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PubMed code 20181479

Compile data set for download or QSAR
Found 177 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))
BDBM50313959
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C28H27N3O2/c32-27(25-7-4-17-29-19-25)20-30-18-16-21-8-14-26(15-9-21)31-28(33)24-12-10-23(11-13-24)22-5-2-1-3-6-22/h1-15,17,19,27,30,32H,16,18,20H2,(H,31,33)/t27-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313973
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccc(CCc3ccccc3)cc2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C30H31N3O2/c34-29(27-7-4-19-31-21-27)22-32-20-18-25-12-16-28(17-13-25)33-30(35)26-14-10-24(11-15-26)9-8-23-5-2-1-3-6-23/h1-7,10-17,19,21,29,32,34H,8-9,18,20,22H2,(H,33,35)/t29-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313958
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2cccc(c2)-c2ccccc2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C28H27N3O2/c32-27(25-10-5-16-29-19-25)20-30-17-15-21-11-13-26(14-12-21)31-28(33)24-9-4-8-23(18-24)22-6-2-1-3-7-22/h1-14,16,18-19,27,30,32H,15,17,20H2,(H,31,33)/t27-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313972
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2cccc(CCc3ccccc3)c2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C30H31N3O2/c34-29(27-10-5-18-31-21-27)22-32-19-17-24-13-15-28(16-14-24)33-30(35)26-9-4-8-25(20-26)12-11-23-6-2-1-3-7-23/h1-10,13-16,18,20-21,29,32,34H,11-12,17,19,22H2,(H,33,35)/t29-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313971
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2cccc(c2)-c2ncc[nH]2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C25H25N5O2/c31-23(21-5-2-11-26-16-21)17-27-12-10-18-6-8-22(9-7-18)30-25(32)20-4-1-3-19(15-20)24-28-13-14-29-24/h1-9,11,13-16,23,27,31H,10,12,17H2,(H,28,29)(H,30,32)/t23-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313931
PNG
((R)-2-(benzo[d]oxazol-2-yl)-N-(4-(2-(2-hydroxy-2-(...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2nc3ccccc3o2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C24H24N4O3/c29-21(18-4-3-12-25-15-18)16-26-13-11-17-7-9-19(10-8-17)27-23(30)14-24-28-20-5-1-2-6-22(20)31-24/h1-10,12,15,21,26,29H,11,13-14,16H2,(H,27,30)/t21-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313970
PNG
((R)-3-(2-(1H-pyrrol-1-yl)ethyl)-N-(4-(2-(2-hydroxy...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2cccc(CCn3cccc3)c2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C28H30N4O2/c33-27(25-7-4-14-29-20-25)21-30-15-12-22-8-10-26(11-9-22)31-28(34)24-6-3-5-23(19-24)13-18-32-16-1-2-17-32/h1-11,14,16-17,19-20,27,30,33H,12-13,15,18,21H2,(H,31,34)/t27-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313945
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2cccc3ccnn23)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C23H23N5O2/c29-22(18-3-2-12-24-15-18)16-25-13-10-17-6-8-19(9-7-17)27-23(30)21-5-1-4-20-11-14-26-28(20)21/h1-9,11-12,14-15,22,25,29H,10,13,16H2,(H,27,30)/t22-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313955
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES CNc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cs1 |r|
Show InChI InChI=1S/C21H25N5O2S/c1-22-21-26-18(14-29-21)11-20(28)25-17-6-4-15(5-7-17)8-10-24-13-19(27)16-3-2-9-23-12-16/h2-7,9,12,14,19,24,27H,8,10-11,13H2,1H3,(H,22,26)(H,25,28)/t19-/m0/s1
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n/an/a 700n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313943
PNG
((R)-(1H-benzo[d]imidazol-2-yl)methyl 4-(2-(2-hydro...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)OCc2nc3ccccc3[nH]2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C24H25N5O3/c30-22(18-4-3-12-25-14-18)15-26-13-11-17-7-9-19(10-8-17)27-24(31)32-16-23-28-20-5-1-2-6-21(20)29-23/h1-10,12,14,22,26,30H,11,13,15-16H2,(H,27,31)(H,28,29)/t22-/m0/s1
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n/an/a 840n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313938
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2nc(cs2)-c2ccccc2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C26H26N4O2S/c31-24(21-7-4-13-27-16-21)17-28-14-12-19-8-10-22(11-9-19)29-25(32)15-26-30-23(18-33-26)20-5-2-1-3-6-20/h1-11,13,16,18,24,28,31H,12,14-15,17H2,(H,29,32)/t24-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313941
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2nc3ccccc3[nH]2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C23H23N5O2/c29-21(17-4-3-12-24-14-17)15-25-13-11-16-7-9-18(10-8-16)26-23(30)22-27-19-5-1-2-6-20(19)28-22/h1-10,12,14,21,25,29H,11,13,15H2,(H,26,30)(H,27,28)/t21-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313931
PNG
((R)-2-(benzo[d]oxazol-2-yl)-N-(4-(2-(2-hydroxy-2-(...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2nc3ccccc3o2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C24H24N4O3/c29-21(18-4-3-12-25-15-18)16-26-13-11-17-7-9-19(10-8-17)27-23(30)14-24-28-20-5-1-2-6-22(20)31-24/h1-10,12,15,21,26,29H,11,13-14,16H2,(H,27,30)/t21-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313920
PNG
(CHEMBL1085444 | N-(4-(2-((R)-2-hydroxy-2-(pyridin-...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)CN2CC(CC2=O)c2ccccc2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C27H30N4O3/c32-25(22-7-4-13-28-16-22)17-29-14-12-20-8-10-24(11-9-20)30-26(33)19-31-18-23(15-27(31)34)21-5-2-1-3-6-21/h1-11,13,16,23,25,29,32H,12,14-15,17-19H2,(H,30,33)/t23?,25-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313936
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2csc(n2)-c2ccccc2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C26H26N4O2S/c31-24(21-7-4-13-27-16-21)17-28-14-12-19-8-10-22(11-9-19)29-25(32)15-23-18-33-26(30-23)20-5-2-1-3-6-20/h1-11,13,16,18,24,28,31H,12,14-15,17H2,(H,29,32)/t24-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313938
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2nc(cs2)-c2ccccc2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C26H26N4O2S/c31-24(21-7-4-13-27-16-21)17-28-14-12-19-8-10-22(11-9-19)29-25(32)15-26-30-23(18-33-26)20-5-2-1-3-6-20/h1-11,13,16,18,24,28,31H,12,14-15,17H2,(H,29,32)/t24-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313936
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2csc(n2)-c2ccccc2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C26H26N4O2S/c31-24(21-7-4-13-27-16-21)17-28-14-12-19-8-10-22(11-9-19)29-25(32)15-23-18-33-26(30-23)20-5-2-1-3-6-20/h1-11,13,16,18,24,28,31H,12,14-15,17H2,(H,29,32)/t24-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313968
PNG
((R)-2-(1H-benzo[d]imidazol-2-yl)-N-(4-(2-(2-hydrox...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2-c2nc3ccccc3[nH]2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C29H27N5O2/c35-27(21-6-5-16-30-18-21)19-31-17-15-20-11-13-22(14-12-20)32-29(36)24-8-2-1-7-23(24)28-33-25-9-3-4-10-26(25)34-28/h1-14,16,18,27,31,35H,15,17,19H2,(H,32,36)(H,33,34)/t27-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313967
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C30H31N3O2/c34-29(26-10-6-19-31-21-26)22-32-20-18-24-13-16-27(17-14-24)33-30(35)28-11-5-4-9-25(28)15-12-23-7-2-1-3-8-23/h1-11,13-14,16-17,19,21,29,32,34H,12,15,18,20,22H2,(H,33,35)/t29-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313959
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C28H27N3O2/c32-27(25-7-4-17-29-19-25)20-30-18-16-21-8-14-26(15-9-21)31-28(33)24-12-10-23(11-13-24)22-5-2-1-3-6-22/h1-15,17,19,27,30,32H,16,18,20H2,(H,31,33)/t27-/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313973
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccc(CCc3ccccc3)cc2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C30H31N3O2/c34-29(27-7-4-19-31-21-27)22-32-20-18-25-12-16-28(17-13-25)33-30(35)26-14-10-24(11-15-26)9-8-23-5-2-1-3-6-23/h1-7,10-17,19,21,29,32,34H,8-9,18,20,22H2,(H,33,35)/t29-/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50092645
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2ccc(cc2)C(F)(F)F)cc1)c1cccnc1
Show InChI InChI=1S/C31H27F3N4O3S2/c32-31(33,34)25-9-5-22(6-10-25)28-20-42-30(37-28)23-7-13-27(14-8-23)43(40,41)38-26-11-3-21(4-12-26)15-17-36-19-29(39)24-2-1-16-35-18-24/h1-14,16,18,20,29,36,38-39H,15,17,19H2/t29-/m0/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50092645
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2ccc(cc2)C(F)(F)F)cc1)c1cccnc1
Show InChI InChI=1S/C31H27F3N4O3S2/c32-31(33,34)25-9-5-22(6-10-25)28-20-42-30(37-28)23-7-13-27(14-8-23)43(40,41)38-26-11-3-21(4-12-26)15-17-36-19-29(39)24-2-1-16-35-18-24/h1-14,16,18,20,29,36,38-39H,15,17,19H2/t29-/m0/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313967
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C30H31N3O2/c34-29(26-10-6-19-31-21-26)22-32-20-18-24-13-16-27(17-14-24)33-30(35)28-11-5-4-9-25(28)15-12-23-7-2-1-3-8-23/h1-11,13-14,16-17,19,21,29,32,34H,12,15,18,20,22H2,(H,33,35)/t29-/m0/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313925
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2ccccc2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C23H25N3O2/c27-22(20-7-4-13-24-16-20)17-25-14-12-18-8-10-21(11-9-18)26-23(28)15-19-5-2-1-3-6-19/h1-11,13,16,22,25,27H,12,14-15,17H2,(H,26,28)/t22-/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313964
PNG
((R)-2-cyclohexyl-N-(4-(2-(2-hydroxy-2-(pyridin-3-y...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2C2CCCCC2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C28H33N3O2/c32-27(23-9-6-17-29-19-23)20-30-18-16-21-12-14-24(15-13-21)31-28(33)26-11-5-4-10-25(26)22-7-2-1-3-8-22/h4-6,9-15,17,19,22,27,30,32H,1-3,7-8,16,18,20H2,(H,31,33)/t27-/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313922
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cn2c3ccccc3cnc2=O)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C25H25N5O3/c31-23(20-5-3-12-26-14-20)16-27-13-11-18-7-9-21(10-8-18)29-24(32)17-30-22-6-2-1-4-19(22)15-28-25(30)33/h1-10,12,14-15,23,27,31H,11,13,16-17H2,(H,29,32)/t23-/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313929
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cn2cc3ccccc3n2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C24H25N5O2/c30-23(19-5-3-12-25-14-19)15-26-13-11-18-7-9-21(10-8-18)27-24(31)17-29-16-20-4-1-2-6-22(20)28-29/h1-10,12,14,16,23,26,30H,11,13,15,17H2,(H,27,31)/t23-/m0/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313921
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C25H25N5O3/c31-23(19-4-3-12-26-14-19)15-27-13-11-18-7-9-20(10-8-18)29-24(32)16-30-17-28-22-6-2-1-5-21(22)25(30)33/h1-10,12,14,17,23,27,31H,11,13,15-16H2,(H,29,32)/t23-/m0/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313950
PNG
((R)-2-(3,5-diphenyl-1H-pyrazol-1-yl)-N-(4-(2-(2-hy...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cn2nc(cc2-c2ccccc2)-c2ccccc2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C32H31N5O2/c38-31(27-12-7-18-33-21-27)22-34-19-17-24-13-15-28(16-14-24)35-32(39)23-37-30(26-10-5-2-6-11-26)20-29(36-37)25-8-3-1-4-9-25/h1-16,18,20-21,31,34,38H,17,19,22-23H2,(H,35,39)/t31-/m0/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313923
PNG
((R)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(...)
Show SMILES Cc1sc2ncn(CC(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)c(=O)c2c1C |r|
Show InChI InChI=1S/C25H27N5O3S/c1-16-17(2)34-24-23(16)25(33)30(15-28-24)14-22(32)29-20-7-5-18(6-8-20)9-11-27-13-21(31)19-4-3-10-26-12-19/h3-8,10,12,15,21,27,31H,9,11,13-14H2,1-2H3,(H,29,32)/t21-/m0/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313972
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2cccc(CCc3ccccc3)c2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C30H31N3O2/c34-29(27-10-5-18-31-21-27)22-32-19-17-24-13-15-28(16-14-24)33-30(35)26-9-4-8-25(20-26)12-11-23-6-2-1-3-7-23/h1-10,13-16,18,20-21,29,32,34H,11-12,17,19,22H2,(H,33,35)/t29-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313971
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2cccc(c2)-c2ncc[nH]2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C25H25N5O2/c31-23(21-5-2-11-26-16-21)17-27-12-10-18-6-8-22(9-7-18)30-25(32)20-4-1-3-19(15-20)24-28-13-14-29-24/h1-9,11,13-16,23,27,31H,10,12,17H2,(H,28,29)(H,30,32)/t23-/m0/s1
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n/an/a 4.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313969
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2COc2ccccc2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C29H29N3O3/c33-28(23-8-6-17-30-19-23)20-31-18-16-22-12-14-25(15-13-22)32-29(34)27-11-5-4-7-24(27)21-35-26-9-2-1-3-10-26/h1-15,17,19,28,31,33H,16,18,20-21H2,(H,32,34)/t28-/m0/s1
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n/an/a 4.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313958
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2cccc(c2)-c2ccccc2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C28H27N3O2/c32-27(25-10-5-16-29-19-25)20-30-17-15-21-11-13-26(14-12-21)31-28(33)24-9-4-8-23(18-24)22-6-2-1-3-7-22/h1-14,16,18-19,27,30,32H,15,17,20H2,(H,31,33)/t27-/m0/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313963
PNG
((R)-2-(benzo[d]thiazol-2-yl)-N-(4-(2-(2-hydroxy-2-...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2-c2nc3ccccc3s2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C29H26N4O2S/c34-26(21-6-5-16-30-18-21)19-31-17-15-20-11-13-22(14-12-20)32-28(35)23-7-1-2-8-24(23)29-33-25-9-3-4-10-27(25)36-29/h1-14,16,18,26,31,34H,15,17,19H2,(H,32,35)/t26-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313960
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2N2CCCC2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C26H30N4O2/c31-25(21-6-5-14-27-18-21)19-28-15-13-20-9-11-22(12-10-20)29-26(32)23-7-1-2-8-24(23)30-16-3-4-17-30/h1-2,5-12,14,18,25,28,31H,3-4,13,15-17,19H2,(H,29,32)/t25-/m0/s1
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n/an/a 5.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313926
PNG
((R)-2-(1H-benzo[d]imidazol-2-yl)-N-(4-(2-(2-hydrox...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2nc3ccccc3[nH]2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C24H25N5O2/c30-22(18-4-3-12-25-15-18)16-26-13-11-17-7-9-19(10-8-17)27-24(31)14-23-28-20-5-1-2-6-21(20)29-23/h1-10,12,15,22,26,30H,11,13-14,16H2,(H,27,31)(H,28,29)/t22-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313964
PNG
((R)-2-cyclohexyl-N-(4-(2-(2-hydroxy-2-(pyridin-3-y...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2C2CCCCC2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C28H33N3O2/c32-27(23-9-6-17-29-19-23)20-30-18-16-21-12-14-24(15-13-21)31-28(33)26-11-5-4-10-25(26)22-7-2-1-3-8-22/h4-6,9-15,17,19,22,27,30,32H,1-3,7-8,16,18,20H2,(H,31,33)/t27-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313920
PNG
(CHEMBL1085444 | N-(4-(2-((R)-2-hydroxy-2-(pyridin-...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)CN2CC(CC2=O)c2ccccc2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C27H30N4O3/c32-25(22-7-4-13-28-16-22)17-29-14-12-20-8-10-24(11-9-20)30-26(33)19-31-18-23(15-27(31)34)21-5-2-1-3-6-21/h1-11,13,16,23,25,29,32H,12,14-15,17-19H2,(H,30,33)/t23?,25-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313966
PNG
((R)-2-(2-(1H-pyrrol-1-yl)ethyl)-N-(4-(2-(2-hydroxy...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2CCn2cccc2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C28H30N4O2/c33-27(24-7-5-15-29-20-24)21-30-16-13-22-9-11-25(12-10-22)31-28(34)26-8-2-1-6-23(26)14-19-32-17-3-4-18-32/h1-12,15,17-18,20,27,30,33H,13-14,16,19,21H2,(H,31,34)/t27-/m0/s1
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n/an/a 6.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313930
PNG
((R)-2-(2H-benzo[d][1,2,3]triazol-2-yl)-N-(4-(2-(2-...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cn2nc3ccccc3n2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C23H24N6O2/c30-22(18-4-3-12-24-14-18)15-25-13-11-17-7-9-19(10-8-17)26-23(31)16-29-27-20-5-1-2-6-21(20)28-29/h1-10,12,14,22,25,30H,11,13,15-16H2,(H,26,31)/t22-/m0/s1
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n/an/a 7.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313923
PNG
((R)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(...)
Show SMILES Cc1sc2ncn(CC(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)c(=O)c2c1C |r|
Show InChI InChI=1S/C25H27N5O3S/c1-16-17(2)34-24-23(16)25(33)30(15-28-24)14-22(32)29-20-7-5-18(6-8-20)9-11-27-13-21(31)19-4-3-10-26-12-19/h3-8,10,12,15,21,27,31H,9,11,13-14H2,1-2H3,(H,29,32)/t21-/m0/s1
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n/an/a 7.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313935
PNG
((R)-2-(2-aminothiazol-4-yl)-N-(4-(2-(2-hydroxy-2-(...)
Show SMILES Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cs1 |r|
Show InChI InChI=1S/C20H23N5O2S/c21-20-25-17(13-28-20)10-19(27)24-16-5-3-14(4-6-16)7-9-23-12-18(26)15-2-1-8-22-11-15/h1-6,8,11,13,18,23,26H,7,9-10,12H2,(H2,21,25)(H,24,27)/t18-/m0/s1
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n/an/a 8.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313941
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2nc3ccccc3[nH]2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C23H23N5O2/c29-21(17-4-3-12-24-14-17)15-25-13-11-16-7-9-18(10-8-16)26-23(30)22-27-19-5-1-2-6-20(19)28-22/h1-10,12,14,21,25,29H,11,13,15H2,(H,26,30)(H,27,28)/t21-/m0/s1
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n/an/a 8.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313935
PNG
((R)-2-(2-aminothiazol-4-yl)-N-(4-(2-(2-hydroxy-2-(...)
Show SMILES Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cs1 |r|
Show InChI InChI=1S/C20H23N5O2S/c21-20-25-17(13-28-20)10-19(27)24-16-5-3-14(4-6-16)7-9-23-12-18(26)15-2-1-8-22-11-15/h1-6,8,11,13,18,23,26H,7,9-10,12H2,(H2,21,25)(H,24,27)/t18-/m0/s1
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n/an/a 8.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313927
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2n[nH]c3ccccc23)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C24H25N5O2/c30-23(18-4-3-12-25-15-18)16-26-13-11-17-7-9-19(10-8-17)27-24(31)14-22-20-5-1-2-6-21(20)28-29-22/h1-10,12,15,23,26,30H,11,13-14,16H2,(H,27,31)(H,28,29)/t23-/m0/s1
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n/an/a 9.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313969
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2COc2ccccc2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C29H29N3O3/c33-28(23-8-6-17-30-19-23)20-31-18-16-22-12-14-25(15-13-22)32-29(34)27-11-5-4-7-24(27)21-35-26-9-2-1-3-10-26/h1-15,17,19,28,31,33H,16,18,20-21H2,(H,32,34)/t28-/m0/s1
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n/an/a 9.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313961
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2-n2nccn2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C24H24N6O2/c31-23(19-4-3-12-25-16-19)17-26-13-11-18-7-9-20(10-8-18)29-24(32)21-5-1-2-6-22(21)30-27-14-15-28-30/h1-10,12,14-16,23,26,31H,11,13,17H2,(H,29,32)/t23-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313921
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C25H25N5O3/c31-23(19-4-3-12-26-14-19)15-27-13-11-18-7-9-20(10-8-18)29-24(32)16-30-17-28-22-6-2-1-5-21(22)25(30)33/h1-10,12,14,17,23,27,31H,11,13,15-16H2,(H,29,32)/t23-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313925
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2ccccc2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C23H25N3O2/c27-22(20-7-4-13-24-16-20)17-25-14-12-18-8-10-21(11-9-18)26-23(28)15-19-5-2-1-3-6-19/h1-11,13,16,22,25,27H,12,14-15,17H2,(H,26,28)/t22-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313929
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cn2cc3ccccc3n2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C24H25N5O2/c30-23(19-5-3-12-25-14-19)15-26-13-11-18-7-9-21(10-8-18)27-24(31)17-29-16-20-4-1-2-6-22(20)28-29/h1-10,12,14,16,23,26,30H,11,13,15,17H2,(H,27,31)/t23-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313968
PNG
((R)-2-(1H-benzo[d]imidazol-2-yl)-N-(4-(2-(2-hydrox...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2-c2nc3ccccc3[nH]2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C29H27N5O2/c35-27(21-6-5-16-30-18-21)19-31-17-15-20-11-13-22(14-12-20)32-29(36)24-8-2-1-7-23(24)28-33-25-9-3-4-10-26(25)34-28/h1-14,16,18,27,31,35H,15,17,19H2,(H,32,36)(H,33,34)/t27-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313970
PNG
((R)-3-(2-(1H-pyrrol-1-yl)ethyl)-N-(4-(2-(2-hydroxy...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2cccc(CCn3cccc3)c2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C28H30N4O2/c33-27(25-7-4-14-29-20-25)21-30-15-12-22-8-10-26(11-9-22)31-28(34)24-6-3-5-23(19-24)13-18-32-16-1-2-17-32/h1-11,14,16-17,19-20,27,30,33H,12-13,15,18,21H2,(H,31,34)/t27-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313937
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES Cc1csc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)n1 |r|
Show InChI InChI=1S/C21H24N4O2S/c1-15-14-28-21(24-15)11-20(27)25-18-6-4-16(5-7-18)8-10-23-13-19(26)17-3-2-9-22-12-17/h2-7,9,12,14,19,23,26H,8,10-11,13H2,1H3,(H,25,27)/t19-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313934
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES Cc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cs1 |r|
Show InChI InChI=1S/C21H24N4O2S/c1-15-24-19(14-28-15)11-21(27)25-18-6-4-16(5-7-18)8-10-23-13-20(26)17-3-2-9-22-12-17/h2-7,9,12,14,20,23,26H,8,10-11,13H2,1H3,(H,25,27)/t20-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313962
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2-c2ncc[nH]2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C25H25N5O2/c31-23(19-4-3-12-26-16-19)17-27-13-11-18-7-9-20(10-8-18)30-25(32)22-6-2-1-5-21(22)24-28-14-15-29-24/h1-10,12,14-16,23,27,31H,11,13,17H2,(H,28,29)(H,30,32)/t23-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313962
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2-c2ncc[nH]2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C25H25N5O2/c31-23(19-4-3-12-26-16-19)17-27-13-11-18-7-9-20(10-8-18)30-25(32)22-6-2-1-5-21(22)24-28-14-15-29-24/h1-10,12,14-16,23,27,31H,11,13,17H2,(H,28,29)(H,30,32)/t23-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313937
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES Cc1csc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)n1 |r|
Show InChI InChI=1S/C21H24N4O2S/c1-15-14-28-21(24-15)11-20(27)25-18-6-4-16(5-7-18)8-10-23-13-19(26)17-3-2-9-22-12-17/h2-7,9,12,14,19,23,26H,8,10-11,13H2,1H3,(H,25,27)/t19-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313939
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2nnc([nH]2)-c2ccccc2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C25H26N6O2/c32-22(20-7-4-13-26-16-20)17-27-14-12-18-8-10-21(11-9-18)28-24(33)15-23-29-25(31-30-23)19-5-2-1-3-6-19/h1-11,13,16,22,27,32H,12,14-15,17H2,(H,28,33)(H,29,30,31)/t22-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313939
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2nnc([nH]2)-c2ccccc2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C25H26N6O2/c32-22(20-7-4-13-26-16-20)17-27-14-12-18-8-10-21(11-9-18)28-24(33)15-23-29-25(31-30-23)19-5-2-1-3-6-19/h1-11,13,16,22,27,32H,12,14-15,17H2,(H,28,33)(H,29,30,31)/t22-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313934
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES Cc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cs1 |r|
Show InChI InChI=1S/C21H24N4O2S/c1-15-24-19(14-28-15)11-21(27)25-18-6-4-16(5-7-18)8-10-23-13-20(26)17-3-2-9-22-12-17/h2-7,9,12,14,20,23,26H,8,10-11,13H2,1H3,(H,25,27)/t20-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313927
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2n[nH]c3ccccc23)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C24H25N5O2/c30-23(18-4-3-12-25-15-18)16-26-13-11-17-7-9-19(10-8-17)27-24(31)14-22-20-5-1-2-6-21(20)28-29-22/h1-10,12,15,23,26,30H,11,13-14,16H2,(H,27,31)(H,28,29)/t23-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313943
PNG
((R)-(1H-benzo[d]imidazol-2-yl)methyl 4-(2-(2-hydro...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)OCc2nc3ccccc3[nH]2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C24H25N5O3/c30-22(18-4-3-12-25-14-18)15-26-13-11-17-7-9-19(10-8-17)27-24(31)32-16-23-28-20-5-1-2-6-21(20)29-23/h1-10,12,14,22,26,30H,11,13,15-16H2,(H,27,31)(H,28,29)/t22-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313965
PNG
((R)-2-(furan-2-yl)-N-(4-(2-(2-hydroxy-2-(pyridin-3...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2-c2ccco2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C26H25N3O3/c30-24(20-5-3-14-27-17-20)18-28-15-13-19-9-11-21(12-10-19)29-26(31)23-7-2-1-6-22(23)25-8-4-16-32-25/h1-12,14,16-17,24,28,30H,13,15,18H2,(H,29,31)/t24-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313926
PNG
((R)-2-(1H-benzo[d]imidazol-2-yl)-N-(4-(2-(2-hydrox...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2nc3ccccc3[nH]2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C24H25N5O2/c30-22(18-4-3-12-25-15-18)16-26-13-11-17-7-9-19(10-8-17)27-24(31)14-23-28-20-5-1-2-6-21(20)29-23/h1-10,12,15,22,26,30H,11,13-14,16H2,(H,27,31)(H,28,29)/t22-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313961
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2-n2nccn2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C24H24N6O2/c31-23(19-4-3-12-25-16-19)17-26-13-11-18-7-9-20(10-8-18)29-24(32)21-5-1-2-6-22(21)30-27-14-15-28-30/h1-10,12,14-16,23,26,31H,11,13,17H2,(H,29,32)/t23-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313922
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cn2c3ccccc3cnc2=O)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C25H25N5O3/c31-23(20-5-3-12-26-14-20)16-27-13-11-18-7-9-21(10-8-18)29-24(32)17-30-22-6-2-1-4-19(22)15-28-25(30)33/h1-10,12,14-15,23,27,31H,11,13,16-17H2,(H,29,32)/t23-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313944
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES Cn1c(CCC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)nc2ccccc12 |r|
Show InChI InChI=1S/C26H29N5O2/c1-31-23-7-3-2-6-22(23)30-25(31)12-13-26(33)29-21-10-8-19(9-11-21)14-16-28-18-24(32)20-5-4-15-27-17-20/h2-11,15,17,24,28,32H,12-14,16,18H2,1H3,(H,29,33)/t24-/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313966
PNG
((R)-2-(2-(1H-pyrrol-1-yl)ethyl)-N-(4-(2-(2-hydroxy...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2CCn2cccc2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C28H30N4O2/c33-27(24-7-5-15-29-20-24)21-30-16-13-22-9-11-25(12-10-22)31-28(34)26-8-2-1-6-23(26)14-19-32-17-3-4-18-32/h1-12,15,17-18,20,27,30,33H,13-14,16,19,21H2,(H,31,34)/t27-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313974
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES Cc1ccc(N2CCCC2)c(c1)C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 |r|
Show InChI InChI=1S/C27H32N4O2/c1-20-6-11-25(31-15-2-3-16-31)24(17-20)27(33)30-23-9-7-21(8-10-23)12-14-29-19-26(32)22-5-4-13-28-18-22/h4-11,13,17-18,26,29,32H,2-3,12,14-16,19H2,1H3,(H,30,33)/t26-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313930
PNG
((R)-2-(2H-benzo[d][1,2,3]triazol-2-yl)-N-(4-(2-(2-...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cn2nc3ccccc3n2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C23H24N6O2/c30-22(18-4-3-12-24-14-18)15-25-13-11-17-7-9-19(10-8-17)26-23(31)16-29-27-20-5-1-2-6-21(20)28-29/h1-10,12,14,22,25,30H,11,13,15-16H2,(H,26,31)/t22-/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313957
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C28H27N3O2/c32-27(23-9-6-17-29-19-23)20-30-18-16-21-12-14-24(15-13-21)31-28(33)26-11-5-4-10-25(26)22-7-2-1-3-8-22/h1-15,17,19,27,30,32H,16,18,20H2,(H,31,33)/t27-/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313974
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES Cc1ccc(N2CCCC2)c(c1)C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 |r|
Show InChI InChI=1S/C27H32N4O2/c1-20-6-11-25(31-15-2-3-16-31)24(17-20)27(33)30-23-9-7-21(8-10-23)12-14-29-19-26(32)22-5-4-13-28-18-22/h4-11,13,17-18,26,29,32H,2-3,12,14-16,19H2,1H3,(H,30,33)/t26-/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313928
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cn2ncc3ccccc23)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C24H25N5O2/c30-23(20-5-3-12-25-14-20)16-26-13-11-18-7-9-21(10-8-18)28-24(31)17-29-22-6-2-1-4-19(22)15-27-29/h1-10,12,14-15,23,26,30H,11,13,16-17H2,(H,28,31)/t23-/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313945
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2cccc3ccnn23)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C23H23N5O2/c29-22(18-3-2-12-24-15-18)16-25-13-10-17-6-8-19(9-7-17)27-23(30)21-5-1-4-20-11-14-26-28(20)21/h1-9,11-12,14-15,22,25,29H,10,13,16H2,(H,27,30)/t22-/m0/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313975
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES Cc1ccc(C(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c(c1)N1CCCC1 |r|
Show InChI InChI=1S/C27H32N4O2/c1-20-6-11-24(25(17-20)31-15-2-3-16-31)27(33)30-23-9-7-21(8-10-23)12-14-29-19-26(32)22-5-4-13-28-18-22/h4-11,13,17-18,26,29,32H,2-3,12,14-16,19H2,1H3,(H,30,33)/t26-/m0/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313955
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES CNc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cs1 |r|
Show InChI InChI=1S/C21H25N5O2S/c1-22-21-26-18(14-29-21)11-20(28)25-17-6-4-15(5-7-17)8-10-24-13-19(27)16-3-2-9-23-12-16/h2-7,9,12,14,19,24,27H,8,10-11,13H2,1H3,(H,22,26)(H,25,28)/t19-/m0/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313975
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES Cc1ccc(C(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c(c1)N1CCCC1 |r|
Show InChI InChI=1S/C27H32N4O2/c1-20-6-11-24(25(17-20)31-15-2-3-16-31)27(33)30-23-9-7-21(8-10-23)12-14-29-19-26(32)22-5-4-13-28-18-22/h4-11,13,17-18,26,29,32H,2-3,12,14-16,19H2,1H3,(H,30,33)/t26-/m0/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313928
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cn2ncc3ccccc23)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C24H25N5O2/c30-23(20-5-3-12-25-14-20)16-26-13-11-18-7-9-21(10-8-18)28-24(31)17-29-22-6-2-1-4-19(22)15-27-29/h1-10,12,14-15,23,26,30H,11,13,16-17H2,(H,28,31)/t23-/m0/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313942
PNG
((R)-3-(1H-benzo[d]imidazol-2-yl)-N-(4-(2-(2-hydrox...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)CCc2nc3ccccc3[nH]2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C25H27N5O2/c31-23(19-4-3-14-26-16-19)17-27-15-13-18-7-9-20(10-8-18)28-25(32)12-11-24-29-21-5-1-2-6-22(21)30-24/h1-10,14,16,23,27,31H,11-13,15,17H2,(H,28,32)(H,29,30)/t23-/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313949
PNG
((R)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-(2-(2-hy...)
Show SMILES Cc1cc(C)n(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)n1 |r|
Show InChI InChI=1S/C22H27N5O2/c1-16-12-17(2)27(26-16)15-22(29)25-20-7-5-18(6-8-20)9-11-24-14-21(28)19-4-3-10-23-13-19/h3-8,10,12-13,21,24,28H,9,11,14-15H2,1-2H3,(H,25,29)/t21-/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313946
PNG
((R)-2-(4,5-diphenyl-1H-pyrazol-1-yl)-N-(4-(2-(2-hy...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cn2ncc(c2-c2ccccc2)-c2ccccc2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C32H31N5O2/c38-30(27-12-7-18-33-20-27)22-34-19-17-24-13-15-28(16-14-24)36-31(39)23-37-32(26-10-5-2-6-11-26)29(21-35-37)25-8-3-1-4-9-25/h1-16,18,20-21,30,34,38H,17,19,22-23H2,(H,36,39)/t30-/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313933
PNG
((R)-2-(3-amino-1H-1,2,4-triazol-1-yl)-N-(4-(2-(2-h...)
Show SMILES Nc1ncn(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)n1 |r|
Show InChI InChI=1S/C19H23N7O2/c20-19-23-13-26(25-19)12-18(28)24-16-5-3-14(4-6-16)7-9-22-11-17(27)15-2-1-8-21-10-15/h1-6,8,10,13,17,22,27H,7,9,11-12H2,(H2,20,25)(H,24,28)/t17-/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313954
PNG
(2-(2-aminothiazol-4-yl)-N-(4-(2-((R)-2-hydroxy-2-(...)
Show SMILES CC(C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1csc(N)n1 |r|
Show InChI InChI=1S/C21H25N5O2S/c1-14(18-13-29-21(22)26-18)20(28)25-17-6-4-15(5-7-17)8-10-24-12-19(27)16-3-2-9-23-11-16/h2-7,9,11,13-14,19,24,27H,8,10,12H2,1H3,(H2,22,26)(H,25,28)/t14?,19-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313952
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES CC(C)(C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)n1cccn1 |r|
Show InChI InChI=1S/C22H27N5O2/c1-22(2,27-14-4-12-25-27)21(29)26-19-8-6-17(7-9-19)10-13-24-16-20(28)18-5-3-11-23-15-18/h3-9,11-12,14-15,20,24,28H,10,13,16H2,1-2H3,(H,26,29)/t20-/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313948
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES Cc1ccn(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)n1 |r|
Show InChI InChI=1S/C21H25N5O2/c1-16-9-12-26(25-16)15-21(28)24-19-6-4-17(5-7-19)8-11-23-14-20(27)18-3-2-10-22-13-18/h2-7,9-10,12-13,20,23,27H,8,11,14-15H2,1H3,(H,24,28)/t20-/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313952
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES CC(C)(C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)n1cccn1 |r|
Show InChI InChI=1S/C22H27N5O2/c1-22(2,27-14-4-12-25-27)21(29)26-19-8-6-17(7-9-19)10-13-24-16-20(28)18-5-3-11-23-15-18/h3-9,11-12,14-15,20,24,28H,10,13,16H2,1-2H3,(H,26,29)/t20-/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313956
PNG
((R)-2-(2,5-dimethylthiazol-4-yl)-N-(4-(2-(2-hydrox...)
Show SMILES Cc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c(C)s1 |r|
Show InChI InChI=1S/C22H26N4O2S/c1-15-20(25-16(2)29-15)12-22(28)26-19-7-5-17(6-8-19)9-11-24-14-21(27)18-4-3-10-23-13-18/h3-8,10,13,21,24,27H,9,11-12,14H2,1-2H3,(H,26,28)/t21-/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313960
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2N2CCCC2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C26H30N4O2/c31-25(21-6-5-14-27-18-21)19-28-15-13-20-9-11-22(12-10-20)29-26(32)23-7-1-2-8-24(23)30-16-3-4-17-30/h1-2,5-12,14,18,25,28,31H,3-4,13,15-17,19H2,(H,29,32)/t25-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313932
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cn2cncn2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C19H22N6O2/c26-18(16-2-1-8-20-10-16)11-21-9-7-15-3-5-17(6-4-15)24-19(27)12-25-14-22-13-23-25/h1-6,8,10,13-14,18,21,26H,7,9,11-12H2,(H,24,27)/t18-/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313951
PNG
(CHEMBL1093385 | N-(4-(2-((R)-2-hydroxy-2-(pyridin-...)
Show SMILES CC(C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)n1cccn1 |r|
Show InChI InChI=1S/C21H25N5O2/c1-16(26-13-3-11-24-26)21(28)25-19-7-5-17(6-8-19)9-12-23-15-20(27)18-4-2-10-22-14-18/h2-8,10-11,13-14,16,20,23,27H,9,12,15H2,1H3,(H,25,28)/t16?,20-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313957
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C28H27N3O2/c32-27(23-9-6-17-29-19-23)20-30-18-16-21-12-14-24(15-13-21)31-28(33)26-11-5-4-10-25(26)22-7-2-1-3-8-22/h1-15,17,19,27,30,32H,16,18,20H2,(H,31,33)/t27-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313956
PNG
((R)-2-(2,5-dimethylthiazol-4-yl)-N-(4-(2-(2-hydrox...)
Show SMILES Cc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c(C)s1 |r|
Show InChI InChI=1S/C22H26N4O2S/c1-15-20(25-16(2)29-15)12-22(28)26-19-7-5-17(6-8-19)9-11-24-14-21(27)18-4-3-10-23-13-18/h3-8,10,13,21,24,27H,9,11-12,14H2,1-2H3,(H,26,28)/t21-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313942
PNG
((R)-3-(1H-benzo[d]imidazol-2-yl)-N-(4-(2-(2-hydrox...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)CCc2nc3ccccc3[nH]2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C25H27N5O2/c31-23(19-4-3-14-26-16-19)17-27-15-13-18-7-9-20(10-8-18)28-25(32)12-11-24-29-21-5-1-2-6-22(21)30-24/h1-10,14,16,23,27,31H,11-13,15,17H2,(H,28,32)(H,29,30)/t23-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313951
PNG
(CHEMBL1093385 | N-(4-(2-((R)-2-hydroxy-2-(pyridin-...)
Show SMILES CC(C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)n1cccn1 |r|
Show InChI InChI=1S/C21H25N5O2/c1-16(26-13-3-11-24-26)21(28)25-19-7-5-17(6-8-19)9-12-23-15-20(27)18-4-2-10-22-14-18/h2-8,10-11,13-14,16,20,23,27H,9,12,15H2,1H3,(H,25,28)/t16?,20-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313933
PNG
((R)-2-(3-amino-1H-1,2,4-triazol-1-yl)-N-(4-(2-(2-h...)
Show SMILES Nc1ncn(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)n1 |r|
Show InChI InChI=1S/C19H23N7O2/c20-19-23-13-26(25-19)12-18(28)24-16-5-3-14(4-6-16)7-9-22-11-17(27)15-2-1-8-21-10-15/h1-6,8,10,13,17,22,27H,7,9,11-12H2,(H2,20,25)(H,24,28)/t17-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313963
PNG
((R)-2-(benzo[d]thiazol-2-yl)-N-(4-(2-(2-hydroxy-2-...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2-c2nc3ccccc3s2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C29H26N4O2S/c34-26(21-6-5-16-30-18-21)19-31-17-15-20-11-13-22(14-12-20)32-28(35)23-7-1-2-8-24(23)29-33-25-9-3-4-10-27(25)36-29/h1-14,16,18,26,31,34H,15,17,19H2,(H,32,35)/t26-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313919
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 |r|
Show InChI InChI=1S/C23H25N3O2/c1-17-5-2-3-7-21(17)23(28)26-20-10-8-18(9-11-20)12-14-25-16-22(27)19-6-4-13-24-15-19/h2-11,13,15,22,25,27H,12,14,16H2,1H3,(H,26,28)/t22-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313953
PNG
(2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-(2-((R)-2-hy...)
Show SMILES CC(C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)n1nc(C)cc1C |r|
Show InChI InChI=1S/C23H29N5O2/c1-16-13-17(2)28(27-16)18(3)23(30)26-21-8-6-19(7-9-21)10-12-25-15-22(29)20-5-4-11-24-14-20/h4-9,11,13-14,18,22,25,29H,10,12,15H2,1-3H3,(H,26,30)/t18?,22-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313950
PNG
((R)-2-(3,5-diphenyl-1H-pyrazol-1-yl)-N-(4-(2-(2-hy...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cn2nc(cc2-c2ccccc2)-c2ccccc2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C32H31N5O2/c38-31(27-12-7-18-33-21-27)22-34-19-17-24-13-15-28(16-14-24)35-32(39)23-37-30(26-10-5-2-6-11-26)20-29(36-37)25-8-3-1-4-9-25/h1-16,18,20-21,31,34,38H,17,19,22-23H2,(H,35,39)/t31-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50378709
PNG
(CHEMBL1204416)
Show SMILES CC(C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)n1cccn1
Show InChI InChI=1S/C21H25N5O2/c1-16(26-13-3-11-24-26)21(28)25-19-7-5-17(6-8-19)9-12-23-15-20(27)18-4-2-10-22-14-18/h2-8,10-11,13-14,16,20,23,27H,9,12,15H2,1H3,(H,25,28)/t16?,20-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313924
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES Cc1ccc(C)c(c1)C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 |r|
Show InChI InChI=1S/C24H27N3O2/c1-17-5-6-18(2)22(14-17)24(29)27-21-9-7-19(8-10-21)11-13-26-16-23(28)20-4-3-12-25-15-20/h3-10,12,14-15,23,26,28H,11,13,16H2,1-2H3,(H,27,29)/t23-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313948
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES Cc1ccn(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)n1 |r|
Show InChI InChI=1S/C21H25N5O2/c1-16-9-12-26(25-16)15-21(28)24-19-6-4-17(5-7-19)8-11-23-14-20(27)18-3-2-10-22-13-18/h2-7,9-10,12-13,20,23,27H,8,11,14-15H2,1H3,(H,24,28)/t20-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50378709
PNG
(CHEMBL1204416)
Show SMILES CC(C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)n1cccn1
Show InChI InChI=1S/C21H25N5O2/c1-16(26-13-3-11-24-26)21(28)25-19-7-5-17(6-8-19)9-12-23-15-20(27)18-4-2-10-22-14-18/h2-8,10-11,13-14,16,20,23,27H,9,12,15H2,1H3,(H,25,28)/t16?,20-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313940
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES Cc1nnc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)[nH]1 |r|
Show InChI InChI=1S/C20H24N6O2/c1-14-23-19(26-25-14)11-20(28)24-17-6-4-15(5-7-17)8-10-22-13-18(27)16-3-2-9-21-12-16/h2-7,9,12,18,22,27H,8,10-11,13H2,1H3,(H,24,28)(H,23,25,26)/t18-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313932
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cn2cncn2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C19H22N6O2/c26-18(16-2-1-8-20-10-16)11-21-9-7-15-3-5-17(6-4-15)24-19(27)12-25-14-22-13-23-25/h1-6,8,10,13-14,18,21,26H,7,9,11-12H2,(H,24,27)/t18-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313944
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES Cn1c(CCC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)nc2ccccc12 |r|
Show InChI InChI=1S/C26H29N5O2/c1-31-23-7-3-2-6-22(23)30-25(31)12-13-26(33)29-21-10-8-19(9-11-21)14-16-28-18-24(32)20-5-4-15-27-17-20/h2-11,15,17,24,28,32H,12-14,16,18H2,1H3,(H,29,33)/t24-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313949
PNG
((R)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-(2-(2-hy...)
Show SMILES Cc1cc(C)n(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)n1 |r|
Show InChI InChI=1S/C22H27N5O2/c1-16-12-17(2)27(26-16)15-22(29)25-20-7-5-18(6-8-20)9-11-24-14-21(28)19-4-3-10-23-13-19/h3-8,10,12-13,21,24,28H,9,11,14-15H2,1-2H3,(H,25,29)/t21-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313940
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES Cc1nnc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)[nH]1 |r|
Show InChI InChI=1S/C20H24N6O2/c1-14-23-19(26-25-14)11-20(28)24-17-6-4-15(5-7-17)8-10-22-13-18(27)16-3-2-9-21-12-16/h2-7,9,12,18,22,27H,8,10-11,13H2,1H3,(H,24,28)(H,23,25,26)/t18-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313924
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES Cc1ccc(C)c(c1)C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 |r|
Show InChI InChI=1S/C24H27N3O2/c1-17-5-6-18(2)22(14-17)24(29)27-21-9-7-19(8-10-21)11-13-26-16-23(28)20-4-3-12-25-15-20/h3-10,12,14-15,23,26,28H,11,13,16H2,1-2H3,(H,27,29)/t23-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313947
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cn2cccn2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C20H23N5O2/c26-19(17-3-1-9-21-13-17)14-22-11-8-16-4-6-18(7-5-16)24-20(27)15-25-12-2-10-23-25/h1-7,9-10,12-13,19,22,26H,8,11,14-15H2,(H,24,27)/t19-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313954
PNG
(2-(2-aminothiazol-4-yl)-N-(4-(2-((R)-2-hydroxy-2-(...)
Show SMILES CC(C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1csc(N)n1 |r|
Show InChI InChI=1S/C21H25N5O2S/c1-14(18-13-29-21(22)26-18)20(28)25-17-6-4-15(5-7-17)8-10-24-12-19(27)16-3-2-9-23-11-16/h2-7,9,11,13-14,19,24,27H,8,10,12H2,1H3,(H2,22,26)(H,25,28)/t14?,19-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313947
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cn2cccn2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C20H23N5O2/c26-19(17-3-1-9-21-13-17)14-22-11-8-16-4-6-18(7-5-16)24-20(27)15-25-12-2-10-23-25/h1-7,9-10,12-13,19,22,26H,8,11,14-15H2,(H,24,27)/t19-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313965
PNG
((R)-2-(furan-2-yl)-N-(4-(2-(2-hydroxy-2-(pyridin-3...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2-c2ccco2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C26H25N3O3/c30-24(20-5-3-14-27-17-20)18-28-15-13-19-9-11-21(12-10-19)29-26(31)23-7-2-1-6-22(23)25-8-4-16-32-25/h1-12,14,16-17,24,28,30H,13,15,18H2,(H,29,31)/t24-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313946
PNG
((R)-2-(4,5-diphenyl-1H-pyrazol-1-yl)-N-(4-(2-(2-hy...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cn2ncc(c2-c2ccccc2)-c2ccccc2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C32H31N5O2/c38-30(27-12-7-18-33-20-27)22-34-19-17-24-13-15-28(16-14-24)36-31(39)23-37-32(26-10-5-2-6-11-26)29(21-35-37)25-8-3-1-4-9-25/h1-16,18,20-21,30,34,38H,17,19,22-23H2,(H,36,39)/t30-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313953
PNG
(2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-(2-((R)-2-hy...)
Show SMILES CC(C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)n1nc(C)cc1C |r|
Show InChI InChI=1S/C23H29N5O2/c1-16-13-17(2)28(27-16)18(3)23(30)26-21-8-6-19(7-9-21)10-12-25-15-22(29)20-5-4-11-24-14-20/h4-9,11,13-14,18,22,25,29H,10,12,15H2,1-3H3,(H,26,30)/t18?,22-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50313919
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 |r|
Show InChI InChI=1S/C23H25N3O2/c1-17-5-2-3-7-21(17)23(28)26-20-10-8-18(9-11-20)12-14-25-16-22(27)19-6-4-13-24-15-19/h2-11,13,15,22,25,27H,12,14,16H2,1H3,(H,26,28)/t22-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313929
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cn2cc3ccccc3n2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C24H25N5O2/c30-23(19-5-3-12-25-14-19)15-26-13-11-18-7-9-21(10-8-18)27-24(31)17-29-16-20-4-1-2-6-22(20)28-29/h1-10,12,14,16,23,26,30H,11,13,15,17H2,(H,27,31)/t23-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313933
PNG
((R)-2-(3-amino-1H-1,2,4-triazol-1-yl)-N-(4-(2-(2-h...)
Show SMILES Nc1ncn(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)n1 |r|
Show InChI InChI=1S/C19H23N7O2/c20-19-23-13-26(25-19)12-18(28)24-16-5-3-14(4-6-16)7-9-22-11-17(27)15-2-1-8-21-10-15/h1-6,8,10,13,17,22,27H,7,9,11-12H2,(H2,20,25)(H,24,28)/t17-/m0/s1
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n/an/an/an/a 22n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313939
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2nnc([nH]2)-c2ccccc2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C25H26N6O2/c32-22(20-7-4-13-26-16-20)17-27-14-12-18-8-10-21(11-9-18)28-24(33)15-23-29-25(31-30-23)19-5-2-1-3-6-19/h1-11,13,16,22,27,32H,12,14-15,17H2,(H,28,33)(H,29,30,31)/t22-/m0/s1
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n/an/an/an/a 8n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313923
PNG
((R)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(...)
Show SMILES Cc1sc2ncn(CC(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)c(=O)c2c1C |r|
Show InChI InChI=1S/C25H27N5O3S/c1-16-17(2)34-24-23(16)25(33)30(15-28-24)14-22(32)29-20-7-5-18(6-8-20)9-11-27-13-21(31)19-4-3-10-26-12-19/h3-8,10,12,15,21,27,31H,9,11,13-14H2,1-2H3,(H,29,32)/t21-/m0/s1
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n/an/an/an/a 16n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313952
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES CC(C)(C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)n1cccn1 |r|
Show InChI InChI=1S/C22H27N5O2/c1-22(2,27-14-4-12-25-27)21(29)26-19-8-6-17(7-9-19)10-13-24-16-20(28)18-5-3-11-23-15-18/h3-9,11-12,14-15,20,24,28H,10,13,16H2,1-2H3,(H,26,29)/t20-/m0/s1
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n/an/an/an/a 3.77E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313942
PNG
((R)-3-(1H-benzo[d]imidazol-2-yl)-N-(4-(2-(2-hydrox...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)CCc2nc3ccccc3[nH]2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C25H27N5O2/c31-23(19-4-3-14-26-16-19)17-27-15-13-18-7-9-20(10-8-18)28-25(32)12-11-24-29-21-5-1-2-6-22(21)30-24/h1-10,14,16,23,27,31H,11-13,15,17H2,(H,28,32)(H,29,30)/t23-/m0/s1
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n/an/an/an/a 2.65E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313944
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES Cn1c(CCC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)nc2ccccc12 |r|
Show InChI InChI=1S/C26H29N5O2/c1-31-23-7-3-2-6-22(23)30-25(31)12-13-26(33)29-21-10-8-19(9-11-21)14-16-28-18-24(32)20-5-4-15-27-17-20/h2-11,15,17,24,28,32H,12-14,16,18H2,1H3,(H,29,33)/t24-/m0/s1
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n/an/an/an/a 454n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313965
PNG
((R)-2-(furan-2-yl)-N-(4-(2-(2-hydroxy-2-(pyridin-3...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2-c2ccco2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C26H25N3O3/c30-24(20-5-3-14-27-17-20)18-28-15-13-19-9-11-21(12-10-19)29-26(31)23-7-2-1-6-22(23)25-8-4-16-32-25/h1-12,14,16-17,24,28,30H,13,15,18H2,(H,29,31)/t24-/m0/s1
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n/an/an/an/a 86n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313970
PNG
((R)-3-(2-(1H-pyrrol-1-yl)ethyl)-N-(4-(2-(2-hydroxy...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2cccc(CCn3cccc3)c2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C28H30N4O2/c33-27(25-7-4-14-29-20-25)21-30-15-12-22-8-10-26(11-9-22)31-28(34)24-6-3-5-23(19-24)13-18-32-16-1-2-17-32/h1-11,14,16-17,19-20,27,30,33H,12-13,15,18,21H2,(H,31,34)/t27-/m0/s1
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n/an/an/an/a 6.90n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313971
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2cccc(c2)-c2ncc[nH]2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C25H25N5O2/c31-23(21-5-2-11-26-16-21)17-27-12-10-18-6-8-22(9-7-18)30-25(32)20-4-1-3-19(15-20)24-28-13-14-29-24/h1-9,11,13-16,23,27,31H,10,12,17H2,(H,28,29)(H,30,32)/t23-/m0/s1
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n/an/an/an/a 10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313926
PNG
((R)-2-(1H-benzo[d]imidazol-2-yl)-N-(4-(2-(2-hydrox...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2nc3ccccc3[nH]2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C24H25N5O2/c30-22(18-4-3-12-25-15-18)16-26-13-11-17-7-9-19(10-8-17)27-24(31)14-23-28-20-5-1-2-6-21(20)29-23/h1-10,12,15,22,26,30H,11,13-14,16H2,(H,27,31)(H,28,29)/t22-/m0/s1
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n/an/an/an/a 8.80n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313927
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2n[nH]c3ccccc23)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C24H25N5O2/c30-23(18-4-3-12-25-15-18)16-26-13-11-17-7-9-19(10-8-17)27-24(31)14-22-20-5-1-2-6-21(20)28-29-22/h1-10,12,15,23,26,30H,11,13-14,16H2,(H,27,31)(H,28,29)/t23-/m0/s1
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n/an/an/an/a 19n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313960
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2N2CCCC2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C26H30N4O2/c31-25(21-6-5-14-27-18-21)19-28-15-13-20-9-11-22(12-10-20)29-26(32)23-7-1-2-8-24(23)30-16-3-4-17-30/h1-2,5-12,14,18,25,28,31H,3-4,13,15-17,19H2,(H,29,32)/t25-/m0/s1
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n/an/an/an/a 67n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313962
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2-c2ncc[nH]2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C25H25N5O2/c31-23(19-4-3-12-26-16-19)17-27-13-11-18-7-9-20(10-8-18)30-25(32)22-6-2-1-5-21(22)24-28-14-15-29-24/h1-10,12,14-16,23,27,31H,11,13,17H2,(H,28,29)(H,30,32)/t23-/m0/s1
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n/an/an/an/a 21n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313975
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES Cc1ccc(C(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c(c1)N1CCCC1 |r|
Show InChI InChI=1S/C27H32N4O2/c1-20-6-11-24(25(17-20)31-15-2-3-16-31)27(33)30-23-9-7-21(8-10-23)12-14-29-19-26(32)22-5-4-13-28-18-22/h4-11,13,17-18,26,29,32H,2-3,12,14-16,19H2,1H3,(H,30,33)/t26-/m0/s1
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n/an/an/an/a 76n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313924
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES Cc1ccc(C)c(c1)C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 |r|
Show InChI InChI=1S/C24H27N3O2/c1-17-5-6-18(2)22(14-17)24(29)27-21-9-7-19(8-10-21)11-13-26-16-23(28)20-4-3-12-25-15-20/h3-10,12,14-15,23,26,28H,11,13,16H2,1-2H3,(H,27,29)/t23-/m0/s1
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n/an/an/an/a 95n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313928
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cn2ncc3ccccc23)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C24H25N5O2/c30-23(20-5-3-12-25-14-20)16-26-13-11-18-7-9-21(10-8-18)28-24(31)17-29-22-6-2-1-4-19(22)15-27-29/h1-10,12,14-15,23,26,30H,11,13,16-17H2,(H,28,31)/t23-/m0/s1
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n/an/an/an/a 48n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313936
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2csc(n2)-c2ccccc2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C26H26N4O2S/c31-24(21-7-4-13-27-16-21)17-28-14-12-19-8-10-22(11-9-19)29-25(32)15-23-18-33-26(30-23)20-5-2-1-3-6-20/h1-11,13,16,18,24,28,31H,12,14-15,17H2,(H,29,32)/t24-/m0/s1
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n/an/an/an/a 174n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313938
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2nc(cs2)-c2ccccc2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C26H26N4O2S/c31-24(21-7-4-13-27-16-21)17-28-14-12-19-8-10-22(11-9-19)29-25(32)15-26-30-23(18-33-26)20-5-2-1-3-6-20/h1-11,13,16,18,24,28,31H,12,14-15,17H2,(H,29,32)/t24-/m0/s1
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n/an/an/an/a 86n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313940
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES Cc1nnc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)[nH]1 |r|
Show InChI InChI=1S/C20H24N6O2/c1-14-23-19(26-25-14)11-20(28)24-17-6-4-15(5-7-17)8-10-22-13-18(27)16-3-2-9-21-12-16/h2-7,9,12,18,22,27H,8,10-11,13H2,1H3,(H,24,28)(H,23,25,26)/t18-/m0/s1
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n/an/an/an/a 171n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313947
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cn2cccn2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C20H23N5O2/c26-19(17-3-1-9-21-13-17)14-22-11-8-16-4-6-18(7-5-16)24-20(27)15-25-12-2-10-23-25/h1-7,9-10,12-13,19,22,26H,8,11,14-15H2,(H,24,27)/t19-/m0/s1
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n/an/an/an/a 218n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313967
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C30H31N3O2/c34-29(26-10-6-19-31-21-26)22-32-20-18-24-13-16-27(17-14-24)33-30(35)28-11-5-4-9-25(28)15-12-23-7-2-1-3-8-23/h1-11,13-14,16-17,19,21,29,32,34H,12,15,18,20,22H2,(H,33,35)/t29-/m0/s1
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n/an/an/an/a 32n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313969
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2COc2ccccc2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C29H29N3O3/c33-28(23-8-6-17-30-19-23)20-31-18-16-22-12-14-25(15-13-22)32-29(34)27-11-5-4-7-24(27)21-35-26-9-2-1-3-10-26/h1-15,17,19,28,31,33H,16,18,20-21H2,(H,32,34)/t28-/m0/s1
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n/an/an/an/a 47n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313973
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccc(CCc3ccccc3)cc2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C30H31N3O2/c34-29(27-7-4-19-31-21-27)22-32-20-18-25-12-16-28(17-13-25)33-30(35)26-14-10-24(11-15-26)9-8-23-5-2-1-3-6-23/h1-7,10-17,19,21,29,32,34H,8-9,18,20,22H2,(H,33,35)/t29-/m0/s1
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n/an/an/an/a 105n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313957
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C28H27N3O2/c32-27(23-9-6-17-29-19-23)20-30-18-16-21-12-14-24(15-13-21)31-28(33)26-11-5-4-10-25(26)22-7-2-1-3-8-22/h1-15,17,19,27,30,32H,16,18,20H2,(H,31,33)/t27-/m0/s1
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n/an/an/an/a 179n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313958
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2cccc(c2)-c2ccccc2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C28H27N3O2/c32-27(25-10-5-16-29-19-25)20-30-17-15-21-11-13-26(14-12-21)31-28(33)24-9-4-8-23(18-24)22-6-2-1-3-7-22/h1-14,16,18-19,27,30,32H,15,17,20H2,(H,31,33)/t27-/m0/s1
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n/an/an/an/a 184n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313932
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cn2cncn2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C19H22N6O2/c26-18(16-2-1-8-20-10-16)11-21-9-7-15-3-5-17(6-4-15)24-19(27)12-25-14-22-13-23-25/h1-6,8,10,13-14,18,21,26H,7,9,11-12H2,(H,24,27)/t18-/m0/s1
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n/an/an/an/a 693n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313934
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES Cc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cs1 |r|
Show InChI InChI=1S/C21H24N4O2S/c1-15-24-19(14-28-15)11-21(27)25-18-6-4-16(5-7-18)8-10-23-13-20(26)17-3-2-9-22-12-17/h2-7,9,12,14,20,23,26H,8,10-11,13H2,1H3,(H,25,27)/t20-/m0/s1
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n/an/an/an/a 103n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313922
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cn2c3ccccc3cnc2=O)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C25H25N5O3/c31-23(20-5-3-12-26-14-20)16-27-13-11-18-7-9-21(10-8-18)29-24(32)17-30-22-6-2-1-4-19(22)15-28-25(30)33/h1-10,12,14-15,23,27,31H,11,13,16-17H2,(H,29,32)/t23-/m0/s1
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n/an/an/an/a 19n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313953
PNG
(2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-(2-((R)-2-hy...)
Show SMILES CC(C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)n1nc(C)cc1C |r|
Show InChI InChI=1S/C23H29N5O2/c1-16-13-17(2)28(27-16)18(3)23(30)26-21-8-6-19(7-9-21)10-12-25-15-22(29)20-5-4-11-24-14-20/h4-9,11,13-14,18,22,25,29H,10,12,15H2,1-3H3,(H,26,30)/t18?,22-/m0/s1
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n/an/an/an/a 1.40E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313959
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C28H27N3O2/c32-27(25-7-4-17-29-19-25)20-30-18-16-21-8-14-26(15-9-21)31-28(33)24-12-10-23(11-13-24)22-5-2-1-3-6-22/h1-15,17,19,27,30,32H,16,18,20H2,(H,31,33)/t27-/m0/s1
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n/an/an/an/a 187n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313943
PNG
((R)-(1H-benzo[d]imidazol-2-yl)methyl 4-(2-(2-hydro...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)OCc2nc3ccccc3[nH]2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C24H25N5O3/c30-22(18-4-3-12-25-14-18)15-26-13-11-17-7-9-19(10-8-17)27-24(31)32-16-23-28-20-5-1-2-6-21(20)29-23/h1-10,12,14,22,26,30H,11,13,15-16H2,(H,27,31)(H,28,29)/t22-/m0/s1
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n/an/an/an/a>10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313964
PNG
((R)-2-cyclohexyl-N-(4-(2-(2-hydroxy-2-(pyridin-3-y...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2C2CCCCC2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C28H33N3O2/c32-27(23-9-6-17-29-19-23)20-30-18-16-21-12-14-24(15-13-21)31-28(33)26-11-5-4-10-25(26)22-7-2-1-3-8-22/h4-6,9-15,17,19,22,27,30,32H,1-3,7-8,16,18,20H2,(H,31,33)/t27-/m0/s1
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n/an/an/an/a 42n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313925
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2ccccc2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C23H25N3O2/c27-22(20-7-4-13-24-16-20)17-25-14-12-18-8-10-21(11-9-18)26-23(28)15-19-5-2-1-3-6-19/h1-11,13,16,22,25,27H,12,14-15,17H2,(H,26,28)/t22-/m0/s1
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n/an/an/an/a 225n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313930
PNG
((R)-2-(2H-benzo[d][1,2,3]triazol-2-yl)-N-(4-(2-(2-...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cn2nc3ccccc3n2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C23H24N6O2/c30-22(18-4-3-12-24-14-18)15-25-13-11-17-7-9-19(10-8-17)26-23(31)16-29-27-20-5-1-2-6-21(20)28-29/h1-10,12,14,22,25,30H,11,13,15-16H2,(H,26,31)/t22-/m0/s1
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n/an/an/an/a 24n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313935
PNG
((R)-2-(2-aminothiazol-4-yl)-N-(4-(2-(2-hydroxy-2-(...)
Show SMILES Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cs1 |r|
Show InChI InChI=1S/C20H23N5O2S/c21-20-25-17(13-28-20)10-19(27)24-16-5-3-14(4-6-16)7-9-23-12-18(26)15-2-1-8-22-11-15/h1-6,8,11,13,18,23,26H,7,9-10,12H2,(H2,21,25)(H,24,27)/t18-/m0/s1
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n/an/an/an/a 6.80n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313948
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES Cc1ccn(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)n1 |r|
Show InChI InChI=1S/C21H25N5O2/c1-16-9-12-26(25-16)15-21(28)24-19-6-4-17(5-7-19)8-11-23-14-20(27)18-3-2-10-22-13-18/h2-7,9-10,12-13,20,23,27H,8,11,14-15H2,1H3,(H,24,28)/t20-/m0/s1
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n/an/an/an/a 241n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313951
PNG
(CHEMBL1093385 | N-(4-(2-((R)-2-hydroxy-2-(pyridin-...)
Show SMILES CC(C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)n1cccn1 |r|
Show InChI InChI=1S/C21H25N5O2/c1-16(26-13-3-11-24-26)21(28)25-19-7-5-17(6-8-19)9-12-23-15-20(27)18-4-2-10-22-14-18/h2-8,10-11,13-14,16,20,23,27H,9,12,15H2,1H3,(H,25,28)/t16?,20-/m0/s1
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n/an/an/an/a 27n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50378709
PNG
(CHEMBL1204416)
Show SMILES CC(C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)n1cccn1
Show InChI InChI=1S/C21H25N5O2/c1-16(26-13-3-11-24-26)21(28)25-19-7-5-17(6-8-19)9-12-23-15-20(27)18-4-2-10-22-14-18/h2-8,10-11,13-14,16,20,23,27H,9,12,15H2,1H3,(H,25,28)/t16?,20-/m0/s1
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n/an/an/an/a 10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313956
PNG
((R)-2-(2,5-dimethylthiazol-4-yl)-N-(4-(2-(2-hydrox...)
Show SMILES Cc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c(C)s1 |r|
Show InChI InChI=1S/C22H26N4O2S/c1-15-20(25-16(2)29-15)12-22(28)26-19-7-5-17(6-8-19)9-11-24-14-21(27)18-4-3-10-23-13-18/h3-8,10,13,21,24,27H,9,11-12,14H2,1-2H3,(H,26,28)/t21-/m0/s1
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n/an/an/an/a 37n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313961
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2-n2nccn2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C24H24N6O2/c31-23(19-4-3-12-25-16-19)17-26-13-11-18-7-9-20(10-8-18)29-24(32)21-5-1-2-6-22(21)30-27-14-15-28-30/h1-10,12,14-16,23,26,31H,11,13,17H2,(H,29,32)/t23-/m0/s1
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n/an/an/an/a 76n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313941
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2nc3ccccc3[nH]2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C23H23N5O2/c29-21(17-4-3-12-24-14-17)15-25-13-11-16-7-9-18(10-8-16)26-23(30)22-27-19-5-1-2-6-20(19)28-22/h1-10,12,14,21,25,29H,11,13,15H2,(H,26,30)(H,27,28)/t21-/m0/s1
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n/an/an/an/a 283n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313946
PNG
((R)-2-(4,5-diphenyl-1H-pyrazol-1-yl)-N-(4-(2-(2-hy...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cn2ncc(c2-c2ccccc2)-c2ccccc2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C32H31N5O2/c38-30(27-12-7-18-33-20-27)22-34-19-17-24-13-15-28(16-14-24)36-31(39)23-37-32(26-10-5-2-6-11-26)29(21-35-37)25-8-3-1-4-9-25/h1-16,18,20-21,30,34,38H,17,19,22-23H2,(H,36,39)/t30-/m0/s1
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n/an/an/an/a 580n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313937
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES Cc1csc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)n1 |r|
Show InChI InChI=1S/C21H24N4O2S/c1-15-14-28-21(24-15)11-20(27)25-18-6-4-16(5-7-18)8-10-23-13-19(26)17-3-2-9-22-12-17/h2-7,9,12,14,19,23,26H,8,10-11,13H2,1H3,(H,25,27)/t19-/m0/s1
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n/an/an/an/a 74n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313919
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 |r|
Show InChI InChI=1S/C23H25N3O2/c1-17-5-2-3-7-21(17)23(28)26-20-10-8-18(9-11-20)12-14-25-16-22(27)19-6-4-13-24-15-19/h2-11,13,15,22,25,27H,12,14,16H2,1H3,(H,26,28)/t22-/m0/s1
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n/an/an/an/a 297n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313949
PNG
((R)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-(2-(2-hy...)
Show SMILES Cc1cc(C)n(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)n1 |r|
Show InChI InChI=1S/C22H27N5O2/c1-16-12-17(2)27(26-16)15-22(29)25-20-7-5-18(6-8-20)9-11-24-14-21(28)19-4-3-10-23-13-19/h3-8,10,12-13,21,24,28H,9,11,14-15H2,1-2H3,(H,25,29)/t21-/m0/s1
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n/an/an/an/a 123n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313950
PNG
((R)-2-(3,5-diphenyl-1H-pyrazol-1-yl)-N-(4-(2-(2-hy...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cn2nc(cc2-c2ccccc2)-c2ccccc2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C32H31N5O2/c38-31(27-12-7-18-33-21-27)22-34-19-17-24-13-15-28(16-14-24)35-32(39)23-37-30(26-10-5-2-6-11-26)20-29(36-37)25-8-3-1-4-9-25/h1-16,18,20-21,31,34,38H,17,19,22-23H2,(H,35,39)/t31-/m0/s1
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n/an/an/an/a 498n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313955
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES CNc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cs1 |r|
Show InChI InChI=1S/C21H25N5O2S/c1-22-21-26-18(14-29-21)11-20(28)25-17-6-4-15(5-7-17)8-10-24-13-19(27)16-3-2-9-23-12-16/h2-7,9,12,14,19,24,27H,8,10-11,13H2,1H3,(H,22,26)(H,25,28)/t19-/m0/s1
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n/an/an/an/a 978n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313963
PNG
((R)-2-(benzo[d]thiazol-2-yl)-N-(4-(2-(2-hydroxy-2-...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2-c2nc3ccccc3s2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C29H26N4O2S/c34-26(21-6-5-16-30-18-21)19-31-17-15-20-11-13-22(14-12-20)32-28(35)23-7-1-2-8-24(23)29-33-25-9-3-4-10-27(25)36-29/h1-14,16,18,26,31,34H,15,17,19H2,(H,32,35)/t26-/m0/s1
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n/an/an/an/a 36n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313974
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES Cc1ccc(N2CCCC2)c(c1)C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 |r|
Show InChI InChI=1S/C27H32N4O2/c1-20-6-11-25(31-15-2-3-16-31)24(17-20)27(33)30-23-9-7-21(8-10-23)12-14-29-19-26(32)22-5-4-13-28-18-22/h4-11,13,17-18,26,29,32H,2-3,12,14-16,19H2,1H3,(H,30,33)/t26-/m0/s1
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n/an/an/an/a 73n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313931
PNG
((R)-2-(benzo[d]oxazol-2-yl)-N-(4-(2-(2-hydroxy-2-(...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cc2nc3ccccc3o2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C24H24N4O3/c29-21(18-4-3-12-25-15-18)16-26-13-11-17-7-9-19(10-8-17)27-23(30)14-24-28-20-5-1-2-6-22(20)31-24/h1-10,12,15,21,26,29H,11,13-14,16H2,(H,27,30)/t21-/m0/s1
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n/an/an/an/a 21n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313920
PNG
(CHEMBL1085444 | N-(4-(2-((R)-2-hydroxy-2-(pyridin-...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)CN2CC(CC2=O)c2ccccc2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C27H30N4O3/c32-25(22-7-4-13-28-16-22)17-29-14-12-20-8-10-24(11-9-20)30-26(33)19-31-18-23(15-27(31)34)21-5-2-1-3-6-21/h1-11,13,16,23,25,29,32H,12,14-15,17-19H2,(H,30,33)/t23?,25-/m0/s1
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n/an/an/an/a 64n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313921
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C25H25N5O3/c31-23(19-4-3-12-26-14-19)15-27-13-11-18-7-9-20(10-8-18)29-24(32)16-30-17-28-22-6-2-1-5-21(22)25(30)33/h1-10,12,14,17,23,27,31H,11,13,15-16H2,(H,29,32)/t23-/m0/s1
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n/an/an/an/a 19n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50092645
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2ccc(cc2)C(F)(F)F)cc1)c1cccnc1
Show InChI InChI=1S/C31H27F3N4O3S2/c32-31(33,34)25-9-5-22(6-10-25)28-20-42-30(37-28)23-7-13-27(14-8-23)43(40,41)38-26-11-3-21(4-12-26)15-17-36-19-29(39)24-2-1-16-35-18-24/h1-14,16,18,20,29,36,38-39H,15,17,19H2/t29-/m0/s1
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n/an/an/an/a 3.60n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313954
PNG
(2-(2-aminothiazol-4-yl)-N-(4-(2-((R)-2-hydroxy-2-(...)
Show SMILES CC(C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1csc(N)n1 |r|
Show InChI InChI=1S/C21H25N5O2S/c1-14(18-13-29-21(22)26-18)20(28)25-17-6-4-15(5-7-17)8-10-24-12-19(27)16-3-2-9-23-11-16/h2-7,9,11,13-14,19,24,27H,8,10,12H2,1H3,(H2,22,26)(H,25,28)/t14?,19-/m0/s1
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n/an/an/an/a 1.90n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313945
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2cccc3ccnn23)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C23H23N5O2/c29-22(18-3-2-12-24-15-18)16-25-13-10-17-6-8-19(9-7-17)27-23(30)21-5-1-4-20-11-14-26-28(20)21/h1-9,11-12,14-15,22,25,29H,10,13,16H2,(H,27,30)/t22-/m0/s1
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n/an/an/an/a 261n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313966
PNG
((R)-2-(2-(1H-pyrrol-1-yl)ethyl)-N-(4-(2-(2-hydroxy...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2CCn2cccc2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C28H30N4O2/c33-27(24-7-5-15-29-20-24)21-30-16-13-22-9-11-25(12-10-22)31-28(34)26-8-2-1-6-23(26)14-19-32-17-3-4-18-32/h1-12,15,17-18,20,27,30,33H,13-14,16,19,21H2,(H,31,34)/t27-/m0/s1
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n/an/an/an/a 24n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313968
PNG
((R)-2-(1H-benzo[d]imidazol-2-yl)-N-(4-(2-(2-hydrox...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2-c2nc3ccccc3[nH]2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C29H27N5O2/c35-27(21-6-5-16-30-18-21)19-31-17-15-20-11-13-22(14-12-20)32-29(36)24-8-2-1-7-23(24)28-33-25-9-3-4-10-26(25)34-28/h1-14,16,18,27,31,35H,15,17,19H2,(H,32,36)(H,33,34)/t27-/m0/s1
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n/an/an/an/a 35n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50313972
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2cccc(CCc3ccccc3)c2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C30H31N3O2/c34-29(27-10-5-18-31-21-27)22-32-19-17-24-13-15-28(16-14-24)33-30(35)26-9-4-8-25(20-26)12-11-23-6-2-1-3-7-23/h1-10,13-16,18,20-21,29,32,34H,11-12,17,19,22H2,(H,33,35)/t29-/m0/s1
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n/an/an/an/a 37n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%