,32,35H,18-22H2,1H3,(H,33,36)/t23?,27-/m0/s1
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n/an/an/an/a 30n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50259322
PNG
((S)-4'-{2-[(2-Hydroxy-3-phenoxypropyl)amino]ethyl}...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2nccn2Cc2ccc(Cl)cc2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C29H31ClN4O3/c30-24-10-6-23(7-11-24)20-34-17-16-32-28(34)18-29(36)33-25-12-8-22(9-13-25)14-15-31-19-26(35)21-37-27-4-2-1-3-5-27/h1-13,16-17,26,31,35H,14-15,18-21H2,(H,33,36)/t26-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50259320
PNG
((S)-4'-(2-{[2-Hydroxy-3-phenoxypropyl]amino}ethyl)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2nc3ccccc3n2Cc2ccccc2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C33H34N4O3/c38-28(24-40-29-11-5-2-6-12-29)22-34-20-19-25-15-17-27(18-16-25)35-33(39)21-32-36-30-13-7-8-14-31(30)37(32)23-26-9-3-1-4-10-26/h1-18,28,34,38H,19-24H2,(H,35,39)/t28-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50259206
PNG
((S)-4'-(2-{[2-Hydroxy-3-phenoxypropyl]amino}ethyl)...)
Show SMILES Cc1cccnc1CC(=O)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 |r|
Show InChI InChI=1S/C25H29N3O3/c1-19-6-5-14-27-24(19)16-25(30)28-21-11-9-20(10-12-21)13-15-26-17-22(29)18-31-23-7-3-2-4-8-23/h2-12,14,22,26,29H,13,15-18H2,1H3,(H,28,30)/t22-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50259252
PNG
((S)-4'-{2-[(2-Hydroxy-3-phenoxypropyl)amino]ethyl}...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2cccc(OCc3ccccc3)n2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C31H33N3O4/c35-28(23-37-29-11-5-2-6-12-29)21-32-19-18-24-14-16-26(17-15-24)33-30(36)20-27-10-7-13-31(34-27)38-22-25-8-3-1-4-9-25/h1-17,28,32,35H,18-23H2,(H,33,36)/t28-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50259124
PNG
((S)-4'-(2-{[2-Hydroxy-3-(carbazol-4-yloxy)propyl]-...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2ccccn2)cc1)COc1cccc2[nH]ccc12 |r|
Show InChI InChI=1S/C26H28N4O3/c31-22(18-33-25-6-3-5-24-23(25)12-15-29-24)17-27-14-11-19-7-9-20(10-8-19)30-26(32)16-21-4-1-2-13-28-21/h1-10,12-13,15,22,27,29,31H,11,14,16-18H2,(H,30,32)/t22-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50259207
PNG
((S)-4'-(2-{[2-Hydroxy-3-phenoxypropyl]amino}ethyl)...)
Show SMILES Cc1cc(C)nc(CC(=O)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)c1 |r|
Show InChI InChI=1S/C26H31N3O3/c1-19-14-20(2)28-23(15-19)16-26(31)29-22-10-8-21(9-11-22)12-13-27-17-24(30)18-32-25-6-4-3-5-7-25/h3-11,14-15,24,27,30H,12-13,16-18H2,1-2H3,(H,29,31)/t24-/m0/s1
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n/an/an/an/a 310n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50259254
PNG
((S)-4'-{2-[(2-Hydroxy-3-phenoxypropyl)amino]ethyl}...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2nccn2-c2ccccc2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C28H30N4O3/c33-25(21-35-26-9-5-2-6-10-26)20-29-16-15-22-11-13-23(14-12-22)31-28(34)19-27-30-17-18-32(27)24-7-3-1-4-8-24/h1-14,17-18,25,29,33H,15-16,19-21H2,(H,31,34)/t25-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50259320
PNG
((S)-4'-(2-{[2-Hydroxy-3-phenoxypropyl]amino}ethyl)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2nc3ccccc3n2Cc2ccccc2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C33H34N4O3/c38-28(24-40-29-11-5-2-6-12-29)22-34-20-19-25-15-17-27(18-16-25)35-33(39)21-32-36-30-13-7-8-14-31(30)37(32)23-26-9-3-1-4-10-26/h1-18,28,34,38H,19-24H2,(H,35,39)/t28-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50259321
PNG
((S)-4'-{2-[(2-Hydroxy-3-phenoxypropyl)amino]ethyl}...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2cn(Cc3ccccc3)cn2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C29H32N4O3/c34-27(21-36-28-9-5-2-6-10-28)18-30-16-15-23-11-13-25(14-12-23)32-29(35)17-26-20-33(22-31-26)19-24-7-3-1-4-8-24/h1-14,20,22,27,30,34H,15-19,21H2,(H,32,35)/t27-/m0/s1
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n/an/an/an/a 280n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50259125
PNG
((S)-4'-(2-{[2-Hydroxy-3-(4-hydroxyphenoxy)propyl]a...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2ccccn2)cc1)COc1ccc(O)cc1 |r|
Show InChI InChI=1S/C24H27N3O4/c28-21-8-10-23(11-9-21)31-17-22(29)16-25-14-12-18-4-6-19(7-5-18)27-24(30)15-20-3-1-2-13-26-20/h1-11,13,22,25,28-29H,12,14-17H2,(H,27,30)/t22-/m0/s1
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n/an/an/an/a 290n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50259165
PNG
((S)-4'-(2-{[2-Hydroxy-3-phenoxypropyl]amino}ethyl)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2ccccn2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C24H27N3O3/c28-22(18-30-23-7-2-1-3-8-23)17-25-15-13-19-9-11-20(12-10-19)27-24(29)16-21-6-4-5-14-26-21/h1-12,14,22,25,28H,13,15-18H2,(H,27,29)/t22-/m0/s1
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n/an/an/an/a 1.20E+5n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
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 100n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50259207
PNG
((S)-4'-(2-{[2-Hydroxy-3-phenoxypropyl]amino}ethyl)...)
Show SMILES Cc1cc(C)nc(CC(=O)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)c1 |r|
Show InChI InChI=1S/C26H31N3O3/c1-19-14-20(2)28-23(15-19)16-26(31)29-22-10-8-21(9-11-22)12-13-27-17-24(30)18-32-25-6-4-3-5-7-25/h3-11,14-15,24,27,30H,12-13,16-18H2,1-2H3,(H,29,31)/t24-/m0/s1
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n/an/an/an/a 280n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50259252
PNG
((S)-4'-{2-[(2-Hydroxy-3-phenoxypropyl)amino]ethyl}...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2cccc(OCc3ccccc3)n2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C31H33N3O4/c35-28(23-37-29-11-5-2-6-12-29)21-32-19-18-24-14-16-26(17-15-24)33-30(36)20-27-10-7-13-31(34-27)38-22-25-8-3-1-4-9-25/h1-17,28,32,35H,18-23H2,(H,33,36)/t28-/m0/s1
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n/an/an/an/a 2.50E+3n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50259255
PNG
((S)-4'-{2-[(2-Hydroxy-3-phenoxypropyl)amino]ethyl}...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2nccn2Cc2ccccc2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C29H32N4O3/c34-26(22-36-27-9-5-2-6-10-27)20-30-16-15-23-11-13-25(14-12-23)32-29(35)19-28-31-17-18-33(28)21-24-7-3-1-4-8-24/h1-14,17-18,26,30,34H,15-16,19-22H2,(H,32,35)/t26-/m0/s1
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n/an/an/an/a 180n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50259166
PNG
((S)-4'-(2-{[2-Hydroxy-3-(2-benzimidazolon-4-yloxy)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2ccccn2)cc1)COc1cccnc1 |r|
Show InChI InChI=1S/C23H26N4O3/c28-21(17-30-22-5-3-11-24-16-22)15-25-13-10-18-6-8-19(9-7-18)27-23(29)14-20-4-1-2-12-26-20/h1-9,11-12,16,21,25,28H,10,13-15,17H2,(H,27,29)/t21-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50259165
PNG
((S)-4'-(2-{[2-Hydroxy-3-phenoxypropyl]amino}ethyl)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2ccccn2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C24H27N3O3/c28-22(18-30-23-7-2-1-3-8-23)17-25-15-13-19-9-11-20(12-10-19)27-24(29)16-21-6-4-5-14-26-21/h1-12,14,22,25,28H,13,15-18H2,(H,27,29)/t22-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50259253
PNG
((S)-4'-{2-[(2-Hydroxy-3-phenoxypropyl)amino]ethyl}...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2ncc[nH]2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C22H26N4O3/c27-19(16-29-20-4-2-1-3-5-20)15-23-11-10-17-6-8-18(9-7-17)26-22(28)14-21-24-12-13-25-21/h1-9,12-13,19,23,27H,10-11,14-16H2,(H,24,25)(H,26,28)/t19-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50259469
PNG
((S)-N-Propyl-4'-{2-[(2-hydroxy-3-phenoxypropyl)-am...)
Show SMILES CCCN(C(=O)Cc1nccn1Cc1ccccc1)c1ccc(CCNC[C@H](O)COc2ccccc2)cc1 |r|
Show InChI InChI=1S/C32H38N4O3/c1-2-20-36(32(38)22-31-34-19-21-35(31)24-27-9-5-3-6-10-27)28-15-13-26(14-16-28)17-18-33-23-29(37)25-39-30-11-7-4-8-12-30/h3-16,19,21,29,33,37H,2,17-18,20,22-25H2,1H3/t29-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
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 12n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50259166
PNG
((S)-4'-(2-{[2-Hydroxy-3-(2-benzimidazolon-4-yloxy)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2ccccn2)cc1)COc1cccnc1 |r|
Show InChI InChI=1S/C23H26N4O3/c28-21(17-30-22-5-3-11-24-16-22)15-25-13-10-18-6-8-19(9-7-18)27-23(29)14-20-4-1-2-12-26-20/h1-9,11-12,16,21,25,28H,10,13-15,17H2,(H,27,29)/t21-/m0/s1
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n/an/an/an/a 180n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50259205
PNG
((S)-4'-(2-{[2-Hydroxy-3-(carbazol-4-yloxy)propyl]-...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2ccccn2)cc1)COc1cccc2[nH]c3ccccc3c12 |r|
Show InChI InChI=1S/C30H30N4O3/c35-24(20-37-28-10-5-9-27-30(28)25-7-1-2-8-26(25)34-27)19-31-17-15-21-11-13-22(14-12-21)33-29(36)18-23-6-3-4-16-32-23/h1-14,16,24,31,34-35H,15,17-20H2,(H,33,36)/t24-/m0/s1
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n/an/an/an/a 250n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50259364
PNG
((S)-4'-{2-[(2-Hydroxy-3-phenoxypropyl)amino]ethyl}...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2nccn2Cc2ccc(Br)cc2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C29H31BrN4O3/c30-24-10-6-23(7-11-24)20-34-17-16-32-28(34)18-29(36)33-25-12-8-22(9-13-25)14-15-31-19-26(35)21-37-27-4-2-1-3-5-27/h1-13,16-17,26,31,35H,14-15,18-21H2,(H,33,36)/t26-/m0/s1
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n/an/an/an/a 190n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50259469
PNG
((S)-N-Propyl-4'-{2-[(2-hydroxy-3-phenoxypropyl)-am...)
Show SMILES CCCN(C(=O)Cc1nccn1Cc1ccccc1)c1ccc(CCNC[C@H](O)COc2ccccc2)cc1 |r|
Show InChI InChI=1S/C32H38N4O3/c1-2-20-36(32(38)22-31-34-19-21-35(31)24-27-9-5-3-6-10-27)28-15-13-26(14-16-28)17-18-33-23-29(37)25-39-30-11-7-4-8-12-30/h3-16,19,21,29,33,37H,2,17-18,20,22-25H2,1H3/t29-/m0/s1
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Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50259522
PNG
((S)-1-[(2-{1-[(1-Benzylimidazol-2-yl)acetyl]-1,2,3...)
Show SMILES O[C@@H](CNCCc1ccc2N(CCCc2c1)C(=O)Cc1nccn1Cc1ccccc1)COc1ccccc1 |r|
Show InChI InChI=1S/C32H36N4O3/c37-28(24-39-29-11-5-2-6-12-29)22-33-16-15-25-13-14-30-27(20-25)10-7-18-36(30)32(38)21-31-34-17-19-35(31)23-26-8-3-1-4-9-26/h1-6,8-9,11-14,17,19-20,28,33,37H,7,10,15-16,18,21-24H2/t28-/m0/s1
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n/an/an/an/a 170n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50259164
PNG
((S)-4'-(2-{[2-Hydroxy-3-(4-methylsulfonamidophenox...)
Show SMILES CS(=O)(=O)Nc1ccc(OC[C@@H](O)CNCCc2ccc(NC(=O)Cc3ccccn3)cc2)cc1 |r|
Show InChI InChI=1S/C25H30N4O5S/c1-35(32,33)29-21-9-11-24(12-10-21)34-18-23(30)17-26-15-13-19-5-7-20(8-6-19)28-25(31)16-22-4-2-3-14-27-22/h2-12,14,23,26,29-30H,13,15-18H2,1H3,(H,28,31)/t23-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50259167
PNG
((S)-4'-(2-{[2-Hydroxy-3-(indol-4-yloxy)propyl]amin...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2ccccn2)cc1)COc1cccc2[nH]c(=O)[nH]c12 |r|
Show InChI InChI=1S/C25H27N5O4/c31-20(16-34-22-6-3-5-21-24(22)30-25(33)29-21)15-26-13-11-17-7-9-18(10-8-17)28-23(32)14-19-4-1-2-12-27-19/h1-10,12,20,26,31H,11,13-16H2,(H,28,32)(H2,29,30,33)/t20-/m0/s1
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Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50259208
PNG
((S)-4'-{2-[(2-Hydroxy-3-phenoxypropyl)amino]ethyl}...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2cccc(Cl)n2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C24H26ClN3O3/c25-23-8-4-5-20(27-23)15-24(30)28-19-11-9-18(10-12-19)13-14-26-16-21(29)17-31-22-6-2-1-3-7-22/h1-12,21,26,29H,13-17H2,(H,28,30)/t21-/m0/s1
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n/an/an/an/a 55n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50259364
PNG
((S)-4'-{2-[(2-Hydroxy-3-phenoxypropyl)amino]ethyl}...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2nccn2Cc2ccc(Br)cc2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C29H31BrN4O3/c30-24-10-6-23(7-11-24)20-34-17-16-32-28(34)18-29(36)33-25-12-8-22(9-13-25)14-15-31-19-26(35)21-37-27-4-2-1-3-5-27/h1-13,16-17,26,31,35H,14-15,18-21H2,(H,33,36)/t26-/m0/s1
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Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50259469
PNG
((S)-N-Propyl-4'-{2-[(2-hydroxy-3-phenoxypropyl)-am...)
Show SMILES CCCN(C(=O)Cc1nccn1Cc1ccccc1)c1ccc(CCNC[C@H](O)COc2ccccc2)cc1 |r|
Show InChI InChI=1S/C32H38N4O3/c1-2-20-36(32(38)22-31-34-19-21-35(31)24-27-9-5-3-6-10-27)28-15-13-26(14-16-28)17-18-33-23-29(37)25-39-30-11-7-4-8-12-30/h3-16,19,21,29,33,37H,2,17-18,20,22-25H2,1H3/t29-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50259321
PNG
((S)-4'-{2-[(2-Hydroxy-3-phenoxypropyl)amino]ethyl}...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2cn(Cc3ccccc3)cn2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C29H32N4O3/c34-27(21-36-28-9-5-2-6-10-28)18-30-16-15-23-11-13-25(14-12-23)32-29(35)17-26-20-33(22-31-26)19-24-7-3-1-4-8-24/h1-14,20,22,27,30,34H,15-19,21H2,(H,32,35)/t27-/m0/s1
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n/an/an/an/a 130n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50259365
PNG
((S)-4'-{2-[(2-Hydroxy-3-phenoxypropyl)amino]ethyl}...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2nccn2Cc2ccc3ccccc3c2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C33H34N4O3/c38-30(24-40-31-8-2-1-3-9-31)22-34-17-16-25-11-14-29(15-12-25)36-33(39)21-32-35-18-19-37(32)23-26-10-13-27-6-4-5-7-28(27)20-26/h1-15,18-20,30,34,38H,16-17,21-24H2,(H,36,39)/t30-/m0/s1
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n/an/an/an/a 260n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50259366
PNG
((S)-4'-{2-[(2-Hydroxy-3-phenoxypropyl)amino]propyl...)
Show SMILES CC(Cc1ccc(NC(=O)Cc2nccn2Cc2ccccc2)cc1)NC[C@H](O)COc1ccccc1 |r|
Show InChI InChI=1S/C30H34N4O3/c1-23(32-20-27(35)22-37-28-10-6-3-7-11-28)18-24-12-14-26(15-13-24)33-30(36)19-29-31-16-17-34(29)21-25-8-4-2-5-9-25/h2-17,23,27,32,35H,18-22H2,1H3,(H,33,36)/t23?,27-/m0/s1
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n/an/an/an/a 62n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50259167
PNG
((S)-4'-(2-{[2-Hydroxy-3-(indol-4-yloxy)propyl]amin...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2ccccn2)cc1)COc1cccc2[nH]c(=O)[nH]c12 |r|
Show InChI InChI=1S/C25H27N5O4/c31-20(16-34-22-6-3-5-21-24(22)30-25(33)29-21)15-26-13-11-17-7-9-18(10-8-17)28-23(32)14-19-4-1-2-12-27-19/h1-10,12,20,26,31H,11,13-16H2,(H,28,32)(H2,29,30,33)/t20-/m0/s1
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Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM25392
PNG
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
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n/an/an/an/a 3n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50259365
PNG
((S)-4'-{2-[(2-Hydroxy-3-phenoxypropyl)amino]ethyl}...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2nccn2Cc2ccc3ccccc3c2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C33H34N4O3/c38-30(24-40-31-8-2-1-3-9-31)22-34-17-16-25-11-14-29(15-12-25)36-33(39)21-32-35-18-19-37(32)23-26-10-13-27-6-4-5-7-28(27)20-26/h1-15,18-20,30,34,38H,16-17,21-24H2,(H,36,39)/t30-/m0/s1
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Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50259125
PNG
((S)-4'-(2-{[2-Hydroxy-3-(4-hydroxyphenoxy)propyl]a...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2ccccn2)cc1)COc1ccc(O)cc1 |r|
Show InChI InChI=1S/C24H27N3O4/c28-21-8-10-23(11-9-21)31-17-22(29)16-25-14-12-18-4-6-19(7-5-18)27-24(30)15-20-3-1-2-13-26-20/h1-11,13,22,25,28-29H,12,14-17H2,(H,27,30)/t22-/m0/s1
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Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50259252
PNG
((S)-4'-{2-[(2-Hydroxy-3-phenoxypropyl)amino]ethyl}...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2cccc(OCc3ccccc3)n2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C31H33N3O4/c35-28(23-37-29-11-5-2-6-12-29)21-32-19-18-24-14-16-26(17-15-24)33-30(36)20-27-10-7-13-31(34-27)38-22-25-8-3-1-4-9-25/h1-17,28,32,35H,18-23H2,(H,33,36)/t28-/m0/s1
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n/an/an/an/a 200n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50259322
PNG
((S)-4'-{2-[(2-Hydroxy-3-phenoxypropyl)amino]ethyl}...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2nccn2Cc2ccc(Cl)cc2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C29H31ClN4O3/c30-24-10-6-23(7-11-24)20-34-17-16-32-28(34)18-29(36)33-25-12-8-22(9-13-25)14-15-31-19-26(35)21-37-27-4-2-1-3-5-27/h1-13,16-17,26,31,35H,14-15,18-21H2,(H,33,36)/t26-/m0/s1
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n/an/an/an/a 74n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50259206
PNG
((S)-4'-(2-{[2-Hydroxy-3-phenoxypropyl]amino}ethyl)...)
Show SMILES Cc1cccnc1CC(=O)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 |r|
Show InChI InChI=1S/C25H29N3O3/c1-19-6-5-14-27-24(19)16-25(30)28-21-11-9-20(10-12-21)13-15-26-17-22(29)18-31-23-7-3-2-4-8-23/h2-12,14,22,26,29H,13,15-18H2,1H3,(H,28,30)/t22-/m0/s1
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n/an/an/an/a 330n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50259322
PNG
((S)-4'-{2-[(2-Hydroxy-3-phenoxypropyl)amino]ethyl}...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2nccn2Cc2ccc(Cl)cc2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C29H31ClN4O3/c30-24-10-6-23(7-11-24)20-34-17-16-32-28(34)18-29(36)33-25-12-8-22(9-13-25)14-15-31-19-26(35)21-37-27-4-2-1-3-5-27/h1-13,16-17,26,31,35H,14-15,18-21H2,(H,33,36)/t26-/m0/s1
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n/an/an/an/a 270n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50259468
PNG
((S)-N-Methyl-4'-{2-[(2-hydroxy-3-phenoxypropyl)-am...)
Show SMILES CN(C(=O)Cc1nccn1Cc1ccccc1)c1ccc(CCNC[C@H](O)COc2ccccc2)cc1 |r|
Show InChI InChI=1S/C30H34N4O3/c1-33(30(36)20-29-32-18-19-34(29)22-25-8-4-2-5-9-25)26-14-12-24(13-15-26)16-17-31-21-27(35)23-37-28-10-6-3-7-11-28/h2-15,18-19,27,31,35H,16-17,20-23H2,1H3/t27-/m0/s1
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Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50259254
PNG
((S)-4'-{2-[(2-Hydroxy-3-phenoxypropyl)amino]ethyl}...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2nccn2-c2ccccc2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C28H30N4O3/c33-25(21-35-26-9-5-2-6-10-26)20-29-16-15-22-11-13-23(14-12-22)31-28(34)19-27-30-17-18-32(27)24-7-3-1-4-8-24/h1-14,17-18,25,29,33H,15-16,19-21H2,(H,31,34)/t25-/m0/s1
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Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50259165
PNG
((S)-4'-(2-{[2-Hydroxy-3-phenoxypropyl]amino}ethyl)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2ccccn2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C24H27N3O3/c28-22(18-30-23-7-2-1-3-8-23)17-25-15-13-19-9-11-20(12-10-19)27-24(29)16-21-6-4-5-14-26-21/h1-12,14,22,25,28H,13,15-18H2,(H,27,29)/t22-/m0/s1
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Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50259522
PNG
((S)-1-[(2-{1-[(1-Benzylimidazol-2-yl)acetyl]-1,2,3...)
Show SMILES O[C@@H](CNCCc1ccc2N(CCCc2c1)C(=O)Cc1nccn1Cc1ccccc1)COc1ccccc1 |r|
Show InChI InChI=1S/C32H36N4O3/c37-28(24-39-29-11-5-2-6-12-29)22-33-16-15-25-13-14-30-27(20-25)10-7-18-36(30)32(38)21-31-34-17-19-35(31)23-26-8-3-1-4-9-26/h1-6,8-9,11-14,17,19-20,28,33,37H,7,10,15-16,18,21-24H2/t28-/m0/s1
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n/an/an/an/a 120n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50259164
PNG
((S)-4'-(2-{[2-Hydroxy-3-(4-methylsulfonamidophenox...)
Show SMILES CS(=O)(=O)Nc1ccc(OC[C@@H](O)CNCCc2ccc(NC(=O)Cc3ccccn3)cc2)cc1 |r|
Show InChI InChI=1S/C25H30N4O5S/c1-35(32,33)29-21-9-11-24(12-10-21)34-18-23(30)17-26-15-13-19-5-7-20(8-6-19)28-25(31)16-22-4-2-3-14-27-22/h2-12,14,23,26,29-30H,13,15-18H2,1H3,(H,28,31)/t23-/m0/s1
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Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50259124
PNG
((S)-4'-(2-{[2-Hydroxy-3-(carbazol-4-yloxy)propyl]-...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2ccccn2)cc1)COc1cccc2[nH]ccc12 |r|
Show InChI InChI=1S/C26H28N4O3/c31-22(18-33-25-6-3-5-24-23(25)12-15-29-24)17-27-14-11-19-7-9-20(10-8-19)30-26(32)16-21-4-1-2-13-28-21/h1-10,12-13,15,22,27,29,31H,11,14,16-18H2,(H,30,32)/t22-/m0/s1
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n/an/an/an/a 1.30E+3n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50259208
PNG
((S)-4'-{2-[(2-Hydroxy-3-phenoxypropyl)amino]ethyl}...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2cccc(Cl)n2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C24H26ClN3O3/c25-23-8-4-5-20(27-23)15-24(30)28-19-11-9-18(10-12-19)13-14-26-16-21(29)17-31-22-6-2-1-3-7-22/h1-12,21,26,29H,13-17H2,(H,28,30)/t21-/m0/s1
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n/an/an/an/a 43n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50259254
PNG
((S)-4'-{2-[(2-Hydroxy-3-phenoxypropyl)amino]ethyl}...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2nccn2-c2ccccc2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C28H30N4O3/c33-25(21-35-26-9-5-2-6-10-26)20-29-16-15-22-11-13-23(14-12-22)31-28(34)19-27-30-17-18-32(27)24-7-3-1-4-8-24/h1-14,17-18,25,29,33H,15-16,19-21H2,(H,31,34)/t25-/m0/s1
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n/an/an/an/a 650n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50259468
PNG
((S)-N-Methyl-4'-{2-[(2-hydroxy-3-phenoxypropyl)-am...)
Show SMILES CN(C(=O)Cc1nccn1Cc1ccccc1)c1ccc(CCNC[C@H](O)COc2ccccc2)cc1 |r|
Show InChI InChI=1S/C30H34N4O3/c1-33(30(36)20-29-32-18-19-34(29)22-25-8-4-2-5-9-25)26-14-12-24(13-15-26)16-17-31-21-27(35)23-37-28-10-6-3-7-11-28/h2-15,18-19,27,31,35H,16-17,20-23H2,1H3/t27-/m0/s1
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n/an/an/an/a 280n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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

Bioorg Med Chem 17: 3283-94 (2009)


Article DOI: 10.1016/j.bmc.2009.03.044
BindingDB Entry DOI: 10.7270/Q2PG1RM6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%