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Compile Data Set for Download or QSAR

Found 113 hits with Last Name = 'dejneka' and Initial = 'tc'   
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))
BDBM50148497
PNG
((S)-N-(4-Chloro-phenyl)-2-[2-hydroxy-2-((R)-4-hydr...)
Show SMILES COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C25H28ClN3O6S/c1-25(17-5-11-20(35-2)12-6-17,24(32)28-19-9-7-18(26)8-10-19)27-15-23(31)16-4-13-22(30)21(14-16)29-36(3,33)34/h4-14,23,27,29-31H,15H2,1-3H3,(H,28,32)/t23-,25-/m0/s1
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8.80n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50148487
PNG
((S)-2-[2-Hydroxy-2-((R)-4-hydroxy-3-methanesulfony...)
Show SMILES COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1ccc2sc(C)nc2c1
Show InChI InChI=1S/C27H30N4O6S2/c1-16-29-22-14-19(8-12-25(22)38-16)30-26(34)27(2,18-6-9-20(37-3)10-7-18)28-15-24(33)17-5-11-23(32)21(13-17)31-39(4,35)36/h5-14,24,28,31-33H,15H2,1-4H3,(H,30,34)/t24-,27-/m0/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 towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
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))
BDBM50148484
PNG
((S)-2-[2-Hydroxy-2-((R)-4-hydroxy-3-methanesulfony...)
Show SMILES COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C31H33N3O7S/c1-31(22-10-14-24(40-2)15-11-22,32-20-29(36)21-9-18-28(35)27(19-21)34-42(3,38)39)30(37)33-23-12-16-26(17-13-23)41-25-7-5-4-6-8-25/h4-19,29,32,34-36H,20H2,1-3H3,(H,33,37)/t29-,31-/m0/s1
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14n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50148486
PNG
((S)-2-[2-Hydroxy-2-((R)-4-hydroxy-3-methanesulfony...)
Show SMILES COc1ccc(NC(=O)[C@@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C26H31N3O7S/c1-26(18-6-10-20(35-2)11-7-18,25(32)28-19-8-12-21(36-3)13-9-19)27-16-24(31)17-5-14-23(30)22(15-17)29-37(4,33)34/h5-15,24,27,29-31H,16H2,1-4H3,(H,28,32)/t24-,26-/m0/s1
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17n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50148507
PNG
((S)-N-(3-Chloro-phenyl)-2-[2-hydroxy-2-((R)-4-hydr...)
Show SMILES COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C25H28ClN3O6S/c1-25(17-8-10-20(35-2)11-9-17,24(32)28-19-6-4-5-18(26)14-19)27-15-23(31)16-7-12-22(30)21(13-16)29-36(3,33)34/h4-14,23,27,29-31H,15H2,1-3H3,(H,28,32)/t23-,25-/m0/s1
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17n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50148520
PNG
((S)-N-(3-Bromo-phenyl)-2-[2-hydroxy-2-((R)-4-hydro...)
Show SMILES COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1cccc(Br)c1
Show InChI InChI=1S/C25H28BrN3O6S/c1-25(17-8-10-20(35-2)11-9-17,24(32)28-19-6-4-5-18(26)14-19)27-15-23(31)16-7-12-22(30)21(13-16)29-36(3,33)34/h4-14,23,27,29-31H,15H2,1-3H3,(H,28,32)/t23-,25-/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
Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
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))
BDBM50148504
PNG
(4-[(S)-2-[2-Hydroxy-2-((R)-4-hydroxy-3-methanesulf...)
Show SMILES CCCNC(=O)c1ccc(NC(=O)[C@@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C29H36N4O7S/c1-5-16-30-27(36)19-6-11-22(12-7-19)32-28(37)29(2,21-9-13-23(40-3)14-10-21)31-18-26(35)20-8-15-25(34)24(17-20)33-41(4,38)39/h6-15,17,26,31,33-35H,5,16,18H2,1-4H3,(H,30,36)(H,32,37)/t26-,29-/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 towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50148521
PNG
((S)-2-[2-Hydroxy-2-((R)-4-hydroxy-3-methanesulfony...)
Show SMILES COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C25H29N3O7S/c1-25(17-5-11-20(35-2)12-6-17,24(32)27-18-7-9-19(29)10-8-18)26-15-23(31)16-4-13-22(30)21(14-16)28-36(3,33)34/h4-14,23,26,28-31H,15H2,1-3H3,(H,27,32)/t23-,25-/m0/s1
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23n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50148525
PNG
((S)-N-(3,4-Dichloro-phenyl)-2-[2-hydroxy-2-((R)-4-...)
Show SMILES COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H27Cl2N3O6S/c1-25(16-5-8-18(36-2)9-6-16,24(33)29-17-7-10-19(26)20(27)13-17)28-14-23(32)15-4-11-22(31)21(12-15)30-37(3,34)35/h4-13,23,28,30-32H,14H2,1-3H3,(H,29,33)/t23-,25-/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
Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50148496
PNG
((S)-2-[2-Hydroxy-2-((R)-4-hydroxy-3-methanesulfony...)
Show SMILES COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1ccc(C)cc1
Show InChI InChI=1S/C26H31N3O6S/c1-17-5-10-20(11-6-17)28-25(32)26(2,19-8-12-21(35-3)13-9-19)27-16-24(31)18-7-14-23(30)22(15-18)29-36(4,33)34/h5-15,24,27,29-31H,16H2,1-4H3,(H,28,32)/t24-,26-/m0/s1
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28n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50148514
PNG
((S)-N-Benzo[1,3]dioxol-5-yl-2-[(R)-2-hydroxy-2-(4-...)
Show SMILES COc1ccc(cc1)[C@H](NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1ccc2OCOc2c1
Show InChI InChI=1S/C25H27N3O8S/c1-34-18-7-3-15(4-8-18)24(25(31)27-17-6-10-22-23(12-17)36-14-35-22)26-13-21(30)16-5-9-20(29)19(11-16)28-37(2,32)33/h3-12,21,24,26,28-30H,13-14H2,1-2H3,(H,27,31)/t21-,24-/m0/s1
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33n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
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))
BDBM50148493
PNG
((R)-N-((R)-2-Hydroxy-5-{1-hydroxy-2-[(R)-1-(4-meth...)
Show SMILES COc1ccc(cc1)[C@@H](Cc1ccccc1)NC[C@H](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/t21-,24+/m1/s1
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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 towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
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))
BDBM50148510
PNG
((S)-N-(3,4-Dimethoxy-phenyl)-2-[2-hydroxy-2-((R)-4...)
Show SMILES COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1ccc(OC)c(OC)c1
Show InChI InChI=1S/C27H33N3O8S/c1-27(18-7-10-20(36-2)11-8-18,26(33)29-19-9-13-24(37-3)25(15-19)38-4)28-16-23(32)17-6-12-22(31)21(14-17)30-39(5,34)35/h6-15,23,28,30-32H,16H2,1-5H3,(H,29,33)/t23-,27-/m0/s1
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46n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50148523
PNG
((S)-N-(4-Chloro-2-fluoro-phenyl)-2-[2-hydroxy-2-((...)
Show SMILES COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1ccc(Cl)cc1F
Show InChI InChI=1S/C25H27ClFN3O6S/c1-25(16-5-8-18(36-2)9-6-16,24(33)29-20-10-7-17(26)13-19(20)27)28-14-23(32)15-4-11-22(31)21(12-15)30-37(3,34)35/h4-13,23,28,30-32H,14H2,1-3H3,(H,29,33)/t23-,25-/m0/s1
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47n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50148511
PNG
((S)-2-[2-Hydroxy-2-((R)-4-hydroxy-3-methanesulfony...)
Show SMILES COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1
Show InChI InChI=1S/C25H26Cl3N3O6S/c1-25(15-5-7-17(37-2)8-6-15,24(34)30-16-11-18(26)23(28)19(27)12-16)29-13-22(33)14-4-9-21(32)20(10-14)31-38(3,35)36/h4-12,22,29,31-33H,13H2,1-3H3,(H,30,34)/t22-,25-/m0/s1
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51n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50148524
PNG
((S)-2-[2-Hydroxy-2-((R)-4-hydroxy-3-methanesulfony...)
Show SMILES COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1cccc(C)c1
Show InChI InChI=1S/C26H31N3O6S/c1-17-6-5-7-20(14-17)28-25(32)26(2,19-9-11-21(35-3)12-10-19)27-16-24(31)18-8-13-23(30)22(15-18)29-36(4,33)34/h5-15,24,27,29-31H,16H2,1-4H3,(H,28,32)/t24-,26-/m0/s1
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61n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
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))
BDBM50148513
PNG
((S)-N-(3,5-Dichloro-phenyl)-2-[2-hydroxy-2-((R)-4-...)
Show SMILES COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C25H27Cl2N3O6S/c1-25(16-5-7-20(36-2)8-6-16,24(33)29-19-12-17(26)11-18(27)13-19)28-14-23(32)15-4-9-22(31)21(10-15)30-37(3,34)35/h4-13,23,28,30-32H,14H2,1-3H3,(H,29,33)/t23-,25-/m0/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
Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
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
Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
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))
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 towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
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))
BDBM50148506
PNG
((S)-N-(4-Chloro-phenyl)-2-[2-hydroxy-2-((R)-4-hydr...)
Show SMILES COc1ccc(cc1)[C@H](NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C24H26ClN3O6S/c1-34-19-10-3-15(4-11-19)23(24(31)27-18-8-6-17(25)7-9-18)26-14-22(30)16-5-12-21(29)20(13-16)28-35(2,32)33/h3-13,22-23,26,28-30H,14H2,1-2H3,(H,27,31)/t22-,23-/m0/s1
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89n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50148518
PNG
(CHEMBL325425 | {4-[(S)-2-[2-Hydroxy-2-((R)-4-hydro...)
Show SMILES CCOP(=O)(Cc1ccc(NC(=O)[C@@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c2ccc(OC)cc2)cc1)OCC
Show InChI InChI=1S/C30H40N3O9PS/c1-6-41-43(37,42-7-2)20-21-8-13-24(14-9-21)32-29(36)30(3,23-11-15-25(40-4)16-12-23)31-19-28(35)22-10-17-27(34)26(18-22)33-44(5,38)39/h8-18,28,31,33-35H,6-7,19-20H2,1-5H3,(H,32,36)/t28-,30-/m0/s1
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93n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50148494
PNG
(CHEMBL119070 | N-(3-Aminomethyl-phenyl)-2-[(S)-2-h...)
Show SMILES COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1cccc(CN)c1
Show InChI InChI=1S/C26H32N4O6S/c1-26(19-8-10-21(36-2)11-9-19,25(33)29-20-6-4-5-17(13-20)15-27)28-16-24(32)18-7-12-23(31)22(14-18)30-37(3,34)35/h4-14,24,28,30-32H,15-16,27H2,1-3H3,(H,29,33)/t24-,26-/m0/s1
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115n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
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))
BDBM50148526
PNG
((S)-2-[2-Hydroxy-2-((R)-4-hydroxy-3-methanesulfony...)
Show SMILES COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1cccc(OC)c1
Show InChI InChI=1S/C26H31N3O7S/c1-26(18-9-11-20(35-2)12-10-18,25(32)28-19-6-5-7-21(15-19)36-3)27-16-24(31)17-8-13-23(30)22(14-17)29-37(4,33)34/h5-15,24,27,29-31H,16H2,1-4H3,(H,28,32)/t24-,26-/m0/s1
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142n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
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))
BDBM50148500
PNG
((S)-2-(4-Difluoromethoxy-phenyl)-2-[2-hydroxy-2-((...)
Show SMILES C[C@@](NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)(C(=O)Nc1ccccc1)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C25H27F2N3O6S/c1-25(23(33)29-18-6-4-3-5-7-18,17-9-11-19(12-10-17)36-24(26)27)28-15-22(32)16-8-13-21(31)20(14-16)30-37(2,34)35/h3-14,22,24,28,30-32H,15H2,1-2H3,(H,29,33)/t22-,25-/m0/s1
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190n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
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))
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))
BDBM50148517
PNG
((S)-N-[4-(2-Dimethylamino-ethoxy)-phenyl]-2-[(R)-2...)
Show SMILES COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1ccc(OCCN(C)C)cc1
Show InChI InChI=1S/C29H38N4O7S/c1-29(21-7-11-23(39-4)12-8-21,28(36)31-22-9-13-24(14-10-22)40-17-16-33(2)3)30-19-27(35)20-6-15-26(34)25(18-20)32-41(5,37)38/h6-15,18,27,30,32,34-35H,16-17,19H2,1-5H3,(H,31,36)/t27-,29-/m0/s1
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260n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50148514
PNG
((S)-N-Benzo[1,3]dioxol-5-yl-2-[(R)-2-hydroxy-2-(4-...)
Show SMILES COc1ccc(cc1)[C@H](NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1ccc2OCOc2c1
Show InChI InChI=1S/C25H27N3O8S/c1-34-18-7-3-15(4-8-18)24(25(31)27-17-6-10-22-23(12-17)36-14-35-22)26-13-21(30)16-5-9-20(29)19(11-16)28-37(2,32)33/h3-12,21,24,26,28-30H,13-14H2,1-2H3,(H,27,31)/t21-,24-/m0/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
Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
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))
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))
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))
BDBM50148519
PNG
((S)-2-[2-Hydroxy-2-((R)-4-hydroxy-3-methanesulfony...)
Show SMILES COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1cccc(O)c1
Show InChI InChI=1S/C25H29N3O7S/c1-25(17-8-10-20(35-2)11-9-17,24(32)27-18-5-4-6-19(29)14-18)26-15-23(31)16-7-12-22(30)21(13-16)28-36(3,33)34/h4-14,23,26,28-31H,15H2,1-3H3,(H,27,32)/t23-,25-/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
Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
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))
BDBM50148505
PNG
(CHEMBL330924 | {4-[(S)-2-[(R)-2-Hydroxy-2-(4-hydro...)
Show SMILES COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C27H31N3O9S/c1-27(18-5-9-20(38-2)10-6-18,26(35)29-19-7-11-21(12-8-19)39-16-25(33)34)28-15-24(32)17-4-13-23(31)22(14-17)30-40(3,36)37/h4-14,24,28,30-32H,15-16H2,1-3H3,(H,29,35)(H,33,34)/t24-,27-/m0/s1
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370n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and 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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370n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50148483
PNG
((S)-2-[2-Hydroxy-2-((R)-4-hydroxy-3-methanesulfony...)
Show SMILES COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C28H35N3O9S/c1-28(18-8-10-20(37-2)11-9-18,27(34)30-19-14-24(38-3)26(40-5)25(15-19)39-4)29-16-23(33)17-7-12-22(32)21(13-17)31-41(6,35)36/h7-15,23,29,31-33H,16H2,1-6H3,(H,30,34)/t23-,28-/m0/s1
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370n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50148501
PNG
((S)-N-(2-Chloro-phenyl)-2-[2-hydroxy-2-((R)-4-hydr...)
Show SMILES COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C25H28ClN3O6S/c1-25(17-9-11-18(35-2)12-10-17,24(32)28-20-7-5-4-6-19(20)26)27-15-23(31)16-8-13-22(30)21(14-16)29-36(3,33)34/h4-14,23,27,29-31H,15H2,1-3H3,(H,28,32)/t23-,25-/m0/s1
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380n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50148498
PNG
(4-{(S)-1-[2-Hydroxy-2-((R)-4-hydroxy-3-methanesulf...)
Show SMILES C[C@@](NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)(C(=O)Nc1ccccc1)c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C25H28N4O6S/c1-25(18-11-8-16(9-12-18)23(26)32,24(33)28-19-6-4-3-5-7-19)27-15-22(31)17-10-13-21(30)20(14-17)29-36(2,34)35/h3-14,22,27,29-31H,15H2,1-2H3,(H2,26,32)(H,28,33)/t22-,25-/m0/s1
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400n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
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))
BDBM50148491
PNG
(CHEMBL326612 | {3-[(S)-2-[2-Hydroxy-2-((R)-4-hydro...)
Show SMILES COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1cccc(OCC(O)=O)c1
Show InChI InChI=1S/C27H31N3O9S/c1-27(18-8-10-20(38-2)11-9-18,26(35)29-19-5-4-6-21(14-19)39-16-25(33)34)28-15-24(32)17-7-12-23(31)22(13-17)30-40(3,36)37/h4-14,24,28,30-32H,15-16H2,1-3H3,(H,29,35)(H,33,34)/t24-,27-/m0/s1
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450n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
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
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