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PubMed code 17533126

Compile data set for download or QSAR
Found 78 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-3 adrenergic receptor


(Homo sapiens (human))
BDBM50214244
PNG
(CHEMBL250978 | N-(5-((R)-4-((R)-1-(3,4-dimethoxyph...)
Show SMILES COc1ccc(cc1OC)[C@@H](Cc1ccccc1)NC[C@H](O)CC(=O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C27H32N2O7S/c1-35-26-12-10-19(15-27(26)36-2)22(13-18-7-5-4-6-8-18)28-17-21(30)16-25(32)20-9-11-24(31)23(14-20)29-37(3,33)34/h4-12,14-15,21-22,28-31H,13,16-17H2,1-3H3/t21-,22-/m1/s1
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3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50214246
PNG
(CHEMBL401135 | N-(5-((R)-4-((R)-1-(4-(difluorometh...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)C(=O)C[C@@H](O)CN[C@H](Cc1ccccc1)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C26H28F2N2O6S/c1-37(34,35)30-23-14-19(9-12-24(23)32)25(33)15-20(31)16-29-22(13-17-5-3-2-4-6-17)18-7-10-21(11-8-18)36-26(27)28/h2-12,14,20,22,26,29-32H,13,15-16H2,1H3/t20-,22-/m1/s1
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5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50214213
PNG
(CHEMBL399329 | N-(5-((S)-3-((R)-1-(3,4-dimethoxyph...)
Show SMILES COc1ccc(cc1OC)[C@@H](Cc1ccccc1)NC[C@@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C26H32N2O6S/c1-33-25-12-10-20(16-26(25)34-2)22(14-18-7-5-4-6-8-18)27-17-21(29)13-19-9-11-24(30)23(15-19)28-35(3,31)32/h4-12,15-16,21-22,27-30H,13-14,17H2,1-3H3/t21-,22+/m0/s1
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6n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50214234
PNG
(CHEMBL250755 | N-(5-((S)-3-((R)-2-(3-chlorophenyl)...)
Show SMILES COc1ccc(cc1OC)[C@@H](Cc1cccc(Cl)c1)NC[C@@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C26H31ClN2O6S/c1-34-25-10-8-19(15-26(25)35-2)22(13-17-5-4-6-20(27)11-17)28-16-21(30)12-18-7-9-24(31)23(14-18)29-36(3,32)33/h4-11,14-15,21-22,28-31H,12-13,16H2,1-3H3/t21-,22+/m0/s1
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6n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50214242
PNG
(CHEMBL447786 | N-(5-((R)-3-((S)-3-(2-chlorophenyl)...)
Show SMILES COc1ccc(cc1OC)[C@H](CCc1ccccc1Cl)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C27H33ClN2O6S/c1-35-26-13-10-20(16-27(26)36-2)23(11-9-19-6-4-5-7-22(19)28)29-17-21(31)14-18-8-12-25(32)24(15-18)30-37(3,33)34/h4-8,10,12-13,15-16,21,23,29-32H,9,11,14,17H2,1-3H3/t21-,23+/m1/s1
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7n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50214240
PNG
((R)-N-(2-hydroxy-5-(1-hydroxy-2-(2-(4-methoxypheny...)
Show SMILES COc1ccc(cc1)C(C)(C)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C19H26N2O5S/c1-19(2,14-6-8-15(26-3)9-7-14)20-12-18(23)13-5-10-17(22)16(11-13)21-27(4,24)25/h5-11,18,20-23H,12H2,1-4H3/t18-/m0/s1
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7n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50214248
PNG
(CHEMBL437578 | N-(5-((S)-3-((R)-2-(2-chlorophenyl)...)
Show SMILES COc1ccc(cc1OC)[C@@H](Cc1ccccc1Cl)NC[C@@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C26H31ClN2O6S/c1-34-25-11-9-19(15-26(25)35-2)22(14-18-6-4-5-7-21(18)27)28-16-20(30)12-17-8-10-24(31)23(13-17)29-36(3,32)33/h4-11,13,15,20,22,28-31H,12,14,16H2,1-3H3/t20-,22+/m0/s1
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7n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50214237
PNG
(CHEMBL400947 | N-(2-hydroxy-5-((S)-2-hydroxy-3-((R...)
Show SMILES COc1ccc(cc1O)[C@@H](Cc1ccccc1)NC[C@@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C25H30N2O6S/c1-33-25-11-9-19(15-24(25)30)21(13-17-6-4-3-5-7-17)26-16-20(28)12-18-8-10-23(29)22(14-18)27-34(2,31)32/h3-11,14-15,20-21,26-30H,12-13,16H2,1-2H3/t20-,21+/m0/s1
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8n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50214228
PNG
(CHEMBL400067 | N-(5-((R)-3-((S)-1-(3,4-dimethoxyph...)
Show SMILES COc1ccc(cc1OC)[C@H](CCc1ccccc1)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C27H34N2O6S/c1-34-26-14-11-21(17-27(26)35-2)23(12-9-19-7-5-4-6-8-19)28-18-22(30)15-20-10-13-25(31)24(16-20)29-36(3,32)33/h4-8,10-11,13-14,16-17,22-23,28-31H,9,12,15,18H2,1-3H3/t22-,23+/m1/s1
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9n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50214225
PNG
(CHEMBL398557 | N-(5-((S)-3-((S)-1-(3,4-dimethoxyph...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1ccccc1)NC[C@@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C26H32N2O6S/c1-33-25-12-10-20(16-26(25)34-2)22(14-18-7-5-4-6-8-18)27-17-21(29)13-19-9-11-24(30)23(15-19)28-35(3,31)32/h4-12,15-16,21-22,27-30H,13-14,17H2,1-3H3/t21-,22-/m0/s1
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9n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50106810
PNG
(CHEMBL317621 | N-(5-((R)-2-((R)-1-(3,4-dimethoxyph...)
Show SMILES COc1ccc(cc1OC)[C@@H](Cc1ccccc1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C25H30N2O6S/c1-32-24-12-10-18(15-25(24)33-2)20(13-17-7-5-4-6-8-17)26-16-23(29)19-9-11-22(28)21(14-19)27-34(3,30)31/h4-12,14-15,20,23,26-29H,13,16H2,1-3H3/t20-,23+/m1/s1
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11n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50214227
PNG
(CHEMBL251764 | N-(5-((R)-3-((S)-3-(4-chlorophenyl)...)
Show SMILES COc1ccc(cc1OC)[C@H](CCc1ccc(Cl)cc1)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C27H33ClN2O6S/c1-35-26-13-8-20(16-27(26)36-2)23(11-6-18-4-9-21(28)10-5-18)29-17-22(31)14-19-7-12-25(32)24(15-19)30-37(3,33)34/h4-5,7-10,12-13,15-16,22-23,29-32H,6,11,14,17H2,1-3H3/t22-,23+/m1/s1
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12n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50214233
PNG
(CHEMBL250553 | N-(5-((S)-3-((R)-1-(3,4-bis(difluor...)
Show SMILES CS(=O)(=O)Nc1cc(C[C@H](O)CN[C@H](Cc2ccccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1O
Show InChI InChI=1S/C26H28F4N2O6S/c1-39(35,36)32-21-13-17(7-9-22(21)34)11-19(33)15-31-20(12-16-5-3-2-4-6-16)18-8-10-23(37-25(27)28)24(14-18)38-26(29)30/h2-10,13-14,19-20,25-26,31-34H,11-12,15H2,1H3/t19-,20+/m0/s1
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19n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50106829
PNG
(BMS-196085 | CHEMBL322862 | N-(5-((R)-2-((R)-1-(4-...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CN[C@H](Cc1ccccc1)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C24H26F2N2O5S/c1-34(31,32)28-21-14-18(9-12-22(21)29)23(30)15-27-20(13-16-5-3-2-4-6-16)17-7-10-19(11-8-17)33-24(25)26/h2-12,14,20,23-24,27-30H,13,15H2,1H3/t20-,23+/m1/s1
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21n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50214245
PNG
(CHEMBL429665 | N-(5-((S)-3-((R)-2-(4-chlorophenyl)...)
Show SMILES COc1ccc(cc1OC)[C@@H](Cc1ccc(Cl)cc1)NC[C@@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C26H31ClN2O6S/c1-34-25-11-7-19(15-26(25)35-2)22(13-17-4-8-20(27)9-5-17)28-16-21(30)12-18-6-10-24(31)23(14-18)29-36(3,32)33/h4-11,14-15,21-22,28-31H,12-13,16H2,1-3H3/t21-,22+/m0/s1
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24n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50214225
PNG
(CHEMBL398557 | N-(5-((S)-3-((S)-1-(3,4-dimethoxyph...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1ccccc1)NC[C@@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C26H32N2O6S/c1-33-25-12-10-20(16-26(25)34-2)22(14-18-7-5-4-6-8-18)27-17-21(29)13-19-9-11-24(30)23(15-19)28-35(3,31)32/h4-12,15-16,21-22,27-30H,13-14,17H2,1-3H3/t21-,22-/m0/s1
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24n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human cloned adrenergic beta-2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50214212
PNG
(CHEMBL248548 | N-(5-((R)-3-((R)-1-(3,4-dimethoxyph...)
Show SMILES COc1ccc(cc1OC)[C@@H](Cc1ccccc1)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C26H32N2O6S/c1-33-25-12-10-20(16-26(25)34-2)22(14-18-7-5-4-6-8-18)27-17-21(29)13-19-9-11-24(30)23(15-19)28-35(3,31)32/h4-12,15-16,21-22,27-30H,13-14,17H2,1-3H3/t21-,22-/m1/s1
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25n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50214224
PNG
(CHEMBL398241 | N-(5-((R)-3-((S)-3-(3-chlorophenyl)...)
Show SMILES COc1ccc(cc1OC)[C@H](CCc1cccc(Cl)c1)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C27H33ClN2O6S/c1-35-26-12-9-20(16-27(26)36-2)23(10-7-18-5-4-6-21(28)13-18)29-17-22(31)14-19-8-11-25(32)24(15-19)30-37(3,33)34/h4-6,8-9,11-13,15-16,22-23,29-32H,7,10,14,17H2,1-3H3/t22-,23+/m1/s1
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26n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human cloned adrenergic beta-2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50214224
PNG
(CHEMBL398241 | N-(5-((R)-3-((S)-3-(3-chlorophenyl)...)
Show SMILES COc1ccc(cc1OC)[C@H](CCc1cccc(Cl)c1)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C27H33ClN2O6S/c1-35-26-12-9-20(16-27(26)36-2)23(10-7-18-5-4-6-21(28)13-18)29-17-22(31)14-19-8-11-25(32)24(15-19)30-37(3,33)34/h4-6,8-9,11-13,15-16,22-23,29-32H,7,10,14,17H2,1-3H3/t22-,23+/m1/s1
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29n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50214223
PNG
(CHEMBL251347 | N-(2-hydroxy-5-((R)-2-hydroxy-3-((S...)
Show SMILES COc1ccc(cc1)[C@H](CCc1ccccc1)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C26H32N2O5S/c1-33-23-12-10-21(11-13-23)24(14-8-19-6-4-3-5-7-19)27-18-22(29)16-20-9-15-26(30)25(17-20)28-34(2,31)32/h3-7,9-13,15,17,22,24,27-30H,8,14,16,18H2,1-2H3/t22-,24+/m1/s1
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31n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50214231
PNG
(CHEMBL249359 | N-(5-((S)-3-((R)-1-(3,4-dichlorophe...)
Show SMILES CS(=O)(=O)Nc1cc(C[C@H](O)CN[C@H](Cc2ccccc2)c2ccc(Cl)c(Cl)c2)ccc1O
Show InChI InChI=1S/C24H26Cl2N2O4S/c1-33(31,32)28-23-13-17(7-10-24(23)30)11-19(29)15-27-22(12-16-5-3-2-4-6-16)18-8-9-20(25)21(26)14-18/h2-10,13-14,19,22,27-30H,11-12,15H2,1H3/t19-,22+/m0/s1
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38n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human cloned adrenergic beta-2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50214215
PNG
(CHEMBL251581 | N-(2-hydroxy-5-((S)-2-hydroxy-3-((R...)
Show SMILES COc1ccc(cc1)[C@@H](Cc1ccccc1)NC[C@@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C25H30N2O5S/c1-32-22-11-9-20(10-12-22)23(15-18-6-4-3-5-7-18)26-17-21(28)14-19-8-13-25(29)24(16-19)27-33(2,30)31/h3-13,16,21,23,26-29H,14-15,17H2,1-2H3/t21-,23+/m0/s1
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53n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50214242
PNG
(CHEMBL447786 | N-(5-((R)-3-((S)-3-(2-chlorophenyl)...)
Show SMILES COc1ccc(cc1OC)[C@H](CCc1ccccc1Cl)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C27H33ClN2O6S/c1-35-26-13-10-20(16-27(26)36-2)23(11-9-19-6-4-5-7-22(19)28)29-17-21(31)14-18-8-12-25(32)24(15-18)30-37(3,33)34/h4-8,10,12-13,15-16,21,23,29-32H,9,11,14,17H2,1-3H3/t21-,23+/m1/s1
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57n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human cloned adrenergic beta-2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50214220
PNG
(CHEMBL251555 | N-(5-((R)-3-((S)-1-(3,4-bis(difluor...)
Show SMILES CS(=O)(=O)Nc1cc(C[C@@H](O)CN[C@@H](CCc2ccccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1O
Show InChI InChI=1S/C27H30F4N2O6S/c1-40(36,37)33-22-14-18(8-11-23(22)35)13-20(34)16-32-21(10-7-17-5-3-2-4-6-17)19-9-12-24(38-26(28)29)25(15-19)39-27(30)31/h2-6,8-9,11-12,14-15,20-21,26-27,32-35H,7,10,13,16H2,1H3/t20-,21+/m1/s1
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59n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50214213
PNG
(CHEMBL399329 | N-(5-((S)-3-((R)-1-(3,4-dimethoxyph...)
Show SMILES COc1ccc(cc1OC)[C@@H](Cc1ccccc1)NC[C@@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C26H32N2O6S/c1-33-25-12-10-20(16-26(25)34-2)22(14-18-7-5-4-6-8-18)27-17-21(29)13-19-9-11-24(30)23(15-19)28-35(3,31)32/h4-12,15-16,21-22,27-30H,13-14,17H2,1-3H3/t21-,22+/m0/s1
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66n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human cloned adrenergic beta-2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50214220
PNG
(CHEMBL251555 | N-(5-((R)-3-((S)-1-(3,4-bis(difluor...)
Show SMILES CS(=O)(=O)Nc1cc(C[C@@H](O)CN[C@@H](CCc2ccccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1O
Show InChI InChI=1S/C27H30F4N2O6S/c1-40(36,37)33-22-14-18(8-11-23(22)35)13-20(34)16-32-21(10-7-17-5-3-2-4-6-17)19-9-12-24(38-26(28)29)25(15-19)39-27(30)31/h2-6,8-9,11-12,14-15,20-21,26-27,32-35H,7,10,13,16H2,1H3/t20-,21+/m1/s1
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71n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human cloned adrenergic beta-2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50148502
PNG
((R)-(S)-2-[2-Hydroxy-2-((R)-4-hydroxy-3-methanesul...)
Show SMILES COc1ccc(cc1)[C@H](NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C24H27N3O6S/c1-33-19-11-8-16(9-12-19)23(24(30)26-18-6-4-3-5-7-18)25-15-22(29)17-10-13-21(28)20(14-17)27-34(2,31)32/h3-14,22-23,25,27-29H,15H2,1-2H3,(H,26,30)/t22-,23-/m0/s1
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77n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50106820
PNG
((R)-N-(5-(2-(bis(4-methoxyphenyl)methylamino)-1-hy...)
Show SMILES COc1ccc(cc1)C(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)c1ccc(OC)cc1
Show InChI InChI=1S/C24H28N2O6S/c1-31-19-9-4-16(5-10-19)24(17-6-11-20(32-2)12-7-17)25-15-23(28)18-8-13-22(27)21(14-18)26-33(3,29)30/h4-14,23-28H,15H2,1-3H3/t23-/m0/s1
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81n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50214233
PNG
(CHEMBL250553 | N-(5-((S)-3-((R)-1-(3,4-bis(difluor...)
Show SMILES CS(=O)(=O)Nc1cc(C[C@H](O)CN[C@H](Cc2ccccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1O
Show InChI InChI=1S/C26H28F4N2O6S/c1-39(35,36)32-21-13-17(7-9-22(21)34)11-19(33)15-31-20(12-16-5-3-2-4-6-16)18-8-10-23(37-25(27)28)24(14-18)38-26(29)30/h2-10,13-14,19-20,25-26,31-34H,11-12,15H2,1H3/t19-,20+/m0/s1
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102n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human cloned adrenergic beta-2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50214235
PNG
(CHEMBL398322 | N-(2-hydroxy-5-((S)-2-hydroxy-3-((R...)
Show SMILES COc1cccc(c1)[C@@H](Cc1ccccc1)NC[C@@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C25H30N2O5S/c1-32-22-10-6-9-20(16-22)23(14-18-7-4-3-5-8-18)26-17-21(28)13-19-11-12-25(29)24(15-19)27-33(2,30)31/h3-12,15-16,21,23,26-29H,13-14,17H2,1-2H3/t21-,23+/m0/s1
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110n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50214227
PNG
(CHEMBL251764 | N-(5-((R)-3-((S)-3-(4-chlorophenyl)...)
Show SMILES COc1ccc(cc1OC)[C@H](CCc1ccc(Cl)cc1)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C27H33ClN2O6S/c1-35-26-13-8-20(16-27(26)36-2)23(11-6-18-4-9-21(28)10-5-18)29-17-22(31)14-19-7-12-25(32)24(15-19)30-37(3,33)34/h4-5,7-10,12-13,15-16,22-23,29-32H,6,11,14,17H2,1-3H3/t22-,23+/m1/s1
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120n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human cloned adrenergic beta-2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50214231
PNG
(CHEMBL249359 | N-(5-((S)-3-((R)-1-(3,4-dichlorophe...)
Show SMILES CS(=O)(=O)Nc1cc(C[C@H](O)CN[C@H](Cc2ccccc2)c2ccc(Cl)c(Cl)c2)ccc1O
Show InChI InChI=1S/C24H26Cl2N2O4S/c1-33(31,32)28-23-13-17(7-10-24(23)30)11-19(29)15-27-22(12-16-5-3-2-4-6-16)18-8-9-20(25)21(26)14-18/h2-10,13-14,19,22,27-30H,11-12,15H2,1H3/t19-,22+/m0/s1
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133n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50214216
PNG
(CHEMBL440961 | N-(5-((R)-3-((S)-1-(3,4-dimethoxyph...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1ccccc1)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C26H32N2O6S/c1-33-25-12-10-20(16-26(25)34-2)22(14-18-7-5-4-6-8-18)27-17-21(29)13-19-9-11-24(30)23(15-19)28-35(3,31)32/h4-12,15-16,21-22,27-30H,13-14,17H2,1-3H3/t21-,22+/m1/s1
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150n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50214218
PNG
(CHEMBL251370 | N-(5-((R)-4-((R)-1-(3,4-dimethoxyph...)
Show SMILES COc1ccc(cc1OC)[C@@H](Cc1ccccc1)NC[C@H](O)CCc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C27H34N2O6S/c1-34-26-14-11-21(17-27(26)35-2)23(15-19-7-5-4-6-8-19)28-18-22(30)12-9-20-10-13-25(31)24(16-20)29-36(3,32)33/h4-8,10-11,13-14,16-17,22-23,28-31H,9,12,15,18H2,1-3H3/t22-,23-/m1/s1
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160n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50214236
PNG
((S)-N-(5-(3-(1,3-bis(3,4-dimethoxyphenyl)propan-2-...)
Show SMILES COc1ccc(CC(Cc2ccc(OC)c(OC)c2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC
Show InChI InChI=1S/C29H38N2O8S/c1-36-26-10-7-19(16-28(26)38-3)12-22(13-20-8-11-27(37-2)29(17-20)39-4)30-18-23(32)14-21-6-9-25(33)24(15-21)31-40(5,34)35/h6-11,15-17,22-23,30-33H,12-14,18H2,1-5H3/t23-/m0/s1
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170n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50214238
PNG
((R)-N-(2-fluoro-6-hydroxy-3-(1-hydroxy-2-(2-(4-met...)
Show SMILES COc1ccc(cc1)C(C)(C)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1F
Show InChI InChI=1S/C19H25FN2O5S/c1-19(2,12-5-7-13(27-3)8-6-12)21-11-16(24)14-9-10-15(23)18(17(14)20)22-28(4,25)26/h5-10,16,21-24H,11H2,1-4H3/t16-/m0/s1
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200n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50214226
PNG
(CHEMBL251554 | N-(2-hydroxy-5-((R)-2-hydroxy-3-((S...)
Show SMILES COc1cccc(c1)[C@H](CCc1ccccc1)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C26H32N2O5S/c1-33-23-10-6-9-21(17-23)24(13-11-19-7-4-3-5-8-19)27-18-22(29)15-20-12-14-26(30)25(16-20)28-34(2,31)32/h3-10,12,14,16-17,22,24,27-30H,11,13,15,18H2,1-2H3/t22-,24+/m1/s1
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200n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human cloned adrenergic beta-2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50214242
PNG
(CHEMBL447786 | N-(5-((R)-3-((S)-3-(2-chlorophenyl)...)
Show SMILES COc1ccc(cc1OC)[C@H](CCc1ccccc1Cl)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C27H33ClN2O6S/c1-35-26-13-10-20(16-27(26)36-2)23(11-9-19-6-4-5-7-22(19)28)29-17-21(31)14-18-8-12-25(32)24(15-18)30-37(3,33)34/h4-8,10,12-13,15-16,21,23,29-32H,9,11,14,17H2,1-3H3/t21-,23+/m1/s1
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270n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human cloned adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50214232
PNG
(CHEMBL251361 | N-(3-((R)-2-((R)-1-(4-(difluorometh...)
Show SMILES CS(=O)(=O)Nc1c(O)ccc([C@@H](O)CN[C@H](Cc2ccccc2)c2ccc(OC(F)F)cc2)c1F
Show InChI InChI=1S/C24H25F3N2O5S/c1-35(32,33)29-23-20(30)12-11-18(22(23)25)21(31)14-28-19(13-15-5-3-2-4-6-15)16-7-9-17(10-8-16)34-24(26)27/h2-12,19,21,24,28-31H,13-14H2,1H3/t19-,21+/m1/s1
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270n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50214223
PNG
(CHEMBL251347 | N-(2-hydroxy-5-((R)-2-hydroxy-3-((S...)
Show SMILES COc1ccc(cc1)[C@H](CCc1ccccc1)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C26H32N2O5S/c1-33-23-12-10-21(11-13-23)24(14-8-19-6-4-3-5-7-19)27-18-22(29)16-20-9-15-26(30)25(17-20)28-34(2,31)32/h3-7,9-13,15,17,22,24,27-30H,8,14,16,18H2,1-2H3/t22-,24+/m1/s1
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280n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human cloned adrenergic beta-2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50214247
PNG
((S)-N-(5-(3-(bis(4-(difluoromethoxy)phenyl)methyla...)
Show SMILES CS(=O)(=O)Nc1cc(C[C@H](O)CNC(c2ccc(OC(F)F)cc2)c2ccc(OC(F)F)cc2)ccc1O
Show InChI InChI=1S/C25H26F4N2O6S/c1-38(34,35)31-21-13-15(2-11-22(21)33)12-18(32)14-30-23(16-3-7-19(8-4-16)36-24(26)27)17-5-9-20(10-6-17)37-25(28)29/h2-11,13,18,23-25,30-33H,12,14H2,1H3/t18-/m0/s1
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340n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50214235
PNG
(CHEMBL398322 | N-(2-hydroxy-5-((S)-2-hydroxy-3-((R...)
Show SMILES COc1cccc(c1)[C@@H](Cc1ccccc1)NC[C@@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C25H30N2O5S/c1-32-22-10-6-9-20(16-22)23(14-18-7-4-3-5-8-18)26-17-21(28)13-19-11-12-25(29)24(15-19)27-33(2,30)31/h3-12,15-16,21,23,26-29H,13-14,17H2,1-2H3/t21-,23+/m0/s1
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350n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human cloned adrenergic beta-2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50214219
PNG
((R)-N-(5-(4-(4-methoxybenzylamino)-3-hydroxybutano...)
Show SMILES COc1ccc(CNC[C@H](O)CC(=O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1
Show InChI InChI=1S/C19H24N2O6S/c1-27-16-6-3-13(4-7-16)11-20-12-15(22)10-19(24)14-5-8-18(23)17(9-14)21-28(2,25)26/h3-9,15,20-23H,10-12H2,1-2H3/t15-/m1/s1
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360n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50214228
PNG
(CHEMBL400067 | N-(5-((R)-3-((S)-1-(3,4-dimethoxyph...)
Show SMILES COc1ccc(cc1OC)[C@H](CCc1ccccc1)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C27H34N2O6S/c1-34-26-14-11-21(17-27(26)35-2)23(12-9-19-7-5-4-6-8-19)28-18-22(30)15-20-10-13-25(31)24(16-20)29-36(3,32)33/h4-8,10-11,13-14,16-17,22-23,28-31H,9,12,15,18H2,1-3H3/t22-,23+/m1/s1
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390n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human cloned adrenergic beta-2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50214226
PNG
(CHEMBL251554 | N-(2-hydroxy-5-((R)-2-hydroxy-3-((S...)
Show SMILES COc1cccc(c1)[C@H](CCc1ccccc1)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C26H32N2O5S/c1-33-23-10-6-9-21(17-23)24(13-11-19-7-4-3-5-8-19)27-18-22(29)15-20-12-14-26(30)25(16-20)28-34(2,31)32/h3-10,12,14,16-17,22,24,27-30H,11,13,15,18H2,1-2H3/t22-,24+/m1/s1
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390n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50214224
PNG
(CHEMBL398241 | N-(5-((R)-3-((S)-3-(3-chlorophenyl)...)
Show SMILES COc1ccc(cc1OC)[C@H](CCc1cccc(Cl)c1)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C27H33ClN2O6S/c1-35-26-12-9-20(16-27(26)36-2)23(10-7-18-5-4-6-21(28)13-18)29-17-22(31)14-19-8-11-25(32)24(15-19)30-37(3,33)34/h4-6,8-9,11-13,15-16,22-23,29-32H,7,10,14,17H2,1-3H3/t22-,23+/m1/s1
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420n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human cloned adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50214221
PNG
(CHEMBL251580 | N-(2-hydroxy-5-((R)-2-hydroxy-3-((R...)
Show SMILES COc1ccc(cc1)[C@@H](Cc1ccccc1)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C25H30N2O5S/c1-32-22-11-9-20(10-12-22)23(15-18-6-4-3-5-7-18)26-17-21(28)14-19-8-13-25(29)24(16-19)27-33(2,30)31/h3-13,16,21,23,26-29H,14-15,17H2,1-2H3/t21-,23-/m1/s1
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460n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50214220
PNG
(CHEMBL251555 | N-(5-((R)-3-((S)-1-(3,4-bis(difluor...)
Show SMILES CS(=O)(=O)Nc1cc(C[C@@H](O)CN[C@@H](CCc2ccccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1O
Show InChI InChI=1S/C27H30F4N2O6S/c1-40(36,37)33-22-14-18(8-11-23(22)35)13-20(34)16-32-21(10-7-17-5-3-2-4-6-17)19-9-12-24(38-26(28)29)25(15-19)39-27(30)31/h2-6,8-9,11-12,14-15,20-21,26-27,32-35H,7,10,13,16H2,1H3/t20-,21+/m1/s1
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490n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human cloned adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50214215
PNG
(CHEMBL251581 | N-(2-hydroxy-5-((S)-2-hydroxy-3-((R...)
Show SMILES COc1ccc(cc1)[C@@H](Cc1ccccc1)NC[C@@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C25H30N2O5S/c1-32-22-11-9-20(10-12-22)23(15-18-6-4-3-5-7-18)26-17-21(28)14-19-8-13-25(29)24(16-19)27-33(2,30)31/h3-13,16,21,23,26-29H,14-15,17H2,1-2H3/t21-,23+/m0/s1
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510n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human cloned adrenergic beta-2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50214225
PNG
(CHEMBL398557 | N-(5-((S)-3-((S)-1-(3,4-dimethoxyph...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1ccccc1)NC[C@@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C26H32N2O6S/c1-33-25-12-10-20(16-26(25)34-2)22(14-18-7-5-4-6-8-18)27-17-21(29)13-19-9-11-24(30)23(15-19)28-35(3,31)32/h4-12,15-16,21-22,27-30H,13-14,17H2,1-3H3/t21-,22-/m0/s1
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560n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human cloned adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50214226
PNG
(CHEMBL251554 | N-(2-hydroxy-5-((R)-2-hydroxy-3-((S...)
Show SMILES COc1cccc(c1)[C@H](CCc1ccccc1)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C26H32N2O5S/c1-33-23-10-6-9-21(17-23)24(13-11-19-7-4-3-5-8-19)27-18-22(29)15-20-12-14-26(30)25(16-20)28-34(2,31)32/h3-10,12,14,16-17,22,24,27-30H,11,13,15,18H2,1-2H3/t22-,24+/m1/s1
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570n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human cloned adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50214233
PNG
(CHEMBL250553 | N-(5-((S)-3-((R)-1-(3,4-bis(difluor...)
Show SMILES CS(=O)(=O)Nc1cc(C[C@H](O)CN[C@H](Cc2ccccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1O
Show InChI InChI=1S/C26H28F4N2O6S/c1-39(35,36)32-21-13-17(7-9-22(21)34)11-19(33)15-31-20(12-16-5-3-2-4-6-16)18-8-10-23(37-25(27)28)24(14-18)38-26(29)30/h2-10,13-14,19-20,25-26,31-34H,11-12,15H2,1H3/t19-,20+/m0/s1
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690n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human cloned adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50214223
PNG
(CHEMBL251347 | N-(2-hydroxy-5-((R)-2-hydroxy-3-((S...)
Show SMILES COc1ccc(cc1)[C@H](CCc1ccccc1)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C26H32N2O5S/c1-33-23-12-10-21(11-13-23)24(14-8-19-6-4-3-5-7-19)27-18-22(29)16-20-9-15-26(30)25(17-20)28-34(2,31)32/h3-7,9-13,15,17,22,24,27-30H,8,14,16,18H2,1-2H3/t22-,24+/m1/s1
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730n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human cloned adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50214216
PNG
(CHEMBL440961 | N-(5-((R)-3-((S)-1-(3,4-dimethoxyph...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1ccccc1)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C26H32N2O6S/c1-33-25-12-10-20(16-26(25)34-2)22(14-18-7-5-4-6-8-18)27-17-21(29)13-19-9-11-24(30)23(15-19)28-35(3,31)32/h4-12,15-16,21-22,27-30H,13-14,17H2,1-3H3/t21-,22+/m1/s1
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820n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human cloned adrenergic beta-2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50214217
PNG
(CHEMBL401334 | N-(5-((R)-4-((R)-1-(4-(difluorometh...)
Show SMILES CS(=O)(=O)Nc1cc(CC[C@@H](O)CN[C@H](Cc2ccccc2)c2ccc(OC(F)F)cc2)ccc1O
Show InChI InChI=1S/C26H30F2N2O5S/c1-36(33,34)30-24-16-19(8-14-25(24)32)7-11-21(31)17-29-23(15-18-5-3-2-4-6-18)20-9-12-22(13-10-20)35-26(27)28/h2-6,8-10,12-14,16,21,23,26,29-32H,7,11,15,17H2,1H3/t21-,23-/m1/s1
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880n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50214228
PNG
(CHEMBL400067 | N-(5-((R)-3-((S)-1-(3,4-dimethoxyph...)
Show SMILES COc1ccc(cc1OC)[C@H](CCc1ccccc1)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C27H34N2O6S/c1-34-26-14-11-21(17-27(26)35-2)23(12-9-19-7-5-4-6-8-19)28-18-22(30)15-20-10-13-25(31)24(16-20)29-36(3,32)33/h4-8,10-11,13-14,16-17,22-23,28-31H,9,12,15,18H2,1-3H3/t22-,23+/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human cloned adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50214227
PNG
(CHEMBL251764 | N-(5-((R)-3-((S)-3-(4-chlorophenyl)...)
Show SMILES COc1ccc(cc1OC)[C@H](CCc1ccc(Cl)cc1)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C27H33ClN2O6S/c1-35-26-13-8-20(16-27(26)36-2)23(11-6-18-4-9-21(28)10-5-18)29-17-22(31)14-19-7-12-25(32)24(15-19)30-37(3,33)34/h4-5,7-10,12-13,15-16,22-23,29-32H,6,11,14,17H2,1-3H3/t22-,23+/m1/s1
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1.05E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human cloned adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50214237
PNG
(CHEMBL400947 | N-(2-hydroxy-5-((S)-2-hydroxy-3-((R...)
Show SMILES COc1ccc(cc1O)[C@@H](Cc1ccccc1)NC[C@@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C25H30N2O6S/c1-33-25-11-9-19(15-24(25)30)21(13-17-6-4-3-5-7-17)26-16-20(28)12-18-8-10-23(29)22(14-18)27-34(2,31)32/h3-11,14-15,20-21,26-30H,12-13,16H2,1-2H3/t20-,21+/m0/s1
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1.07E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human cloned adrenergic beta-2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50214230
PNG
(CHEMBL398320 | N-(2-hydroxy-5-((R)-2-hydroxy-3-((R...)
Show SMILES COc1cccc(c1)[C@@H](Cc1ccccc1)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C25H30N2O5S/c1-32-22-10-6-9-20(16-22)23(14-18-7-4-3-5-8-18)26-17-21(28)13-19-11-12-25(29)24(15-19)27-33(2,30)31/h3-12,15-16,21,23,26-29H,13-14,17H2,1-2H3/t21-,23-/m1/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50214239
PNG
(CHEMBL250954 | N-(5-(3-(4-methoxybenzylamino)-2-hy...)
Show SMILES COc1ccc(CNCC(O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1
Show InChI InChI=1S/C18H24N2O5S/c1-25-16-6-3-13(4-7-16)11-19-12-15(21)9-14-5-8-18(22)17(10-14)20-26(2,23)24/h3-8,10,15,19-22H,9,11-12H2,1-2H3
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1.10E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50214212
PNG
(CHEMBL248548 | N-(5-((R)-3-((R)-1-(3,4-dimethoxyph...)
Show SMILES COc1ccc(cc1OC)[C@@H](Cc1ccccc1)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C26H32N2O6S/c1-33-25-12-10-20(16-26(25)34-2)22(14-18-7-5-4-6-8-18)27-17-21(29)13-19-9-11-24(30)23(15-19)28-35(3,31)32/h4-12,15-16,21-22,27-30H,13-14,17H2,1-3H3/t21-,22-/m1/s1
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1.50E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human cloned adrenergic beta-2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50214231
PNG
(CHEMBL249359 | N-(5-((S)-3-((R)-1-(3,4-dichlorophe...)
Show SMILES CS(=O)(=O)Nc1cc(C[C@H](O)CN[C@H](Cc2ccccc2)c2ccc(Cl)c(Cl)c2)ccc1O
Show InChI InChI=1S/C24H26Cl2N2O4S/c1-33(31,32)28-23-13-17(7-10-24(23)30)11-19(29)15-27-22(12-16-5-3-2-4-6-16)18-8-9-20(25)21(26)14-18/h2-10,13-14,19,22,27-30H,11-12,15H2,1H3/t19-,22+/m0/s1
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1.50E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human cloned adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50214214
PNG
((R)-N-(3-(2-(bis(4-methoxyphenyl)methylamino)-1-hy...)
Show SMILES COc1ccc(cc1)C(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1F)c1ccc(OC)cc1
Show InChI InChI=1S/C24H27FN2O6S/c1-32-17-8-4-15(5-9-17)23(16-6-10-18(33-2)11-7-16)26-14-21(29)19-12-13-20(28)24(22(19)25)27-34(3,30)31/h4-13,21,23,26-29H,14H2,1-3H3/t21-/m0/s1
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1.70E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50214213
PNG
(CHEMBL399329 | N-(5-((S)-3-((R)-1-(3,4-dimethoxyph...)
Show SMILES COc1ccc(cc1OC)[C@@H](Cc1ccccc1)NC[C@@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C26H32N2O6S/c1-33-25-12-10-20(16-26(25)34-2)22(14-18-7-5-4-6-8-18)27-17-21(29)13-19-9-11-24(30)23(15-19)28-35(3,31)32/h4-12,15-16,21-22,27-30H,13-14,17H2,1-3H3/t21-,22+/m0/s1
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2.60E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human cloned adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50214230
PNG
(CHEMBL398320 | N-(2-hydroxy-5-((R)-2-hydroxy-3-((R...)
Show SMILES COc1cccc(c1)[C@@H](Cc1ccccc1)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C25H30N2O5S/c1-32-22-10-6-9-20(16-22)23(14-18-7-4-3-5-8-18)26-17-21(28)13-19-11-12-25(29)24(15-19)27-33(2,30)31/h3-12,15-16,21,23,26-29H,13-14,17H2,1-2H3/t21-,23-/m1/s1
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2.70E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human cloned adrenergic beta-2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50214221
PNG
(CHEMBL251580 | N-(2-hydroxy-5-((R)-2-hydroxy-3-((R...)
Show SMILES COc1ccc(cc1)[C@@H](Cc1ccccc1)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C25H30N2O5S/c1-32-22-11-9-20(10-12-22)23(15-18-6-4-3-5-7-18)26-17-21(28)14-19-8-13-25(29)24(16-19)27-33(2,30)31/h3-13,16,21,23,26-29H,14-15,17H2,1-2H3/t21-,23-/m1/s1
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3.10E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human cloned adrenergic beta-2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50214237
PNG
(CHEMBL400947 | N-(2-hydroxy-5-((S)-2-hydroxy-3-((R...)
Show SMILES COc1ccc(cc1O)[C@@H](Cc1ccccc1)NC[C@@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C25H30N2O6S/c1-33-25-11-9-19(15-24(25)30)21(13-17-6-4-3-5-7-17)26-16-20(28)12-18-8-10-23(29)22(14-18)27-34(2,31)32/h3-11,14-15,20-21,26-30H,12-13,16H2,1-2H3/t20-,21+/m0/s1
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3.20E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human cloned adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50214235
PNG
(CHEMBL398322 | N-(2-hydroxy-5-((S)-2-hydroxy-3-((R...)
Show SMILES COc1cccc(c1)[C@@H](Cc1ccccc1)NC[C@@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C25H30N2O5S/c1-32-22-10-6-9-20(16-22)23(14-18-7-4-3-5-8-18)26-17-21(28)13-19-11-12-25(29)24(15-19)27-33(2,30)31/h3-12,15-16,21,23,26-29H,13-14,17H2,1-2H3/t21-,23+/m0/s1
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3.60E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human cloned adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50214241
PNG
((R)-N-(5-(4-(4-methoxybenzylamino)-3-hydroxybutyl)...)
Show SMILES COc1ccc(CNC[C@H](O)CCc2ccc(O)c(NS(C)(=O)=O)c2)cc1
Show InChI InChI=1S/C19H26N2O5S/c1-26-17-8-4-15(5-9-17)12-20-13-16(22)7-3-14-6-10-19(23)18(11-14)21-27(2,24)25/h4-6,8-11,16,20-23H,3,7,12-13H2,1-2H3/t16-/m1/s1
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PubMed
3.70E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50214215
PNG
(CHEMBL251581 | N-(2-hydroxy-5-((S)-2-hydroxy-3-((R...)
Show SMILES COc1ccc(cc1)[C@@H](Cc1ccccc1)NC[C@@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C25H30N2O5S/c1-32-22-11-9-20(10-12-22)23(15-18-6-4-3-5-7-18)26-17-21(28)14-19-8-13-25(29)24(16-19)27-33(2,30)31/h3-13,16,21,23,26-29H,14-15,17H2,1-2H3/t21-,23+/m0/s1
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PubMed
6.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human cloned adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50214222
PNG
(CHEMBL399866 | N-(5-(3-(3,4-dimethoxyphenethylamin...)
Show SMILES COc1ccc(CCNCC(O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC
Show InChI InChI=1S/C20H28N2O6S/c1-27-19-7-5-14(12-20(19)28-2)8-9-21-13-16(23)10-15-4-6-18(24)17(11-15)22-29(3,25)26/h4-7,11-12,16,21-24H,8-10,13H2,1-3H3
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PubMed
7.30E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50214230
PNG
(CHEMBL398320 | N-(2-hydroxy-5-((R)-2-hydroxy-3-((R...)
Show SMILES COc1cccc(c1)[C@@H](Cc1ccccc1)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C25H30N2O5S/c1-32-22-10-6-9-20(16-22)23(14-18-7-4-3-5-8-18)26-17-21(28)13-19-11-12-25(29)24(15-19)27-33(2,30)31/h3-12,15-16,21,23,26-29H,13-14,17H2,1-2H3/t21-,23-/m1/s1
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human cloned adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50214212
PNG
(CHEMBL248548 | N-(5-((R)-3-((R)-1-(3,4-dimethoxyph...)
Show SMILES COc1ccc(cc1OC)[C@@H](Cc1ccccc1)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C26H32N2O6S/c1-33-25-12-10-20(16-26(25)34-2)22(14-18-7-5-4-6-8-18)27-17-21(29)13-19-9-11-24(30)23(15-19)28-35(3,31)32/h4-12,15-16,21-22,27-30H,13-14,17H2,1-3H3/t21-,22-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human cloned adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50214221
PNG
(CHEMBL251580 | N-(2-hydroxy-5-((R)-2-hydroxy-3-((R...)
Show SMILES COc1ccc(cc1)[C@@H](Cc1ccccc1)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C25H30N2O5S/c1-32-22-11-9-20(10-12-22)23(15-18-6-4-3-5-7-18)26-17-21(28)14-19-8-13-25(29)24(16-19)27-33(2,30)31/h3-13,16,21,23,26-29H,14-15,17H2,1-2H3/t21-,23-/m1/s1
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human cloned adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50214243
PNG
((R)-N-(5-(4-amino-3-hydroxybutanoyl)-2-hydroxyphen...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)C(=O)C[C@@H](O)CN
Show InChI InChI=1S/C11H16N2O5S/c1-19(17,18)13-9-4-7(2-3-10(9)15)11(16)5-8(14)6-12/h2-4,8,13-15H,5-6,12H2,1H3/t8-/m1/s1
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1.50E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50214249
PNG
((R)-N-(5-(2-amino-1-hydroxyethyl)-2-hydroxyphenyl)...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CN
Show InChI InChI=1S/C9H14N2O4S/c1-16(14,15)11-7-4-6(9(13)5-10)2-3-8(7)12/h2-4,9,11-13H,5,10H2,1H3/t9-/m0/s1
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PubMed
1.70E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50214216
PNG
(CHEMBL440961 | N-(5-((R)-3-((S)-1-(3,4-dimethoxyph...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1ccccc1)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C26H32N2O6S/c1-33-25-12-10-20(16-26(25)34-2)22(14-18-7-5-4-6-8-18)27-17-21(29)13-19-9-11-24(30)23(15-19)28-35(3,31)32/h4-12,15-16,21-22,27-30H,13-14,17H2,1-3H3/t21-,22+/m1/s1
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Article
PubMed
4.70E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human cloned adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50214229
PNG
((R)-N-(3-(2-amino-1-hydroxyethyl)-2-fluoro-6-hydro...)
Show SMILES CS(=O)(=O)Nc1c(O)ccc([C@@H](O)CN)c1F
Show InChI InChI=1S/C9H13FN2O4S/c1-17(15,16)12-9-6(13)3-2-5(8(9)10)7(14)4-11/h2-3,7,12-14H,4,11H2,1H3/t7-/m0/s1
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PubMed
1.20E+5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%