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Compile Data Set for Download or QSAR

Found 4303 hits Enz. Inhib. hit(s) with Target = 'Beta-2 adrenergic receptor and beta-3 adrenergic receptor'   
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))
BDBM50070134
PNG
(4-{(R)-2-Hydroxy-3-[(S)-3-(4-methoxy-phenyl)-1-met...)
Show SMILES COc1ccc(CC[C@H](C)NC[C@@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C20H27NO4/c1-15(3-4-16-5-9-19(24-2)10-6-16)21-13-18(23)14-25-20-11-7-17(22)8-12-20/h5-12,15,18,21-23H,3-4,13-14H2,1-2H3/t15-,18+/m0/s1
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n/an/an/an/a 0n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for agonist activity against cloned human beta-1 adrenergic receptor


Bioorg Med Chem Lett 8: 1101-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00169-3
BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50126069
PNG
((3-{2-[(R)-2-((R)-3-Chloro-phenyl)-2-hydroxy-ethyl...)
Show SMILES C[C@H](Cc1c[nH]c2c(OCC(O)=O)cccc12)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C21H23ClN2O4/c1-13(23-11-18(25)14-4-2-5-16(22)9-14)8-15-10-24-21-17(15)6-3-7-19(21)28-12-20(26)27/h2-7,9-10,13,18,23-25H,8,11-12H2,1H3,(H,26,27)/t13-,18+/m1/s1
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n/an/an/an/a 0.0160n/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonism of recombinant human beta-3 adrenergic receptor assayed by measuring cAMP accumulation in CHO cells expressing beta3-AR


Bioorg Med Chem Lett 13: 1301-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00073-8
BindingDB Entry DOI: 10.7270/Q25B01TS
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50223428
PNG
(CHEMBL236039 | N-(2-methoxybenzyl)-5-((R)-2-((R)-2...)
Show SMILES COc1ccccc1CNC(=O)c1cc2cc(C[C@@H](C)NC[C@H](O)c3ccc(O)c(CO)c3)ccc2[nH]1
Show InChI InChI=1S/C29H33N3O5/c1-18(30-16-27(35)20-8-10-26(34)23(13-20)17-33)11-19-7-9-24-22(12-19)14-25(32-24)29(36)31-15-21-5-3-4-6-28(21)37-2/h3-10,12-14,18,27,30,32-35H,11,15-17H2,1-2H3,(H,31,36)/t18-,27+/m1/s1
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n/an/an/an/a 0.0200n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-2 receptor expressed in CHO cells assessed as elevation in cAMP levels


Bioorg Med Chem Lett 17: 6188-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.031
BindingDB Entry DOI: 10.7270/Q2222VM3
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50326555
PNG
((R)-N-benzyl-2-(3-(2-(2-hydroxy-2-(4-hydroxy-3-(me...)
Show SMILES CC(C)(Cc1cccc(CC(=O)NCc2ccccc2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C28H35N3O5S/c1-28(2,30-19-26(33)23-12-13-25(32)24(16-23)31-37(3,35)36)17-22-11-7-10-21(14-22)15-27(34)29-18-20-8-5-4-6-9-20/h4-14,16,26,30-33H,15,17-19H2,1-3H3,(H,29,34)/t26-/m0/s1
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n/an/an/an/a 0.0200n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as elevation in cAMP level after 1 hr by flashplate m...


J Med Chem 53: 6640-52 (2010)


Article DOI: 10.1021/jm1005989
BindingDB Entry DOI: 10.7270/Q2X0678R
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50326544
PNG
((R)-N-(2-chloro-4-hydroxybenzyl)-2-(3-(2-(2-hydrox...)
Show SMILES CC(C)(Cc1cccc(CC(=O)NCc2ccc(O)cc2Cl)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C28H34ClN3O6S/c1-28(2,31-17-26(35)20-8-10-25(34)24(13-20)32-39(3,37)38)15-19-6-4-5-18(11-19)12-27(36)30-16-21-7-9-22(33)14-23(21)29/h4-11,13-14,26,31-35H,12,15-17H2,1-3H3,(H,30,36)/t26-/m0/s1
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n/an/an/an/a 0.0200n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as elevation in cAMP level after 1 hr by flashplate m...


J Med Chem 53: 6640-52 (2010)


Article DOI: 10.1021/jm1005989
BindingDB Entry DOI: 10.7270/Q2X0678R
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50326547
PNG
(CHEMBL230490 | N-(3,4-dichlorobenzyl)-2-(3-((R)-2-...)
Show SMILES C[C@H](Cc1cccc(CC(=O)NCc2ccc(Cl)c(Cl)c2)c1)NC[C@H](O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C27H30Cl2N2O4/c1-17(30-15-26(34)21-6-8-25(33)22(13-21)16-32)9-18-3-2-4-19(10-18)12-27(35)31-14-20-5-7-23(28)24(29)11-20/h2-8,10-11,13,17,26,30,32-34H,9,12,14-16H2,1H3,(H,31,35)/t17-,26+/m1/s1
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n/an/an/an/a 0.0200n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as elevation in cAMP level after 1 hr by flashplate m...


J Med Chem 53: 6640-52 (2010)


Article DOI: 10.1021/jm1005989
BindingDB Entry DOI: 10.7270/Q2X0678R
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50328301
PNG
(4-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-...)
Show SMILES OCc1cc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)ccc1O
Show InChI InChI=1S/C27H30N4O4S/c32-14-19-12-22(6-7-24(19)34)35-15-21(33)13-28-20-8-10-31(11-9-20)26-25-23(18-4-2-1-3-5-18)16-36-27(25)30-17-29-26/h1-7,12,16-17,20-21,28,32-34H,8-11,13-15H2
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n/an/an/an/a 0.0200n/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]-cyanopindolol from human adrenergic beta3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 6108-15 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.039
BindingDB Entry DOI: 10.7270/Q2WM1DNR
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50212728
PNG
((R)-N-benzyl-2-(3-(2-(2-hydroxy-2-(4-hydroxy-3-(hy...)
Show SMILES CC(C)(Cc1cccc(CC(=O)NCc2ccccc2)c1)NC[C@H](O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C28H34N2O4/c1-28(2,30-18-26(33)23-11-12-25(32)24(15-23)19-31)16-22-10-6-9-21(13-22)14-27(34)29-17-20-7-4-3-5-8-20/h3-13,15,26,30-33H,14,16-19H2,1-2H3,(H,29,34)/t26-/m0/s1
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n/an/an/an/a 0.0200n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta-2 adrenoceptor expressed in CHO cells assessed as elevation of cAMP


Bioorg Med Chem Lett 17: 4012-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.081
BindingDB Entry DOI: 10.7270/Q2M909G9
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50223433
PNG
(CHEMBL236041 | N-benzyl-5-((R)-2-((R)-2-hydroxy-2-...)
Show SMILES C[C@H](Cc1ccc2[nH]c(cc2c1)C(=O)N(C)Cc1ccccc1)NC[C@H](O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C29H33N3O4/c1-19(30-16-28(35)22-9-11-27(34)24(14-22)18-33)12-21-8-10-25-23(13-21)15-26(31-25)29(36)32(2)17-20-6-4-3-5-7-20/h3-11,13-15,19,28,30-31,33-35H,12,16-18H2,1-2H3/t19-,28+/m1/s1
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n/an/an/an/a 0.0220n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-2 receptor expressed in CHO cells assessed as elevation in cAMP levels


Bioorg Med Chem Lett 17: 6188-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.031
BindingDB Entry DOI: 10.7270/Q2222VM3
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50249662
PNG
(4'-(2-{[(2R)-2-(6-Aminopyridin-3-yl)-2-hydroxyethy...)
Show SMILES CS(=O)(=O)NC(=O)c1ccc(cc1OC1CCCCC1)-c1ccc(CCNC[C@H](O)c2cnccc2N)cc1
Show InChI InChI=1S/C29H36N4O5S/c1-39(36,37)33-29(35)24-12-11-22(17-28(24)38-23-5-3-2-4-6-23)21-9-7-20(8-10-21)13-15-32-19-27(34)25-18-31-16-14-26(25)30/h7-12,14,16-18,23,27,32,34H,2-6,13,15,19H2,1H3,(H2,30,31)(H,33,35)/t27-/m0/s1
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n/an/an/an/a 0.0290n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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


J Med Chem 52: 3063-72 (2009)


Article DOI: 10.1021/jm9000709
BindingDB Entry DOI: 10.7270/Q2S75G6J
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50249662
PNG
(4'-(2-{[(2R)-2-(6-Aminopyridin-3-yl)-2-hydroxyethy...)
Show SMILES CS(=O)(=O)NC(=O)c1ccc(cc1OC1CCCCC1)-c1ccc(CCNC[C@H](O)c2cnccc2N)cc1
Show InChI InChI=1S/C29H36N4O5S/c1-39(36,37)33-29(35)24-12-11-22(17-28(24)38-23-5-3-2-4-6-23)21-9-7-20(8-10-21)13-15-32-19-27(34)25-18-31-16-14-26(25)30/h7-12,14,16-18,23,27,32,34H,2-6,13,15,19H2,1H3,(H2,30,31)(H,33,35)/t27-/m0/s1
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n/an/an/an/a 0.0290n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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


J Med Chem 52: 3063-72 (2009)


Article DOI: 10.1021/jm9000709
BindingDB Entry DOI: 10.7270/Q2S75G6J
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50326548
PNG
(CHEMBL1243348 | N-(cyclohexylmethyl)-2-(3-((R)-2-(...)
Show SMILES C[C@H](Cc1cccc(CC(=O)NCC2CCCCC2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C27H39N3O5S/c1-19(28-18-26(32)23-11-12-25(31)24(16-23)30-36(2,34)35)13-21-9-6-10-22(14-21)15-27(33)29-17-20-7-4-3-5-8-20/h6,9-12,14,16,19-20,26,28,30-32H,3-5,7-8,13,15,17-18H2,1-2H3,(H,29,33)/t19-,26+/m1/s1
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n/an/an/an/a 0.0300n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as elevation in cAMP level after 1 hr by flashplate m...


J Med Chem 53: 6640-52 (2010)


Article DOI: 10.1021/jm1005989
BindingDB Entry DOI: 10.7270/Q2X0678R
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50326556
PNG
(CHEMBL1243158 | N-benzyl-2-(3-((R)-2-((R)-2-hydrox...)
Show SMILES C[C@H](Cc1cccc(CC(=O)NCc2ccccc2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C27H33N3O5S/c1-19(28-18-26(32)23-11-12-25(31)24(16-23)30-36(2,34)35)13-21-9-6-10-22(14-21)15-27(33)29-17-20-7-4-3-5-8-20/h3-12,14,16,19,26,28,30-32H,13,15,17-18H2,1-2H3,(H,29,33)/t19-,26+/m1/s1
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n/an/an/an/a 0.0300n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as elevation in cAMP level after 1 hr by flashplate m...


J Med Chem 53: 6640-52 (2010)


Article DOI: 10.1021/jm1005989
BindingDB Entry DOI: 10.7270/Q2X0678R
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50223441
PNG
(5-{(R)-2-[(R)-2-hydroxy-2-(4-hydroxy-3-hydroxymeth...)
Show SMILES C[C@H](Cc1ccc2[nH]c(cc2c1)C(=O)NCc1nccs1)NC[C@H](O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C25H28N4O4S/c1-15(27-12-23(32)17-3-5-22(31)19(10-17)14-30)8-16-2-4-20-18(9-16)11-21(29-20)25(33)28-13-24-26-6-7-34-24/h2-7,9-11,15,23,27,29-32H,8,12-14H2,1H3,(H,28,33)/t15-,23+/m1/s1
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n/an/an/an/a 0.0310n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-2 receptor expressed in CHO cells assessed as elevation in cAMP levels


Bioorg Med Chem Lett 17: 6188-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.031
BindingDB Entry DOI: 10.7270/Q2222VM3
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50324854
PNG
(7-((R)-2-((1R,2R)-2-(benzyloxy)cyclopentylamino)-1...)
Show SMILES O[C@@H](CN[C@@H]1CCC[C@H]1OCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C21H24N2O4S/c24-16-10-9-14(20-19(16)23-21(26)28-20)17(25)11-22-15-7-4-8-18(15)27-12-13-5-2-1-3-6-13/h1-3,5-6,9-10,15,17-18,22,24-25H,4,7-8,11-12H2,(H,23,26)/t15-,17+,18-/m1/s1
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n/an/an/an/a 0.0316n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at beta 2 in human A431 cells adrenoceptor assessed as cAMP accumulation


Bioorg Med Chem Lett 20: 5302-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.136
BindingDB Entry DOI: 10.7270/Q2HD7VVM
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50277527
PNG
((R)-4'-(2-(2-(4-aminopyridin-3-yl)-2-hydroxyethyla...)
Show SMILES Nc1ccncc1[C@@H](O)CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1
Show InChI InChI=1S/C28H33N3O4/c29-25-13-15-30-17-24(25)26(32)18-31-14-12-19-6-8-20(9-7-19)21-10-11-23(28(33)34)27(16-21)35-22-4-2-1-3-5-22/h6-11,13,15-17,22,26,31-32H,1-5,12,14,18H2,(H2,29,30)(H,33,34)/t26-/m0/s1
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n/an/an/an/a 0.0350n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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


J Med Chem 52: 3063-72 (2009)


Article DOI: 10.1021/jm9000709
BindingDB Entry DOI: 10.7270/Q2S75G6J
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50243167
PNG
(4-(2-{[(2R)-2-(6-Amino-3-pyridinyl)-2-hydroxyethyl...)
Show SMILES Nc1ccc(cn1)[C@@H](O)CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1
Show InChI InChI=1S/C28H33N3O4/c29-27-13-11-22(17-31-27)25(32)18-30-15-14-19-6-8-20(9-7-19)21-10-12-24(28(33)34)26(16-21)35-23-4-2-1-3-5-23/h6-13,16-17,23,25,30,32H,1-5,14-15,18H2,(H2,29,31)(H,33,34)/t25-/m0/s1
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n/an/an/an/a 0.0350n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50223435
PNG
(5-((R)-2-((R)-2-hydroxy-2-(4-hydroxy-3-(hydroxymet...)
Show SMILES C[C@H](Cc1ccc2[nH]c(cc2c1)C(=O)NCc1ccccn1)NC[C@H](O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C27H30N4O4/c1-17(29-15-26(34)19-6-8-25(33)21(12-19)16-32)10-18-5-7-23-20(11-18)13-24(31-23)27(35)30-14-22-4-2-3-9-28-22/h2-9,11-13,17,26,29,31-34H,10,14-16H2,1H3,(H,30,35)/t17-,26+/m1/s1
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n/an/an/an/a 0.0380n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-2 receptor expressed in CHO cells assessed as elevation in cAMP levels


Bioorg Med Chem Lett 17: 6188-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.031
BindingDB Entry DOI: 10.7270/Q2222VM3
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50223440
PNG
(CHEMBL236040 | N-(2-(methylthio)benzyl)-5-((R)-2-(...)
Show SMILES CSc1ccccc1CNC(=O)c1cc2cc(C[C@@H](C)NC[C@H](O)c3ccc(O)c(CO)c3)ccc2[nH]1
Show InChI InChI=1S/C29H33N3O4S/c1-18(30-16-27(35)20-8-10-26(34)23(13-20)17-33)11-19-7-9-24-22(12-19)14-25(32-24)29(36)31-15-21-5-3-4-6-28(21)37-2/h3-10,12-14,18,27,30,32-35H,11,15-17H2,1-2H3,(H,31,36)/t18-,27+/m1/s1
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n/an/an/an/a 0.0380n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-2 receptor expressed in CHO cells assessed as elevation in cAMP levels


Bioorg Med Chem Lett 17: 6188-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.031
BindingDB Entry DOI: 10.7270/Q2222VM3
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50326554
PNG
(2-(3-((R)-2-((R)-2-hydroxy-2-(4-hydroxy-3-(methyls...)
Show SMILES C[C@H](Cc1cccc(CC(=O)NCCc2ccccc2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C28H35N3O5S/c1-20(30-19-27(33)24-11-12-26(32)25(18-24)31-37(2,35)36)15-22-9-6-10-23(16-22)17-28(34)29-14-13-21-7-4-3-5-8-21/h3-12,16,18,20,27,30-33H,13-15,17,19H2,1-2H3,(H,29,34)/t20-,27+/m1/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as elevation in cAMP level after 1 hr by flashplate m...


J Med Chem 53: 6640-52 (2010)


Article DOI: 10.1021/jm1005989
BindingDB Entry DOI: 10.7270/Q2X0678R
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50326552
PNG
(2-(3-((R)-2-((R)-2-hydroxy-2-(4-hydroxy-3-(methyls...)
Show SMILES COc1ccccc1CNC(=O)Cc1cccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c1
Show InChI InChI=1S/C28H35N3O6S/c1-19(29-18-26(33)22-11-12-25(32)24(16-22)31-38(3,35)36)13-20-7-6-8-21(14-20)15-28(34)30-17-23-9-4-5-10-27(23)37-2/h4-12,14,16,19,26,29,31-33H,13,15,17-18H2,1-3H3,(H,30,34)/t19-,26+/m1/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as elevation in cAMP level after 1 hr by flashplate m...


J Med Chem 53: 6640-52 (2010)


Article DOI: 10.1021/jm1005989
BindingDB Entry DOI: 10.7270/Q2X0678R
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50326553
PNG
(2-(3-((R)-2-((R)-2-hydroxy-2-(4-hydroxy-3-(methyls...)
Show SMILES C[C@H](Cc1cccc(CC(=O)NCCCc2ccccc2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C29H37N3O5S/c1-21(31-20-28(34)25-13-14-27(33)26(19-25)32-38(2,36)37)16-23-10-6-11-24(17-23)18-29(35)30-15-7-12-22-8-4-3-5-9-22/h3-6,8-11,13-14,17,19,21,28,31-34H,7,12,15-16,18,20H2,1-2H3,(H,30,35)/t21-,28+/m1/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as elevation in cAMP level after 1 hr by flashplate m...


J Med Chem 53: 6640-52 (2010)


Article DOI: 10.1021/jm1005989
BindingDB Entry DOI: 10.7270/Q2X0678R
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50328300
PNG
(4-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-...)
Show SMILES COCc1cc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)ccc1O
Show InChI InChI=1S/C28H32N4O4S/c1-35-15-20-13-23(7-8-25(20)34)36-16-22(33)14-29-21-9-11-32(12-10-21)27-26-24(19-5-3-2-4-6-19)17-37-28(26)31-18-30-27/h2-8,13,17-18,21-22,29,33-34H,9-12,14-16H2,1H3
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n/an/an/an/a 0.0400n/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]-cyanopindolol from human adrenergic beta3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 6108-15 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.039
BindingDB Entry DOI: 10.7270/Q2WM1DNR
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50243297
PNG
(4-((2R)-2-{[(2R)-2-Hydroxy-2-phenylethyl]amino}pro...)
Show SMILES CC(C)COc1cc(ccc1C(O)=O)-c1ccc(C[C@@H](C)NC[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C28H33NO4/c1-19(2)18-33-27-16-24(13-14-25(27)28(31)32)22-11-9-21(10-12-22)15-20(3)29-17-26(30)23-7-5-4-6-8-23/h4-14,16,19-20,26,29-30H,15,17-18H2,1-3H3,(H,31,32)/t20-,26+/m1/s1
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n/an/an/an/a 0.0410n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50243298
PNG
(4-((2R)-2-{[(2R)-2-Phenyl-2-hydroxyethyl]amino}pro...)
Show SMILES C[C@H](Cc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1)NC[C@H](O)c1ccccc1
Show InChI InChI=1S/C30H35NO4/c1-21(31-20-28(32)24-8-4-2-5-9-24)18-22-12-14-23(15-13-22)25-16-17-27(30(33)34)29(19-25)35-26-10-6-3-7-11-26/h2,4-5,8-9,12-17,19,21,26,28,31-32H,3,6-7,10-11,18,20H2,1H3,(H,33,34)/t21-,28+/m1/s1
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n/an/an/an/a 0.0420n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50296966
PNG
(4'-(2-((1R,2S)-1-hydroxy-1-(3-hydroxyphenyl)propan...)
Show SMILES CC(C)Oc1cc(ccc1C(=O)NS(C)(=O)=O)-c1ccc(CCN[C@@H](C)[C@H](O)c2cccc(O)c2)cc1
Show InChI InChI=1S/C28H34N2O6S/c1-18(2)36-26-17-22(12-13-25(26)28(33)30-37(4,34)35)21-10-8-20(9-11-21)14-15-29-19(3)27(32)23-6-5-7-24(31)16-23/h5-13,16-19,27,29,31-32H,14-15H2,1-4H3,(H,30,33)/t19-,27-/m0/s1
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n/an/an/an/a 0.0440n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta3 receptor expressed in CHO cells assessed as stimulation of cAMP level after 1 hr by enzyme imm...


Bioorg Med Chem Lett 19: 4679-83 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.083
BindingDB Entry DOI: 10.7270/Q2S183DR
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50223430
PNG
(CHEMBL391946 | N-benzyl-5-((R)-2-((R)-2-hydroxy-2-...)
Show SMILES C[C@H](Cc1ccc2[nH]c(cc2c1)C(=O)NCc1ccccc1)NC[C@H](O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C28H31N3O4/c1-18(29-16-27(34)21-8-10-26(33)23(13-21)17-32)11-20-7-9-24-22(12-20)14-25(31-24)28(35)30-15-19-5-3-2-4-6-19/h2-10,12-14,18,27,29,31-34H,11,15-17H2,1H3,(H,30,35)/t18-,27+/m1/s1
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n/an/an/an/a 0.0490n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-2 receptor expressed in CHO cells assessed as elevation in cAMP levels


Bioorg Med Chem Lett 17: 6188-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.031
BindingDB Entry DOI: 10.7270/Q2222VM3
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50326543
PNG
((R)-N-(4-hydroxy-2,6-dimethylbenzyl)-2-(3-(2-(2-hy...)
Show SMILES Cc1cc(O)cc(C)c1CNC(=O)Cc1cccc(CC(C)(C)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c1
Show InChI InChI=1S/C30H39N3O6S/c1-19-11-24(34)12-20(2)25(19)17-31-29(37)14-21-7-6-8-22(13-21)16-30(3,4)32-18-28(36)23-9-10-27(35)26(15-23)33-40(5,38)39/h6-13,15,28,32-36H,14,16-18H2,1-5H3,(H,31,37)/t28-/m0/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as elevation in cAMP level after 1 hr by flashplate m...


J Med Chem 53: 6640-52 (2010)


Article DOI: 10.1021/jm1005989
BindingDB Entry DOI: 10.7270/Q2X0678R
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50326545
PNG
(CHEMBL1243407 | MJ-9184-1,(+/-) | Zinterol)
Show SMILES CC(C)(Cc1ccccc1)NCC(O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C19H26N2O4S/c1-19(2,12-14-7-5-4-6-8-14)20-13-18(23)15-9-10-17(22)16(11-15)21-26(3,24)25/h4-11,18,20-23H,12-13H2,1-3H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as elevation in cAMP level after 1 hr by flashplate m...


J Med Chem 53: 6640-52 (2010)


Article DOI: 10.1021/jm1005989
BindingDB Entry DOI: 10.7270/Q2X0678R
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50326551
PNG
(CHEMBL1243285 | N-(2-ethoxybenzyl)-2-(3-((R)-2-((R...)
Show SMILES CCOc1ccccc1CNC(=O)Cc1cccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c1
Show InChI InChI=1S/C29H37N3O6S/c1-4-38-28-11-6-5-10-24(28)18-31-29(35)16-22-9-7-8-21(15-22)14-20(2)30-19-27(34)23-12-13-26(33)25(17-23)32-39(3,36)37/h5-13,15,17,20,27,30,32-34H,4,14,16,18-19H2,1-3H3,(H,31,35)/t20-,27+/m1/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as elevation in cAMP level after 1 hr by flashplate m...


J Med Chem 53: 6640-52 (2010)


Article DOI: 10.1021/jm1005989
BindingDB Entry DOI: 10.7270/Q2X0678R
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50223429
PNG
(CHEMBL236251 | N-(cyclobutylmethyl)-5-((R)-2-((R)-...)
Show SMILES C[C@H](Cc1ccc2[nH]c(cc2c1)C(=O)NCC1CCC1)NC[C@H](O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C26H33N3O4/c1-16(27-14-25(32)19-6-8-24(31)21(11-19)15-30)9-18-5-7-22-20(10-18)12-23(29-22)26(33)28-13-17-3-2-4-17/h5-8,10-12,16-17,25,27,29-32H,2-4,9,13-15H2,1H3,(H,28,33)/t16-,25+/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-2 receptor expressed in CHO cells assessed as elevation in cAMP levels


Bioorg Med Chem Lett 17: 6188-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.031
BindingDB Entry DOI: 10.7270/Q2222VM3
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50223432
PNG
(CHEMBL235612 | N-(2,6-difluorobenzyl)-5-((R)-2-((R...)
Show SMILES C[C@H](Cc1ccc2[nH]c(cc2c1)C(=O)NCc1c(F)cccc1F)NC[C@H](O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C28H29F2N3O4/c1-16(31-14-27(36)18-6-8-26(35)20(11-18)15-34)9-17-5-7-24-19(10-17)12-25(33-24)28(37)32-13-21-22(29)3-2-4-23(21)30/h2-8,10-12,16,27,31,33-36H,9,13-15H2,1H3,(H,32,37)/t16-,27+/m1/s1
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n/an/an/an/a 0.0530n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-2 receptor expressed in CHO cells assessed as elevation in cAMP levels


Bioorg Med Chem Lett 17: 6188-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.031
BindingDB Entry DOI: 10.7270/Q2222VM3
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50223434
PNG
(CHEMBL237501 | N-(2,6-dimethoxybenzyl)-5-((R)-2-((...)
Show SMILES COc1cccc(OC)c1CNC(=O)c1cc2cc(C[C@@H](C)NC[C@H](O)c3ccc(O)c(CO)c3)ccc2[nH]1
Show InChI InChI=1S/C30H35N3O6/c1-18(31-16-27(36)20-8-10-26(35)22(13-20)17-34)11-19-7-9-24-21(12-19)14-25(33-24)30(37)32-15-23-28(38-2)5-4-6-29(23)39-3/h4-10,12-14,18,27,31,33-36H,11,15-17H2,1-3H3,(H,32,37)/t18-,27+/m1/s1
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n/an/an/an/a 0.0580n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-2 receptor expressed in CHO cells assessed as elevation in cAMP levels


Bioorg Med Chem Lett 17: 6188-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.031
BindingDB Entry DOI: 10.7270/Q2222VM3
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50223431
PNG
(5-((R)-2-((R)-2-hydroxy-2-(4-hydroxy-3-(hydroxymet...)
Show SMILES C[C@H](Cc1ccc2[nH]c(cc2c1)C(=O)N[C@H](C)c1ccccc1)NC[C@H](O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C29H33N3O4/c1-18(30-16-28(35)22-9-11-27(34)24(14-22)17-33)12-20-8-10-25-23(13-20)15-26(32-25)29(36)31-19(2)21-6-4-3-5-7-21/h3-11,13-15,18-19,28,30,32-35H,12,16-17H2,1-2H3,(H,31,36)/t18-,19-,28+/m1/s1
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n/an/an/an/a 0.0580n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-2 receptor expressed in CHO cells assessed as elevation in cAMP levels


Bioorg Med Chem Lett 17: 6188-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.031
BindingDB Entry DOI: 10.7270/Q2222VM3
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50243544
PNG
(4-(2-{[(2R)-2-(6-Amino-3-pyridinyl)-2-hydroxyethyl...)
Show SMILES CC(C)Cc1cc(ccc1C(O)=O)-c1ccc(OCCNC[C@H](O)c2ccc(N)nc2)cc1
Show InChI InChI=1S/C26H31N3O4/c1-17(2)13-21-14-19(5-9-23(21)26(31)32)18-3-7-22(8-4-18)33-12-11-28-16-24(30)20-6-10-25(27)29-15-20/h3-10,14-15,17,24,28,30H,11-13,16H2,1-2H3,(H2,27,29)(H,31,32)/t24-/m0/s1
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n/an/an/an/a 0.0590n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50073053
PNG
((2-{2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamin...)
Show SMILES O[C@@H](CNCCc1cc2cccc(OCC(O)=O)c2[nH]1)c1cccc(Cl)c1
Show InChI InChI=1S/C20H21ClN2O4/c21-15-5-1-3-13(9-15)17(24)11-22-8-7-16-10-14-4-2-6-18(20(14)23-16)27-12-19(25)26/h1-6,9-10,17,22-24H,7-8,11-12H2,(H,25,26)/t17-/m0/s1
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n/an/an/an/a 0.0600n/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Beta-3 adrenergic receptor


J Med Chem 42: 181-201 (1999)


Article DOI: 10.1021/jm980521l
BindingDB Entry DOI: 10.7270/Q2T43S8P
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50326546
PNG
(CHEMBL402501 | N-adamantan-1-yl-2-(3-{(R)-2-[(R)-2...)
Show SMILES C[C@H](Cc1cccc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c1)NC[C@H](O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C30H40N2O4/c1-19(31-17-28(35)25-5-6-27(34)26(13-25)18-33)7-20-3-2-4-21(8-20)12-29(36)32-30-14-22-9-23(15-30)11-24(10-22)16-30/h2-6,8,13,19,22-24,28,31,33-35H,7,9-12,14-18H2,1H3,(H,32,36)/t19-,22?,23?,24?,28+,30?/m1/s1
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n/an/an/an/a 0.0600n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as elevation in cAMP level after 1 hr by flashplate m...


J Med Chem 53: 6640-52 (2010)


Article DOI: 10.1021/jm1005989
BindingDB Entry DOI: 10.7270/Q2X0678R
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50326550
PNG
(CHEMBL1243317 | N-(3,4-dimethylbenzyl)-2-(3-((R)-2...)
Show SMILES C[C@H](Cc1cccc(CC(=O)NCc2ccc(C)c(C)c2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C29H37N3O5S/c1-19-8-9-24(12-20(19)2)17-31-29(35)15-23-7-5-6-22(14-23)13-21(3)30-18-28(34)25-10-11-27(33)26(16-25)32-38(4,36)37/h5-12,14,16,21,28,30,32-34H,13,15,17-18H2,1-4H3,(H,31,35)/t21-,28+/m1/s1
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n/an/an/an/a 0.0600n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as elevation in cAMP level after 1 hr by flashplate m...


J Med Chem 53: 6640-52 (2010)


Article DOI: 10.1021/jm1005989
BindingDB Entry DOI: 10.7270/Q2X0678R
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50126069
PNG
((3-{2-[(R)-2-((R)-3-Chloro-phenyl)-2-hydroxy-ethyl...)
Show SMILES C[C@H](Cc1c[nH]c2c(OCC(O)=O)cccc12)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C21H23ClN2O4/c1-13(23-11-18(25)14-4-2-5-16(22)9-14)8-15-10-24-21-17(15)6-3-7-19(21)28-12-20(26)27/h2-7,9-10,13,18,23-25H,8,11-12H2,1H3,(H,26,27)/t13-,18+/m1/s1
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n/an/an/an/a 0.0620n/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonism of recombinant human beta-3 adrenergic receptor assayed by measuring cAMP accumulation in CHO cells expressing beta3-AR


Bioorg Med Chem Lett 13: 1301-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00073-8
BindingDB Entry DOI: 10.7270/Q25B01TS
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50277534
PNG
(3-(Cyclohexylamino)-4'-(2-{[(2R)-2-hydroxy-2-pyrid...)
Show SMILES CS(=O)(=O)NC(=O)c1ccc(cc1NC1CCCCC1)-c1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C29H36N4O4S/c1-38(36,37)33-29(35)26-14-13-23(18-27(26)32-25-7-3-2-4-8-25)22-11-9-21(10-12-22)15-17-31-20-28(34)24-6-5-16-30-19-24/h5-6,9-14,16,18-19,25,28,31-32,34H,2-4,7-8,15,17,20H2,1H3,(H,33,35)/t28-/m0/s1
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n/an/an/an/a 0.0620n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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


J Med Chem 52: 3063-72 (2009)


Article DOI: 10.1021/jm9000709
BindingDB Entry DOI: 10.7270/Q2S75G6J
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50242836
PNG
(4-(2-{[(2R)-2-Hydroxy-2-(3-hydroxyphenyl)ethyl]ami...)
Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2cccc(O)c2)cc1
Show InChI InChI=1S/C26H29NO5/c1-17(2)32-25-15-20(10-11-23(25)26(30)31)19-8-6-18(7-9-19)12-13-27-16-24(29)21-4-3-5-22(28)14-21/h3-11,14-15,17,24,27-29H,12-13,16H2,1-2H3,(H,30,31)/t24-/m0/s1
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n/an/an/an/a 0.0620n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50418946
PNG
(CHEMBL1807817)
Show SMILES O[C@@H](CNCCSCCCOCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C22H28N2O4S2/c25-18-8-7-17(21-20(18)24-22(27)30-21)19(26)15-23-10-14-29-13-4-11-28-12-9-16-5-2-1-3-6-16/h1-3,5-8,19,23,25-26H,4,9-15H2,(H,24,27)/t19-/m0/s1
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n/an/an/an/a 0.0631n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human adrenergic beta2 receptor expressed in H292 cells assessed as stimulation of cAMP accumulation after 60 mins


Bioorg Med Chem Lett 21: 4612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.097
BindingDB Entry DOI: 10.7270/Q2QV3NS2
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50419652
PNG
(MILVETEROL)
Show SMILES O[C@@H](CNCCc1ccc(NC[C@H](O)c2ccccc2)cc1)c1ccc(O)c(NC=O)c1
Show InChI InChI=1S/C25H29N3O4/c29-17-28-22-14-20(8-11-23(22)30)24(31)15-26-13-12-18-6-9-21(10-7-18)27-16-25(32)19-4-2-1-3-5-19/h1-11,14,17,24-27,30-32H,12-13,15-16H2,(H,28,29)/t24-,25-/m0/s1
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n/an/an/an/a 0.0631n/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human beta2-adrenoceptor expressed in whole cells assessed as cAMP accumulation by homogeneous radioimmunoassay


Bioorg Med Chem Lett 22: 1213-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.072
BindingDB Entry DOI: 10.7270/Q2QN681Q
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50021888
PNG
(CHEMBL3298987)
Show SMILES CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1
Show InChI InChI=1S/C35H38N4O4/c1-35(2,36)22-43-32-16-12-26(20-29(32)24-6-4-3-5-7-24)38-25-10-8-23(9-11-25)18-19-37-21-31(41)27-13-15-30(40)34-28(27)14-17-33(42)39-34/h3-17,20,31,37-38,40-41H,18-19,21-22,36H2,1-2H3,(H,39,42)/t31-/m0/s1
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n/an/an/an/a 0.0631n/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenergic receptor expressed in cells by cAMP accumulation assay


Bioorg Med Chem Lett 24: 2871-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.095
BindingDB Entry DOI: 10.7270/Q22J6DFT
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50419652
PNG
(MILVETEROL)
Show SMILES O[C@@H](CNCCc1ccc(NC[C@H](O)c2ccccc2)cc1)c1ccc(O)c(NC=O)c1
Show InChI InChI=1S/C25H29N3O4/c29-17-28-22-14-20(8-11-23(22)30)24(31)15-26-13-12-18-6-9-21(10-7-18)27-16-25(32)19-4-2-1-3-5-19/h1-11,14,17,24-27,30-32H,12-13,15-16H2,(H,28,29)/t24-,25-/m0/s1
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n/an/an/an/a 0.0631n/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta2 receptor assessed as cAMP accumulation by radioimmunoassay and cell based assay


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


Article DOI: 10.1016/j.bmcl.2014.04.069
BindingDB Entry DOI: 10.7270/Q2M32X96
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50419652
PNG
(MILVETEROL)
Show SMILES O[C@@H](CNCCc1ccc(NC[C@H](O)c2ccccc2)cc1)c1ccc(O)c(NC=O)c1
Show InChI InChI=1S/C25H29N3O4/c29-17-28-22-14-20(8-11-23(22)30)24(31)15-26-13-12-18-6-9-21(10-7-18)27-16-25(32)19-4-2-1-3-5-19/h1-11,14,17,24-27,30-32H,12-13,15-16H2,(H,28,29)/t24-,25-/m0/s1
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n/an/an/an/a 0.0631n/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenergic receptor expressed in cells by cAMP accumulation assay


Bioorg Med Chem Lett 24: 2871-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.095
BindingDB Entry DOI: 10.7270/Q22J6DFT
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50243392
PNG
(4-((2R)-2-{[(2R)-2-Hydroxy-2-(3-pyridinyl)ethyl]am...)
Show SMILES CCCOc1cc(ccc1C(O)=O)-c1ccc(C[C@@H](C)NC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C26H30N2O4/c1-3-13-32-25-15-21(10-11-23(25)26(30)31)20-8-6-19(7-9-20)14-18(2)28-17-24(29)22-5-4-12-27-16-22/h4-12,15-16,18,24,28-29H,3,13-14,17H2,1-2H3,(H,30,31)/t18-,24+/m1/s1
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n/an/an/an/a 0.0640n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50277526
PNG
((R)-4'-(2-(2-(4-aminopyridin-3-yl)-2-hydroxyethyla...)
Show SMILES CC(C)Cc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2cnccc2N)cc1
Show InChI InChI=1S/C26H31N3O3/c1-17(2)13-21-14-20(7-8-22(21)26(31)32)19-5-3-18(4-6-19)9-11-29-16-25(30)23-15-28-12-10-24(23)27/h3-8,10,12,14-15,17,25,29-30H,9,11,13,16H2,1-2H3,(H2,27,28)(H,31,32)/t25-/m0/s1
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n/an/an/an/a 0.0660n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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


J Med Chem 52: 3063-72 (2009)


Article DOI: 10.1021/jm9000709
BindingDB Entry DOI: 10.7270/Q2S75G6J
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50243113
PNG
(4-(2-{[(2R)-2-(6-Amino-3-pyridinyl)-2-hydroxyethyl...)
Show SMILES CC(C)Cc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2ccc(N)nc2)cc1
Show InChI InChI=1S/C26H31N3O3/c1-17(2)13-22-14-20(7-9-23(22)26(31)32)19-5-3-18(4-6-19)11-12-28-16-24(30)21-8-10-25(27)29-15-21/h3-10,14-15,17,24,28,30H,11-13,16H2,1-2H3,(H2,27,29)(H,31,32)/t24-/m0/s1
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n/an/an/an/a 0.0660n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50243393
PNG
(3-(Cyclohexyloxy)-4-((2R)-2-{[(2R)-2-hydroxy-2-(3-...)
Show SMILES C[C@H](Cc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1)NC[C@H](O)c1cccnc1
Show InChI InChI=1S/C29H34N2O4/c1-20(31-19-27(32)24-6-5-15-30-18-24)16-21-9-11-22(12-10-21)23-13-14-26(29(33)34)28(17-23)35-25-7-3-2-4-8-25/h5-6,9-15,17-18,20,25,27,31-32H,2-4,7-8,16,19H2,1H3,(H,33,34)/t20-,27+/m1/s1
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n/an/an/an/a 0.0690n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
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