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PubMed code 11714606

Compile data set for download or QSAR
Found 31 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))
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)


Article DOI: 10.1016/s0960-894x(01)00629-1
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)


Article DOI: 10.1016/s0960-894x(01)00629-1
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)


Article DOI: 10.1016/s0960-894x(01)00629-1
BindingDB Entry DOI: 10.7270/Q2794402
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)


Article DOI: 10.1016/s0960-894x(01)00629-1
BindingDB Entry DOI: 10.7270/Q2794402
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)


Article DOI: 10.1016/s0960-894x(01)00629-1
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)


Article DOI: 10.1016/s0960-894x(01)00629-1
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)


Article DOI: 10.1016/s0960-894x(01)00629-1
BindingDB Entry DOI: 10.7270/Q2794402
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)


Article DOI: 10.1016/s0960-894x(01)00629-1
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)


Article DOI: 10.1016/s0960-894x(01)00629-1
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)


Article DOI: 10.1016/s0960-894x(01)00629-1
BindingDB Entry DOI: 10.7270/Q2794402
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)


Article DOI: 10.1016/s0960-894x(01)00629-1
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)


Article DOI: 10.1016/s0960-894x(01)00629-1
BindingDB Entry DOI: 10.7270/Q2794402
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)


Article DOI: 10.1016/s0960-894x(01)00629-1
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)


Article DOI: 10.1016/s0960-894x(01)00629-1
BindingDB Entry DOI: 10.7270/Q2794402
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)


Article DOI: 10.1016/s0960-894x(01)00629-1
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)


Article DOI: 10.1016/s0960-894x(01)00629-1
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)


Article DOI: 10.1016/s0960-894x(01)00629-1
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)


Article DOI: 10.1016/s0960-894x(01)00629-1
BindingDB Entry DOI: 10.7270/Q2794402
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)


Article DOI: 10.1016/s0960-894x(01)00629-1
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)


Article DOI: 10.1016/s0960-894x(01)00629-1
BindingDB Entry DOI: 10.7270/Q2794402
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)


Article DOI: 10.1016/s0960-894x(01)00629-1
BindingDB Entry DOI: 10.7270/Q2794402
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)


Article DOI: 10.1016/s0960-894x(01)00629-1
BindingDB Entry DOI: 10.7270/Q2794402
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)


Article DOI: 10.1016/s0960-894x(01)00629-1
BindingDB Entry DOI: 10.7270/Q2794402
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)


Article DOI: 10.1016/s0960-894x(01)00629-1
BindingDB Entry DOI: 10.7270/Q2794402
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)


Article DOI: 10.1016/s0960-894x(01)00629-1
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)


Article DOI: 10.1016/s0960-894x(01)00629-1
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)


Article DOI: 10.1016/s0960-894x(01)00629-1
BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50106846
PNG
(CHEMBL102701 | N-(2-Hydroxy-5-{(R)-1-hydroxy-2-[1-...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC(Cc1ccccc1)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C29H30N2O5S/c1-37(34,35)31-27-19-23(14-17-28(27)32)29(33)20-30-26(18-21-8-4-2-5-9-21)22-12-15-25(16-13-22)36-24-10-6-3-7-11-24/h2-17,19,26,29-33H,18,20H2,1H3/t26?,29-/m0/s1
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990n/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)


Article DOI: 10.1016/s0960-894x(01)00629-1
BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50106827
PNG
(CHEMBL320818 | N-{2-Hydroxy-5-[1-hydroxy-2-(2-phen...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)C(O)CNC(Cc1ccccc1)c1nccs1
Show InChI InChI=1S/C20H23N3O4S2/c1-29(26,27)23-16-12-15(7-8-18(16)24)19(25)13-22-17(20-21-9-10-28-20)11-14-5-3-2-4-6-14/h2-10,12,17,19,22-25H,11,13H2,1H3
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2.40E+3n/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)


Article DOI: 10.1016/s0960-894x(01)00629-1
BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Mus musculus)
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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4.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested for binding affinity to murine Beta-3 adrenergic receptor


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


Article DOI: 10.1016/s0960-894x(01)00629-1
BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50106848
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(O)=O
Show InChI InChI=1S/C24H26N2O6S/c1-33(31,32)26-21-14-19(11-12-22(21)27)23(28)15-25-20(13-16-5-3-2-4-6-16)17-7-9-18(10-8-17)24(29)30/h2-12,14,20,23,25-28H,13,15H2,1H3,(H,29,30)/t20-,23+/m1/s1
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8.60E+3n/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)


Article DOI: 10.1016/s0960-894x(01)00629-1
BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%