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Compile Data Set for Download or QSAR

Found 70 hits with Last Name = 'hillyer' and Initial = 'de'   
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))
BDBM50106836
PNG
(CHEMBL105758 | N-(5-{(R)-2-[(R)-1-(4-Difluorometho...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CN[C@H](Cc1ccccc1)c1ccc(OC(F)F)c2ccccc12
Show InChI InChI=1S/C28H28F2N2O5S/c1-38(35,36)32-24-16-19(11-13-25(24)33)26(34)17-31-23(15-18-7-3-2-4-8-18)21-12-14-27(37-28(29)30)22-10-6-5-9-20(21)22/h2-14,16,23,26,28,31-34H,15,17H2,1H3/t23-,26+/m1/s1
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2n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol


Bioorg Med Chem Lett 11: 3041-4 (2001)


BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106852
PNG
(CHEMBL321518 | N-{5-[(R)-2-((R)-1-Benzo[1,3]dioxol...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CN[C@H](Cc1ccccc1)c1ccc2OCOc2c1
Show InChI InChI=1S/C24H26N2O6S/c1-33(29,30)26-20-12-18(7-9-21(20)27)22(28)14-25-19(11-16-5-3-2-4-6-16)17-8-10-23-24(13-17)32-15-31-23/h2-10,12-13,19,22,25-28H,11,14-15H2,1H3/t19-,22+/m1/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
Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol


Bioorg Med Chem Lett 11: 3041-4 (2001)


BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106833
PNG
(CHEMBL317648 | N-(5-{(R)-2-[(R)-1-(4-Difluorometho...)
Show SMILES C[C@](Cc1ccccc1)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C25H28F2N2O5S/c1-25(15-17-6-4-3-5-7-17,19-9-11-20(12-10-19)34-24(26)27)28-16-23(31)18-8-13-22(30)21(14-18)29-35(2,32)33/h3-14,23-24,28-31H,15-16H2,1-2H3/t23-,25+/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
Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol


Bioorg Med Chem Lett 11: 3041-4 (2001)


BindingDB Entry DOI: 10.7270/Q2794402
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
Binding affinity against CHO cells transfected with human beta-3 adrenergic receptor in the presence of [125I]iodocyanopindolol


Bioorg Med Chem Lett 11: 3035-9 (2001)


BindingDB Entry DOI: 10.7270/Q2MS3T97
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106825
PNG
(CHEMBL102611 | N-(5-{(R)-2-[(R)-1-(2,6-Dimethoxy-p...)
Show SMILES COc1ccc([C@@H](Cc2ccccc2)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c(OC)n1
Show InChI InChI=1S/C24H29N3O6S/c1-32-23-12-10-18(24(26-23)33-2)19(13-16-7-5-4-6-8-16)25-15-22(29)17-9-11-21(28)20(14-17)27-34(3,30)31/h4-12,14,19,22,25,27-29H,13,15H2,1-3H3/t19-,22+/m1/s1
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15n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol


Bioorg Med Chem Lett 11: 3041-4 (2001)


BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106823
PNG
(CHEMBL102222 | N-(5-{(R)-2-[1,1-Bis-(4-methoxy-phe...)
Show SMILES COc1ccc(cc1)C(C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)c1ccc(OC)cc1
Show InChI InChI=1S/C25H30N2O6S/c1-25(18-6-10-20(32-2)11-7-18,19-8-12-21(33-3)13-9-19)26-16-24(29)17-5-14-23(28)22(15-17)27-34(4,30)31/h5-15,24,26-29H,16H2,1-4H3/t24-/m0/s1
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20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against CHO cells transfected with human beta-3 adrenergic receptor in the presence of [125I]iodocyanopindolol


Bioorg Med Chem Lett 11: 3035-9 (2001)


BindingDB Entry DOI: 10.7270/Q2MS3T97
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
Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol


Bioorg Med Chem Lett 11: 3041-4 (2001)


BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106841
PNG
(CHEMBL102580 | N-(2-Hydroxy-5-{(R)-1-hydroxy-2-[(R...)
Show SMILES COc1ccc(cn1)[C@@H](Cc1ccccc1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C23H27N3O5S/c1-31-23-11-9-18(14-25-23)19(12-16-6-4-3-5-7-16)24-15-22(28)17-8-10-21(27)20(13-17)26-32(2,29)30/h3-11,13-14,19,22,24,26-28H,12,15H2,1-2H3/t19-,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
Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol


Bioorg Med Chem Lett 11: 3041-4 (2001)


BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106835
PNG
(CHEMBL317920 | N-(2-Hydroxy-5-{(R)-1-hydroxy-2-[(R...)
Show SMILES COc1ccc([C@@H](Cc2ccccc2)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c2ccccc12
Show InChI InChI=1S/C28H30N2O5S/c1-35-28-15-13-22(21-10-6-7-11-23(21)28)24(16-19-8-4-3-5-9-19)29-18-27(32)20-12-14-26(31)25(17-20)30-36(2,33)34/h3-15,17,24,27,29-32H,16,18H2,1-2H3/t24-,27+/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
Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol


Bioorg Med Chem Lett 11: 3041-4 (2001)


BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106793
PNG
(CHEMBL102891 | N-(5-{2-[1-(3,4-Dimethoxy-phenyl)-2...)
Show SMILES COc1ccc(cc1OC)C(Cc1ccccc1)NCC(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
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33n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against CHO cells transfected with human beta-3 adrenergic receptor in the presence of [125I]iodocyanopindolol


Bioorg Med Chem Lett 11: 3035-9 (2001)


BindingDB Entry DOI: 10.7270/Q2MS3T97
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106849
PNG
(CHEMBL319687 | N-(5-{(R)-2-[(R)-1-(3,4-Bis-difluor...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CN[C@H](Cc1ccccc1)c1ccc(OC(F)F)c(OC(F)F)c1
Show InChI InChI=1S/C25H26F4N2O6S/c1-38(34,35)31-19-12-17(7-9-20(19)32)21(33)14-30-18(11-15-5-3-2-4-6-15)16-8-10-22(36-24(26)27)23(13-16)37-25(28)29/h2-10,12-13,18,21,24-25,30-33H,11,14H2,1H3/t18-,21+/m1/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
Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol


Bioorg Med Chem Lett 11: 3041-4 (2001)


BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106844
PNG
(CHEMBL431638 | N-{2-Hydroxy-5-[(R)-1-hydroxy-2-((R...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CN[C@H](Cc1ccccc1)c1cccc2ccccc12
Show InChI InChI=1S/C27H28N2O4S/c1-34(32,33)29-25-17-21(14-15-26(25)30)27(31)18-28-24(16-19-8-3-2-4-9-19)23-13-7-11-20-10-5-6-12-22(20)23/h2-15,17,24,27-31H,16,18H2,1H3/t24-,27+/m1/s1
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43n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol


Bioorg Med Chem Lett 11: 3041-4 (2001)


BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106801
PNG
(CHEMBL102928 | N-(2-Hydroxy-5-{1-hydroxy-2-[1-(4-m...)
Show SMILES COc1ccc(cc1)C(Cc1ccccc1)NCC(O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C24H28N2O5S/c1-31-20-11-8-18(9-12-20)21(14-17-6-4-3-5-7-17)25-16-24(28)19-10-13-23(27)22(15-19)26-32(2,29)30/h3-13,15,21,24-28H,14,16H2,1-2H3
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44n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol


Bioorg Med Chem Lett 11: 3041-4 (2001)


BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106801
PNG
(CHEMBL102928 | N-(2-Hydroxy-5-{1-hydroxy-2-[1-(4-m...)
Show SMILES COc1ccc(cc1)C(Cc1ccccc1)NCC(O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C24H28N2O5S/c1-31-20-11-8-18(9-12-20)21(14-17-6-4-3-5-7-17)25-16-24(28)19-10-13-23(27)22(15-19)26-32(2,29)30/h3-13,15,21,24-28H,14,16H2,1-2H3
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44n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against CHO cells transfected with human beta-3 adrenergic receptor in the presence of [125I]iodocyanopindolol


Bioorg Med Chem Lett 11: 3035-9 (2001)


BindingDB Entry DOI: 10.7270/Q2MS3T97
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106839
PNG
(CHEMBL104905 | N-(5-{(R)-2-[(R)-1-(4-Difluorometho...)
Show SMILES Cc1cc(ccc1OC(F)F)[C@@H](Cc1ccccc1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C25H28F2N2O5S/c1-16-12-18(9-11-24(16)34-25(26)27)20(13-17-6-4-3-5-7-17)28-15-23(31)19-8-10-22(30)21(14-19)29-35(2,32)33/h3-12,14,20,23,25,28-31H,13,15H2,1-2H3/t20-,23+/m1/s1
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69n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol


Bioorg Med Chem Lett 11: 3041-4 (2001)


BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106807
PNG
(CHEMBL103147 | N-(5-{2-[1-(2,4-Dimethoxy-phenyl)-2...)
Show SMILES COc1ccc(C(Cc2ccccc2)NCC(O)c2ccc(O)c(NS(C)(=O)=O)c2)c(OC)c1
Show InChI InChI=1S/C25H30N2O6S/c1-32-19-10-11-20(25(15-19)33-2)21(13-17-7-5-4-6-8-17)26-16-24(29)18-9-12-23(28)22(14-18)27-34(3,30)31/h4-12,14-15,21,24,26-29H,13,16H2,1-3H3
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70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against CHO cells transfected with human beta-3 adrenergic receptor in the presence of [125I]iodocyanopindolol


Bioorg Med Chem Lett 11: 3035-9 (2001)


BindingDB Entry DOI: 10.7270/Q2MS3T97
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106843
PNG
(CHEMBL105475 | N-(5-{(R)-2-[1-(4-Benzyloxy-phenyl)...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC(Cc1ccccc1)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C30H32N2O5S/c1-38(35,36)32-28-19-25(14-17-29(28)33)30(34)20-31-27(18-22-8-4-2-5-9-22)24-12-15-26(16-13-24)37-21-23-10-6-3-7-11-23/h2-17,19,27,30-34H,18,20-21H2,1H3/t27?,30-/m0/s1
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70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol


Bioorg Med Chem Lett 11: 3041-4 (2001)


BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106850
PNG
(4-{(R)-1-[(R)-2-Hydroxy-2-(4-hydroxy-3-methanesulf...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CN[C@H](Cc1ccccc1)c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C24H27N3O5S/c1-33(31,32)27-21-14-19(11-12-22(21)28)23(29)15-26-20(13-16-5-3-2-4-6-16)17-7-9-18(10-8-17)24(25)30/h2-12,14,20,23,26-29H,13,15H2,1H3,(H2,25,30)/t20-,23+/m1/s1
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70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol


Bioorg Med Chem Lett 11: 3041-4 (2001)


BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106851
PNG
(2-(4-{(R)-1-[(R)-2-Hydroxy-2-(4-hydroxy-3-methanes...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CN[C@H](Cc1ccccc1)c1ccc(CC(N)=O)cc1
Show InChI InChI=1S/C25H29N3O5S/c1-34(32,33)28-22-15-20(11-12-23(22)29)24(30)16-27-21(13-17-5-3-2-4-6-17)19-9-7-18(8-10-19)14-25(26)31/h2-12,15,21,24,27-30H,13-14,16H2,1H3,(H2,26,31)/t21-,24+/m1/s1
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74n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol


Bioorg Med Chem Lett 11: 3041-4 (2001)


BindingDB Entry DOI: 10.7270/Q2794402
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
Binding affinity against CHO cells transfected with human beta-3 adrenergic receptor in the presence of [125I]iodocyanopindolol


Bioorg Med Chem Lett 11: 3035-9 (2001)


BindingDB Entry DOI: 10.7270/Q2MS3T97
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106806
PNG
((R)-N-(5-(2-(1,1-bis(4-(difluoromethoxy)phenyl)eth...)
Show SMILES CC(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)(c1ccc(OC(F)F)cc1)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C25H26F4N2O6S/c1-25(16-4-8-18(9-5-16)36-23(26)27,17-6-10-19(11-7-17)37-24(28)29)30-14-22(33)15-3-12-21(32)20(13-15)31-38(2,34)35/h3-13,22-24,30-33H,14H2,1-2H3/t22-/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
Binding affinity against CHO cells transfected with human beta-3 adrenergic receptor in the presence of [125I]iodocyanopindolol


Bioorg Med Chem Lett 11: 3035-9 (2001)


BindingDB Entry DOI: 10.7270/Q2MS3T97
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106840
PNG
(CHEMBL104988 | N-[2-Hydroxy-5-((R)-1-hydroxy-2-{2-...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC(Cc1ccccc1)c1ccc(OCC(F)(F)F)cc1
Show InChI InChI=1S/C25H27F3N2O5S/c1-36(33,34)30-22-14-19(9-12-23(22)31)24(32)15-29-21(13-17-5-3-2-4-6-17)18-7-10-20(11-8-18)35-16-25(26,27)28/h2-12,14,21,24,29-32H,13,15-16H2,1H3/t21?,24-/m0/s1
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84n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol


Bioorg Med Chem Lett 11: 3041-4 (2001)


BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106828
PNG
(4-{(R)-1-[(R)-2-Hydroxy-2-(4-hydroxy-3-methanesulf...)
Show SMILES COC(=O)c1ccc(cc1)[C@@H](Cc1ccccc1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C25H28N2O6S/c1-33-25(30)19-10-8-18(9-11-19)21(14-17-6-4-3-5-7-17)26-16-24(29)20-12-13-23(28)22(15-20)27-34(2,31)32/h3-13,15,21,24,26-29H,14,16H2,1-2H3/t21-,24+/m1/s1
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85n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol


Bioorg Med Chem Lett 11: 3041-4 (2001)


BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106837
PNG
(4-{(R)-1-[(R)-2-Hydroxy-2-(4-hydroxy-3-methanesulf...)
Show SMILES CNC(=O)c1ccc(cc1)[C@@H](Cc1ccccc1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C25H29N3O5S/c1-26-25(31)19-10-8-18(9-11-19)21(14-17-6-4-3-5-7-17)27-16-24(30)20-12-13-23(29)22(15-20)28-34(2,32)33/h3-13,15,21,24,27-30H,14,16H2,1-2H3,(H,26,31)/t21-,24+/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
Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol


Bioorg Med Chem Lett 11: 3041-4 (2001)


BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106847
PNG
(CHEMBL100138 | N-{2-Hydroxy-5-[1-hydroxy-2-(2-phen...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)C(O)CNC(Cc1ccccc1)c1ccsc1
Show InChI InChI=1S/C21H24N2O4S2/c1-29(26,27)23-19-12-16(7-8-20(19)24)21(25)13-22-18(17-9-10-28-14-17)11-15-5-3-2-4-6-15/h2-10,12,14,18,21-25H,11,13H2,1H3
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129n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol


Bioorg Med Chem Lett 11: 3041-4 (2001)


BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106802
PNG
(CHEMBL319257 | N-(5-{2-[1-(3,4-Dimethyl-phenyl)-2-...)
Show SMILES Cc1ccc(cc1C)C(Cc1ccccc1)NCC(O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C25H30N2O4S/c1-17-9-10-20(13-18(17)2)22(14-19-7-5-4-6-8-19)26-16-25(29)21-11-12-24(28)23(15-21)27-32(3,30)31/h4-13,15,22,25-29H,14,16H2,1-3H3
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133n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against CHO cells transfected with human beta-3 adrenergic receptor in the presence of [125I]iodocyanopindolol


Bioorg Med Chem Lett 11: 3035-9 (2001)


BindingDB Entry DOI: 10.7270/Q2MS3T97
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106830
PNG
(CHEMBL104899 | N-Hydroxy-4-{(R)-1-[(R)-2-hydroxy-2...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CN[C@H](Cc1ccccc1)c1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C24H27N3O6S/c1-34(32,33)27-21-14-19(11-12-22(21)28)23(29)15-25-20(13-16-5-3-2-4-6-16)17-7-9-18(10-8-17)24(30)26-31/h2-12,14,20,23,25,27-29,31H,13,15H2,1H3,(H,26,30)/t20-,23+/m1/s1
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147n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol


Bioorg Med Chem Lett 11: 3041-4 (2001)


BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106794
PNG
((R)-N-(5-(2-(bis(4-(difluoromethoxy)phenyl)methyla...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC(c1ccc(OC(F)F)cc1)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C24H24F4N2O6S/c1-37(33,34)30-19-12-16(6-11-20(19)31)21(32)13-29-22(14-2-7-17(8-3-14)35-23(25)26)15-4-9-18(10-5-15)36-24(27)28/h2-12,21-24,29-32H,13H2,1H3/t21-/m0/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
Binding affinity against CHO cells transfected with human beta-3 adrenergic receptor in the presence of [125I]iodocyanopindolol


Bioorg Med Chem Lett 11: 3035-9 (2001)


BindingDB Entry DOI: 10.7270/Q2MS3T97
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106826
PNG
(CHEMBL104217 | N-(5-{(R)-2-[(R)-1-(4-Cyano-phenyl)...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CN[C@H](Cc1ccccc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C24H25N3O4S/c1-32(30,31)27-22-14-20(11-12-23(22)28)24(29)16-26-21(13-17-5-3-2-4-6-17)19-9-7-18(15-25)8-10-19/h2-12,14,21,24,26-29H,13,16H2,1H3/t21-,24+/m1/s1
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210n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol


Bioorg Med Chem Lett 11: 3041-4 (2001)


BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106832
PNG
(CHEMBL103117 | N-(2-Hydroxy-5-{(R)-1-hydroxy-2-[2-...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC(Cc1ccccc1)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C24H25F3N2O5S/c1-35(32,33)29-21-14-18(9-12-22(21)30)23(31)15-28-20(13-16-5-3-2-4-6-16)17-7-10-19(11-8-17)34-24(25,26)27/h2-12,14,20,23,28-31H,13,15H2,1H3/t20?,23-/m0/s1
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210n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol


Bioorg Med Chem Lett 11: 3041-4 (2001)


BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106811
PNG
(2-[(R)-2-Hydroxy-2-(4-hydroxy-3-methanesulfonylami...)
Show SMILES COc1ccc(cc1)C(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)(C(N)=O)c1ccc(OC)cc1
Show InChI InChI=1S/C25H29N3O7S/c1-34-19-9-5-17(6-10-19)25(24(26)31,18-7-11-20(35-2)12-8-18)27-15-23(30)16-4-13-22(29)21(14-16)28-36(3,32)33/h4-14,23,27-30H,15H2,1-3H3,(H2,26,31)/t23-/m0/s1
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220n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against CHO cells transfected with human beta-3 adrenergic receptor in the presence of [125I]iodocyanopindolol


Bioorg Med Chem Lett 11: 3035-9 (2001)


BindingDB Entry DOI: 10.7270/Q2MS3T97
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106842
PNG
(CHEMBL318074 | N-{5-[2-(1-Benzo[b]thiophen-5-yl-2-...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)C(O)CNC(Cc1ccccc1)c1ccc2sccc2c1
Show InChI InChI=1S/C25H26N2O4S2/c1-33(30,31)27-22-15-19(7-9-23(22)28)24(29)16-26-21(13-17-5-3-2-4-6-17)18-8-10-25-20(14-18)11-12-32-25/h2-12,14-15,21,24,26-29H,13,16H2,1H3
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230n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol


Bioorg Med Chem Lett 11: 3041-4 (2001)


BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106824
PNG
(CHEMBL103784 | N-(2-Hydroxy-5-{1-hydroxy-2-[1-(3-m...)
Show SMILES COc1cccc(c1)C(Cc1ccccc1)NCC(O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C24H28N2O5S/c1-31-20-10-6-9-18(14-20)21(13-17-7-4-3-5-8-17)25-16-24(28)19-11-12-23(27)22(15-19)26-32(2,29)30/h3-12,14-15,21,24-28H,13,16H2,1-2H3
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230n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against CHO cells transfected with human beta-3 adrenergic receptor in the presence of [125I]iodocyanopindolol


Bioorg Med Chem Lett 11: 3035-9 (2001)


BindingDB Entry DOI: 10.7270/Q2MS3T97
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106817
PNG
(CHEMBL322863 | N-(4-{(4-Acetylamino-phenyl)-[(R)-2...)
Show SMILES CC(=O)Nc1ccc(cc1)C(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)c1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C26H30N4O6S/c1-16(31)28-21-9-4-18(5-10-21)26(19-6-11-22(12-7-19)29-17(2)32)27-15-25(34)20-8-13-24(33)23(14-20)30-37(3,35)36/h4-14,25-27,30,33-34H,15H2,1-3H3,(H,28,31)(H,29,32)/t25-/m0/s1
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300n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against CHO cells transfected with human beta-3 adrenergic receptor in the presence of [125I]iodocyanopindolol


Bioorg Med Chem Lett 11: 3035-9 (2001)


BindingDB Entry DOI: 10.7270/Q2MS3T97
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106819
PNG
(CHEMBL106329 | N-(5-{2-[1-(3,4-Dimethoxy-phenyl)-2...)
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-/m0/s1
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320n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against CHO cells transfected with human beta-3 adrenergic receptor in the presence of [125I]iodocyanopindolol


Bioorg Med Chem Lett 11: 3035-9 (2001)


BindingDB Entry DOI: 10.7270/Q2MS3T97
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106790
PNG
(CHEMBL101591 | N-{5-[2-(1-Benzyl-hexylamino)-1-hyd...)
Show SMILES CCCCCC(Cc1ccccc1)NCC(O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C22H32N2O4S/c1-3-4-6-11-19(14-17-9-7-5-8-10-17)23-16-22(26)18-12-13-21(25)20(15-18)24-29(2,27)28/h5,7-10,12-13,15,19,22-26H,3-4,6,11,14,16H2,1-2H3
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320n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against CHO cells transfected with human beta-3 adrenergic receptor in the presence of [125I]iodocyanopindolol


Bioorg Med Chem Lett 11: 3035-9 (2001)


BindingDB Entry DOI: 10.7270/Q2MS3T97
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106791
PNG
(CHEMBL102257 | N-{5-[2-(1,2-Diphenyl-ethylamino)-1...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)C(O)CNC(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H26N2O4S/c1-30(28,29)25-21-15-19(12-13-22(21)26)23(27)16-24-20(18-10-6-3-7-11-18)14-17-8-4-2-5-9-17/h2-13,15,20,23-27H,14,16H2,1H3
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360n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against CHO cells transfected with human beta-3 adrenergic receptor in the presence of [125I]iodocyanopindolol


Bioorg Med Chem Lett 11: 3035-9 (2001)


BindingDB Entry DOI: 10.7270/Q2MS3T97
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106791
PNG
(CHEMBL102257 | N-{5-[2-(1,2-Diphenyl-ethylamino)-1...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)C(O)CNC(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H26N2O4S/c1-30(28,29)25-21-15-19(12-13-22(21)26)23(27)16-24-20(18-10-6-3-7-11-18)14-17-8-4-2-5-9-17/h2-13,15,20,23-27H,14,16H2,1H3
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360n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol


Bioorg Med Chem Lett 11: 3041-4 (2001)


BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106814
PNG
(CHEMBL321987 | N-(5-{2-[1-(3,4-Dichloro-phenyl)-2-...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)C(O)CNC(Cc1ccccc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H24Cl2N2O4S/c1-32(30,31)27-21-13-17(8-10-22(21)28)23(29)14-26-20(11-15-5-3-2-4-6-15)16-7-9-18(24)19(25)12-16/h2-10,12-13,20,23,26-29H,11,14H2,1H3
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414n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against CHO cells transfected with human beta-3 adrenergic receptor in the presence of [125I]iodocyanopindolol


Bioorg Med Chem Lett 11: 3035-9 (2001)


BindingDB Entry DOI: 10.7270/Q2MS3T97
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106838
PNG
(CHEMBL103118 | N-(2-Hydroxy-5-{1-hydroxy-2-[1-(4-m...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)C(O)CNC(Cc1ccccc1)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C24H28N2O6S2/c1-33(29,30)20-11-8-18(9-12-20)21(14-17-6-4-3-5-7-17)25-16-24(28)19-10-13-23(27)22(15-19)26-34(2,31)32/h3-13,15,21,24-28H,14,16H2,1-2H3
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440n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol


Bioorg Med Chem Lett 11: 3041-4 (2001)


BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106818
PNG
(CHEMBL102522 | N-(2-Hydroxy-5-{1-hydroxy-2-[2-(4-m...)
Show SMILES COc1ccc(CCNCC(O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1
Show InChI InChI=1S/C18H24N2O5S/c1-25-15-6-3-13(4-7-15)9-10-19-12-18(22)14-5-8-17(21)16(11-14)20-26(2,23)24/h3-8,11,18-22H,9-10,12H2,1-2H3
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480n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against CHO cells transfected with human beta-3 adrenergic receptor in the presence of [125I]iodocyanopindolol


Bioorg Med Chem Lett 11: 3035-9 (2001)


BindingDB Entry DOI: 10.7270/Q2MS3T97
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106822
PNG
(CHEMBL103219 | N-{5-[2-(1-Benzyl-6-hydroxy-hexylam...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)C(O)CNC(CCCCCO)Cc1ccccc1
Show InChI InChI=1S/C22H32N2O5S/c1-30(28,29)24-20-15-18(11-12-21(20)26)22(27)16-23-19(10-6-3-7-13-25)14-17-8-4-2-5-9-17/h2,4-5,8-9,11-12,15,19,22-27H,3,6-7,10,13-14,16H2,1H3
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480n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against CHO cells transfected with human beta-3 adrenergic receptor in the presence of [125I]iodocyanopindolol


Bioorg Med Chem Lett 11: 3035-9 (2001)


BindingDB Entry DOI: 10.7270/Q2MS3T97
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106815
PNG
(CHEMBL405622 | N-(5-{2-[1-(3,4-Diethyl-phenyl)-2-p...)
Show SMILES CCc1ccc(cc1CC)C(Cc1ccccc1)NCC(O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C27H34N2O4S/c1-4-20-11-12-22(16-21(20)5-2)24(15-19-9-7-6-8-10-19)28-18-27(31)23-13-14-26(30)25(17-23)29-34(3,32)33/h6-14,16-17,24,27-31H,4-5,15,18H2,1-3H3
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520n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against CHO cells transfected with human beta-3 adrenergic receptor in the presence of [125I]iodocyanopindolol


Bioorg Med Chem Lett 11: 3035-9 (2001)


BindingDB Entry DOI: 10.7270/Q2MS3T97
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106813
PNG
(CHEMBL316546 | N-(5-{2-[2-(3,4-Dimethoxy-phenyl)-e...)
Show SMILES COc1ccc(CCNCC(O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1OC
Show InChI InChI=1S/C19H26N2O6S/c1-26-18-7-4-13(10-19(18)27-2)8-9-20-12-17(23)14-5-6-16(22)15(11-14)21-28(3,24)25/h4-7,10-11,17,20-23H,8-9,12H2,1-3H3
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550n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against CHO cells transfected with human beta-3 adrenergic receptor in the presence of [125I]iodocyanopindolol


Bioorg Med Chem Lett 11: 3035-9 (2001)


BindingDB Entry DOI: 10.7270/Q2MS3T97
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106808
PNG
(6-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonylamino-p...)
Show SMILES COC(=O)CCCCC(Cc1ccccc1)NCC(O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C23H32N2O6S/c1-31-23(28)11-7-6-10-19(14-17-8-4-3-5-9-17)24-16-22(27)18-12-13-21(26)20(15-18)25-32(2,29)30/h3-5,8-9,12-13,15,19,22,24-27H,6-7,10-11,14,16H2,1-2H3
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570n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against CHO cells transfected with human beta-3 adrenergic receptor in the presence of [125I]iodocyanopindolol


Bioorg Med Chem Lett 11: 3035-9 (2001)


BindingDB Entry DOI: 10.7270/Q2MS3T97
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50002133
PNG
((+/-)-2-(4-((R)-2-((R)-2-(3-chlorophenyl)-2-hydrox...)
Show SMILES C[C@H](Cc1ccc(OCC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H22ClNO4/c1-13(21-11-18(22)15-3-2-4-16(20)10-15)9-14-5-7-17(8-6-14)25-12-19(23)24/h2-8,10,13,18,21-22H,9,11-12H2,1H3,(H,23,24)/t13-,18+/m1/s1
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660n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against CHO cells transfected with human beta-3 adrenergic receptor in the presence of [125I]iodocyanopindolol


Bioorg Med Chem Lett 11: 3035-9 (2001)


BindingDB Entry DOI: 10.7270/Q2MS3T97
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106831
PNG
(CHEMBL105559 | N-{2-Hydroxy-5-[1-hydroxy-2-(2-phen...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)C(O)CNC(Cc1ccccc1)c1ccncc1
Show InChI InChI=1S/C22H25N3O4S/c1-30(28,29)25-20-14-18(7-8-21(20)26)22(27)15-24-19(17-9-11-23-12-10-17)13-16-5-3-2-4-6-16/h2-12,14,19,22,24-27H,13,15H2,1H3
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700n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol


Bioorg Med Chem Lett 11: 3041-4 (2001)


BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106834
PNG
(4-{(R)-1-[(R)-2-Hydroxy-2-(4-hydroxy-3-methanesulf...)
Show SMILES CN(C)C(=O)c1ccc(cc1)[C@@H](Cc1ccccc1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C26H31N3O5S/c1-29(2)26(32)20-11-9-19(10-12-20)22(15-18-7-5-4-6-8-18)27-17-25(31)21-13-14-24(30)23(16-21)28-35(3,33)34/h4-14,16,22,25,27-28,30-31H,15,17H2,1-3H3/t22-,25+/m1/s1
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800n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol


Bioorg Med Chem Lett 11: 3041-4 (2001)


BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106845
PNG
(CHEMBL102177 | N-(5-{2-[1-(4-Fluoro-phenyl)-2-phen...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)C(O)CNC(Cc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C23H25FN2O4S/c1-31(29,30)26-21-14-18(9-12-22(21)27)23(28)15-25-20(13-16-5-3-2-4-6-16)17-7-10-19(24)11-8-17/h2-12,14,20,23,25-28H,13,15H2,1H3
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836n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol


Bioorg Med Chem Lett 11: 3041-4 (2001)


BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106788
PNG
(CHEMBL323091 | N-[5-((R)-2-{[Bis-(4-methoxymethyl-...)
Show SMILES COCc1ccc(cc1)C(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)c1ccc(COC)cc1
Show InChI InChI=1S/C26H32N2O6S/c1-33-16-18-4-8-20(9-5-18)26(21-10-6-19(7-11-21)17-34-2)27-15-25(30)22-12-13-24(29)23(14-22)28-35(3,31)32/h4-14,25-30H,15-17H2,1-3H3/t25-/m0/s1
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980n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against CHO cells transfected with human beta-3 adrenergic receptor in the presence of [125I]iodocyanopindolol


Bioorg Med Chem Lett 11: 3035-9 (2001)


BindingDB Entry DOI: 10.7270/Q2MS3T97
More data for this
Ligand-Target Pair
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