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PubMed code 11714605

Compile data set for download or QSAR
Found 39 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))
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)


Article DOI: 10.1016/s0960-894x(01)00628-x
BindingDB Entry DOI: 10.7270/Q2MS3T97
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)


Article DOI: 10.1016/s0960-894x(01)00628-x
BindingDB Entry DOI: 10.7270/Q2MS3T97
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)


Article DOI: 10.1016/s0960-894x(01)00628-x
BindingDB Entry DOI: 10.7270/Q2MS3T97
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)


Article DOI: 10.1016/s0960-894x(01)00628-x
BindingDB Entry DOI: 10.7270/Q2MS3T97
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)


Article DOI: 10.1016/s0960-894x(01)00628-x
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 against CHO cells transfected with human beta-3 adrenergic receptor in the presence of [125I]iodocyanopindolol


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


Article DOI: 10.1016/s0960-894x(01)00628-x
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)


Article DOI: 10.1016/s0960-894x(01)00628-x
BindingDB Entry DOI: 10.7270/Q2MS3T97
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)


Article DOI: 10.1016/s0960-894x(01)00628-x
BindingDB Entry DOI: 10.7270/Q2MS3T97
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)


Article DOI: 10.1016/s0960-894x(01)00628-x
BindingDB Entry DOI: 10.7270/Q2MS3T97
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)


Article DOI: 10.1016/s0960-894x(01)00628-x
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)


Article DOI: 10.1016/s0960-894x(01)00628-x
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)


Article DOI: 10.1016/s0960-894x(01)00628-x
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)


Article DOI: 10.1016/s0960-894x(01)00628-x
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)


Article DOI: 10.1016/s0960-894x(01)00628-x
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)


Article DOI: 10.1016/s0960-894x(01)00628-x
BindingDB Entry DOI: 10.7270/Q2MS3T97
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)


Article DOI: 10.1016/s0960-894x(01)00628-x
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)


Article DOI: 10.1016/s0960-894x(01)00628-x
BindingDB Entry DOI: 10.7270/Q2MS3T97
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)


Article DOI: 10.1016/s0960-894x(01)00628-x
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)


Article DOI: 10.1016/s0960-894x(01)00628-x
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)


Article DOI: 10.1016/s0960-894x(01)00628-x
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)


Article DOI: 10.1016/s0960-894x(01)00628-x
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)


Article DOI: 10.1016/s0960-894x(01)00628-x
BindingDB Entry DOI: 10.7270/Q2MS3T97
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)


Article DOI: 10.1016/s0960-894x(01)00628-x
BindingDB Entry DOI: 10.7270/Q2MS3T97
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50106795
PNG
(CHEMBL105392 | N-[2-Hydroxy-5-(1-hydroxy-2-pheneth...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)C(O)CNCCc1ccccc1
Show InChI InChI=1S/C17H22N2O4S/c1-24(22,23)19-15-11-14(7-8-16(15)20)17(21)12-18-10-9-13-5-3-2-4-6-13/h2-8,11,17-21H,9-10,12H2,1H3
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1.10E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
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)


Article DOI: 10.1016/s0960-894x(01)00628-x
BindingDB Entry DOI: 10.7270/Q2MS3T97
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50106789
PNG
(CHEMBL103743 | N-{5-[2-(1-Benzyl-2-phenyl-ethylami...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)C(O)CNC(Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C24H28N2O4S/c1-31(29,30)26-22-16-20(12-13-23(22)27)24(28)17-25-21(14-18-8-4-2-5-9-18)15-19-10-6-3-7-11-19/h2-13,16,21,24-28H,14-15,17H2,1H3
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1.50E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
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)


Article DOI: 10.1016/s0960-894x(01)00628-x
BindingDB Entry DOI: 10.7270/Q2MS3T97
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50106800
PNG
(CHEMBL318579 | N-{2-Hydroxy-5-[1-hydroxy-2-(4-meth...)
Show SMILES COc1ccc(CNCC(O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1
Show InChI InChI=1S/C17H22N2O5S/c1-24-14-6-3-12(4-7-14)10-18-11-17(21)13-5-8-16(20)15(9-13)19-25(2,22)23/h3-9,17-21H,10-11H2,1-2H3
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1.55E+3n/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)


Article DOI: 10.1016/s0960-894x(01)00628-x
BindingDB Entry DOI: 10.7270/Q2MS3T97
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50106821
PNG
(6-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonylamino-p...)
Show SMILES CNC(=O)CCCCC(Cc1ccccc1)NCC(O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C23H33N3O5S/c1-24-23(29)11-7-6-10-19(14-17-8-4-3-5-9-17)25-16-22(28)18-12-13-21(27)20(15-18)26-32(2,30)31/h3-5,8-9,12-13,15,19,22,25-28H,6-7,10-11,14,16H2,1-2H3,(H,24,29)
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1.60E+3n/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)


Article DOI: 10.1016/s0960-894x(01)00628-x
BindingDB Entry DOI: 10.7270/Q2MS3T97
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50106809
PNG
(CHEMBL102471 | N-[5-((R)-2-{[Bis-(4-fluoro-phenyl)...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C22H22F2N2O4S/c1-31(29,30)26-19-12-16(6-11-20(19)27)21(28)13-25-22(14-2-7-17(23)8-3-14)15-4-9-18(24)10-5-15/h2-12,21-22,25-28H,13H2,1H3/t21-/m0/s1
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2.80E+3n/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)


Article DOI: 10.1016/s0960-894x(01)00628-x
BindingDB Entry DOI: 10.7270/Q2MS3T97
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50106816
PNG
((4-{2-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonylami...)
Show SMILES COC(=O)COc1ccc(CCNCC(O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1
Show InChI InChI=1S/C20H26N2O7S/c1-28-20(25)13-29-16-6-3-14(4-7-16)9-10-21-12-19(24)15-5-8-18(23)17(11-15)22-30(2,26)27/h3-8,11,19,21-24H,9-10,12-13H2,1-2H3
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3.30E+3n/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)


Article DOI: 10.1016/s0960-894x(01)00628-x
BindingDB Entry DOI: 10.7270/Q2MS3T97
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50106805
PNG
(CHEMBL102291 | N-{5-[2-(1,1-Dimethyl-propylamino)-...)
Show SMILES CCC(C)(C)NCC(O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C14H24N2O4S/c1-5-14(2,3)15-9-13(18)10-6-7-12(17)11(8-10)16-21(4,19)20/h6-8,13,15-18H,5,9H2,1-4H3
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3.70E+3n/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)


Article DOI: 10.1016/s0960-894x(01)00628-x
BindingDB Entry DOI: 10.7270/Q2MS3T97
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50106804
PNG
(CHEMBL30746 | N-[2-Hydroxy-5-(1-hydroxy-2-isopropy...)
Show SMILES CC(C)NCC(O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C12H20N2O4S/c1-8(2)13-7-12(16)9-4-5-11(15)10(6-9)14-19(3,17)18/h4-6,8,12-16H,7H2,1-3H3
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4.10E+3n/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)


Article DOI: 10.1016/s0960-894x(01)00628-x
BindingDB Entry DOI: 10.7270/Q2MS3T97
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50106797
PNG
(CHEMBL317852 | N-{5-[2-(1-Cyclohexyl-2-phenyl-ethy...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)C(O)CNC(Cc1ccccc1)C1CCCCC1
Show InChI InChI=1S/C23H32N2O4S/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/h2,4-5,8-9,12-13,15,18,20,23-27H,3,6-7,10-11,14,16H2,1H3
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4.30E+3n/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)


Article DOI: 10.1016/s0960-894x(01)00628-x
BindingDB Entry DOI: 10.7270/Q2MS3T97
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50106799
PNG
(CHEMBL105603 | N-{5-[(R)-2-(Benzhydryl-amino)-1-hy...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H24N2O4S/c1-29(27,28)24-19-14-18(12-13-20(19)25)21(26)15-23-22(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,21-26H,15H2,1H3/t21-/m0/s1
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5.80E+3n/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)


Article DOI: 10.1016/s0960-894x(01)00628-x
BindingDB Entry DOI: 10.7270/Q2MS3T97
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50106798
PNG
(CHEMBL101693 | N-{5-[2-(Adamantan-1-ylamino)-1-hyd...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)C(O)CNC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C19H28N2O4S/c1-26(24,25)21-16-7-15(2-3-17(16)22)18(23)11-20-19-8-12-4-13(9-19)6-14(5-12)10-19/h2-3,7,12-14,18,20-23H,4-6,8-11H2,1H3
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1.10E+4n/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)


Article DOI: 10.1016/s0960-894x(01)00628-x
BindingDB Entry DOI: 10.7270/Q2MS3T97
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50106812
PNG
(CHEMBL105019 | N-[5-(2-Benzylamino-1-hydroxy-ethyl...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)C(O)CNCc1ccccc1
Show InChI InChI=1S/C16H20N2O4S/c1-23(21,22)18-14-9-13(7-8-15(14)19)16(20)11-17-10-12-5-3-2-4-6-12/h2-9,16-20H,10-11H2,1H3
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1.27E+4n/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)


Article DOI: 10.1016/s0960-894x(01)00628-x
BindingDB Entry DOI: 10.7270/Q2MS3T97
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50106803
PNG
(CHEMBL319632 | N-[5-(2-Amino-1-hydroxy-ethyl)-2-hy...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)C(O)CN
Show InChI InChI=1S/C9H14N2O4S/c1-16(14,15)11-7-4-6(9(13)5-10)2-3-8(7)12/h2-4,9,11-13H,5,10H2,1H3
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1.70E+4n/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)


Article DOI: 10.1016/s0960-894x(01)00628-x
BindingDB Entry DOI: 10.7270/Q2MS3T97
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50002134
PNG
(5-((2R)-2-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl...)
Show SMILES C[C@H](Cc1ccc2OC(Oc2c1)(C([O-])=O)C([O-])=O)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H20ClNO7/c1-11(22-10-15(23)13-3-2-4-14(21)9-13)7-12-5-6-16-17(8-12)29-20(28-16,18(24)25)19(26)27/h2-6,8-9,11,15,22-23H,7,10H2,1H3,(H,24,25)(H,26,27)/p-2/t11-,15+/m1/s1
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PubMed
2.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity to CHO cells expressing the cloned human Beta-3 adrenergic receptor in the presence of [125I]iodocyan...


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


Article DOI: 10.1016/s0960-894x(01)00628-x
BindingDB Entry DOI: 10.7270/Q2MS3T97
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50106787
PNG
((4-{2-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonylami...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)C(O)CNCCc1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C19H24N2O7S/c1-29(26,27)21-16-10-14(4-7-17(16)22)18(23)11-20-9-8-13-2-5-15(6-3-13)28-12-19(24)25/h2-7,10,18,20-23H,8-9,11-12H2,1H3,(H,24,25)
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4.90E+4n/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)


Article DOI: 10.1016/s0960-894x(01)00628-x
BindingDB Entry DOI: 10.7270/Q2MS3T97
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50106792
PNG
(6-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonylamino-p...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)C(O)CNC(CCCCC(O)=O)Cc1ccccc1
Show InChI InChI=1S/C22H30N2O6S/c1-31(29,30)24-19-14-17(11-12-20(19)25)21(26)15-23-18(9-5-6-10-22(27)28)13-16-7-3-2-4-8-16/h2-4,7-8,11-12,14,18,21,23-26H,5-6,9-10,13,15H2,1H3,(H,27,28)
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8.70E+4n/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)


Article DOI: 10.1016/s0960-894x(01)00628-x
BindingDB Entry DOI: 10.7270/Q2MS3T97
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%