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Compile Data Set for Download or QSAR

Found 94 hits Enz. Inhib. hit(s) with all data for entry = 50008023   
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-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50070125
PNG
(CHEMBL276659 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C24H26N2O4/c27-21-10-12-23(13-11-21)30-17-22(28)16-25-15-14-18-6-8-20(9-7-18)26-24(29)19-4-2-1-3-5-19/h1-13,22,25,27-28H,14-17H2,(H,26,29)/t22-/m0/s1
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n/an/a 6.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070149
PNG
(4-((3S)-3-{[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)pro...)
Show SMILES C[C@@H](CCc1ccc(O)cc1)NC[C@H](O)COc1ccc(O)cc1
Show InChI InChI=1S/C19H25NO4/c1-14(2-3-15-4-6-16(21)7-5-15)20-12-18(23)13-24-19-10-8-17(22)9-11-19/h4-11,14,18,20-23H,2-3,12-13H2,1H3/t14-,18-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50070138
PNG
(4-{(S)-2-Hydroxy-3-[(S)-3-(4-methoxy-phenyl)-1-met...)
Show SMILES COc1ccc(CC[C@H](C)NC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C20H27NO4/c1-15(3-4-16-5-9-19(24-2)10-6-16)21-13-18(23)14-25-20-11-7-17(22)8-12-20/h5-12,15,18,21-23H,3-4,13-14H2,1-2H3/t15-,18-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070140
PNG
(CHEMBL13102 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-...)
Show SMILES CC(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C19H24N2O4/c1-14(22)21-16-4-2-15(3-5-16)10-11-20-12-18(24)13-25-19-8-6-17(23)7-9-19/h2-9,18,20,23-24H,10-13H2,1H3,(H,21,22)/t18-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50070149
PNG
(4-((3S)-3-{[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)pro...)
Show SMILES C[C@@H](CCc1ccc(O)cc1)NC[C@H](O)COc1ccc(O)cc1
Show InChI InChI=1S/C19H25NO4/c1-14(2-3-15-4-6-16(21)7-5-15)20-12-18(23)13-24-19-10-8-17(22)9-11-19/h4-11,14,18,20-23H,2-3,12-13H2,1H3/t14-,18-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50070142
PNG
(4-{(S)-2-Hydroxy-3-[3-(4-methoxy-phenyl)-propylami...)
Show SMILES COc1ccc(CCCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C19H25NO4/c1-23-18-8-4-15(5-9-18)3-2-12-20-13-17(22)14-24-19-10-6-16(21)7-11-19/h4-11,17,20-22H,2-3,12-14H2,1H3/t17-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for agonist activity against cloned human beta-1 adrenergic receptor


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070138
PNG
(4-{(S)-2-Hydroxy-3-[(S)-3-(4-methoxy-phenyl)-1-met...)
Show SMILES COc1ccc(CC[C@H](C)NC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C20H27NO4/c1-15(3-4-16-5-9-19(24-2)10-6-16)21-13-18(23)14-25-20-11-7-17(22)8-12-20/h5-12,15,18,21-23H,3-4,13-14H2,1-2H3/t15-,18-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070150
PNG
(CHEMBL13079 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)Cc2ccccc2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C24H28N2O5S/c27-22-10-12-24(13-11-22)31-17-23(28)16-25-15-14-19-6-8-21(9-7-19)26-32(29,30)18-20-4-2-1-3-5-20/h1-13,23,25-28H,14-18H2/t23-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50070140
PNG
(CHEMBL13102 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-...)
Show SMILES CC(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C19H24N2O4/c1-14(22)21-16-4-2-15(3-5-16)10-11-20-12-18(24)13-25-19-8-6-17(23)7-9-19/h2-9,18,20,23-24H,10-13H2,1H3,(H,21,22)/t18-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070135
PNG
(CHEMBL13238 | Propane-2-sulfonic acid (4-{2-[(S)-2...)
Show SMILES CC(C)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C20H28N2O5S/c1-15(2)28(25,26)22-17-5-3-16(4-6-17)11-12-21-13-19(24)14-27-20-9-7-18(23)8-10-20/h3-10,15,19,21-24H,11-14H2,1-2H3/t19-/m0/s1
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n/an/a 58n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50070150
PNG
(CHEMBL13079 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)Cc2ccccc2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C24H28N2O5S/c27-22-10-12-24(13-11-22)31-17-23(28)16-25-15-14-19-6-8-21(9-7-19)26-32(29,30)18-20-4-2-1-3-5-20/h1-13,23,25-28H,14-18H2/t23-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070142
PNG
(4-{(S)-2-Hydroxy-3-[3-(4-methoxy-phenyl)-propylami...)
Show SMILES COc1ccc(CCCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C19H25NO4/c1-23-18-8-4-15(5-9-18)3-2-12-20-13-17(22)14-24-19-10-6-16(21)7-11-19/h4-11,17,20-22H,2-3,12-14H2,1H3/t17-/m0/s1
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n/an/a 63n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50070133
PNG
(4-((2S)-2-{[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)pro...)
Show SMILES C[C@@H](Cc1ccc(O)cc1)NC[C@H](O)COc1ccc(O)cc1
Show InChI InChI=1S/C18H23NO4/c1-13(10-14-2-4-15(20)5-3-14)19-11-17(22)12-23-18-8-6-16(21)7-9-18/h2-9,13,17,19-22H,10-12H2,1H3/t13-,17-/m0/s1
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n/an/a 81n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070133
PNG
(4-((2S)-2-{[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)pro...)
Show SMILES C[C@@H](Cc1ccc(O)cc1)NC[C@H](O)COc1ccc(O)cc1
Show InChI InChI=1S/C18H23NO4/c1-13(10-14-2-4-15(20)5-3-14)19-11-17(22)12-23-18-8-6-16(21)7-9-18/h2-9,13,17,19-22H,10-12H2,1H3/t13-,17-/m0/s1
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n/an/a 84n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50070135
PNG
(CHEMBL13238 | Propane-2-sulfonic acid (4-{2-[(S)-2...)
Show SMILES CC(C)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C20H28N2O5S/c1-15(2)28(25,26)22-17-5-3-16(4-6-17)11-12-21-13-19(24)14-27-20-9-7-18(23)8-10-20/h3-10,15,19,21-24H,11-14H2,1-2H3/t19-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070136
PNG
(2-Chloro-N-(4-{2-[(S)-2-hydroxy-3-(4-hydroxy-pheno...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C23H25ClN2O5S/c24-22-3-1-2-4-23(22)32(29,30)26-18-7-5-17(6-8-18)13-14-25-15-20(28)16-31-21-11-9-19(27)10-12-21/h1-12,20,25-28H,13-16H2/t20-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50070141
PNG
(2-Phenyl-ethanesulfonic acid (4-{2-[(S)-2-hydroxy-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)CCc2ccccc2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C25H30N2O5S/c28-23-10-12-25(13-11-23)32-19-24(29)18-26-16-14-21-6-8-22(9-7-21)27-33(30,31)17-15-20-4-2-1-3-5-20/h1-13,24,26-29H,14-19H2/t24-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070141
PNG
(2-Phenyl-ethanesulfonic acid (4-{2-[(S)-2-hydroxy-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)CCc2ccccc2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C25H30N2O5S/c28-23-10-12-25(13-11-23)32-19-24(29)18-26-16-14-21-6-8-22(9-7-21)27-33(30,31)17-15-20-4-2-1-3-5-20/h1-13,24,26-29H,14-19H2/t24-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070152
PNG
(CHEMBL276257 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C23H25IN2O5S/c24-18-3-11-23(12-4-18)32(29,30)26-19-5-1-17(2-6-19)13-14-25-15-21(28)16-31-22-9-7-20(27)8-10-22/h1-12,21,25-28H,13-16H2/t21-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070155
PNG
(3-Phenyl-propane-1-sulfonic acid (4-{2-[(S)-2-hydr...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)CCCc2ccccc2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C26H32N2O5S/c29-24-12-14-26(15-13-24)33-20-25(30)19-27-17-16-22-8-10-23(11-9-22)28-34(31,32)18-4-7-21-5-2-1-3-6-21/h1-3,5-6,8-15,25,27-30H,4,7,16-20H2/t25-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50070129
PNG
(CHEMBL12686 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C24H28N2O6S/c1-31-22-10-12-24(13-11-22)33(29,30)26-19-4-2-18(3-5-19)14-15-25-16-21(28)17-32-23-8-6-20(27)7-9-23/h2-13,21,25-28H,14-17H2,1H3/t21-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand.


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50070131
PNG
(CHEMBL12718 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C24H28N2O5S/c1-18-2-12-24(13-3-18)32(29,30)26-20-6-4-19(5-7-20)14-15-25-16-22(28)17-31-23-10-8-21(27)9-11-23/h2-13,22,25-28H,14-17H2,1H3/t22-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand.


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070153
PNG
(4-(2-{[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]a...)
Show SMILES O[C@@H](CNCCc1ccc(O)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C17H21NO4/c19-14-3-1-13(2-4-14)9-10-18-11-16(21)12-22-17-7-5-15(20)6-8-17/h1-8,16,18-21H,9-12H2/t16-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070131
PNG
(CHEMBL12718 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C24H28N2O5S/c1-18-2-12-24(13-3-18)32(29,30)26-20-6-4-19(5-7-20)14-15-25-16-22(28)17-31-23-10-8-21(27)9-11-23/h2-13,22,25-28H,14-17H2,1H3/t22-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50070152
PNG
(CHEMBL276257 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C23H25IN2O5S/c24-18-3-11-23(12-4-18)32(29,30)26-19-5-1-17(2-6-19)13-14-25-15-21(28)16-31-22-9-7-20(27)8-10-22/h1-12,21,25-28H,13-16H2/t21-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50070132
PNG
((S)-N-(4-(2-(2-hydroxy-3-(4-hydroxyphenoxy)propyla...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccccc2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C23H26N2O5S/c26-20-10-12-22(13-11-20)30-17-21(27)16-24-15-14-18-6-8-19(9-7-18)25-31(28,29)23-4-2-1-3-5-23/h1-13,21,24-27H,14-17H2/t21-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070143
PNG
(4-Bromo-N-(4-{2-[(S)-2-hydroxy-3-(4-hydroxy-phenox...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C23H25BrN2O5S/c24-18-3-11-23(12-4-18)32(29,30)26-19-5-1-17(2-6-19)13-14-25-15-21(28)16-31-22-9-7-20(27)8-10-22/h1-12,21,25-28H,13-16H2/t21-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070129
PNG
(CHEMBL12686 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C24H28N2O6S/c1-31-22-10-12-24(13-11-22)33(29,30)26-19-4-2-18(3-5-19)14-15-25-16-21(28)17-32-23-8-6-20(27)7-9-23/h2-13,21,25-28H,14-17H2,1H3/t21-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070132
PNG
((S)-N-(4-(2-(2-hydroxy-3-(4-hydroxyphenoxy)propyla...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccccc2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C23H26N2O5S/c26-20-10-12-22(13-11-20)30-17-21(27)16-24-15-14-18-6-8-19(9-7-18)25-31(28,29)23-4-2-1-3-5-23/h1-13,21,24-27H,14-17H2/t21-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070145
PNG
(CHEMBL12188 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-...)
Show SMILES CS(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C18H24N2O5S/c1-26(23,24)20-15-4-2-14(3-5-15)10-11-19-12-17(22)13-25-18-8-6-16(21)7-9-18/h2-9,17,19-22H,10-13H2,1H3/t17-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070125
PNG
(CHEMBL276659 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C24H26N2O4/c27-21-10-12-23(13-11-21)30-17-22(28)16-25-15-14-18-6-8-20(9-7-18)26-24(29)19-4-2-1-3-5-19/h1-13,22,25,27-28H,14-17H2,(H,26,29)/t22-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070128
PNG
(CHEMBL12769 | Quinoline-3-sulfonic acid (4-{2-[(S)...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2cnc3ccccc3c2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C26H27N3O5S/c30-22-9-11-24(12-10-22)34-18-23(31)16-27-14-13-19-5-7-21(8-6-19)29-35(32,33)25-15-20-3-1-2-4-26(20)28-17-25/h1-12,15,17,23,27,29-31H,13-14,16,18H2/t23-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070137
PNG
(CHEMBL12498 | Pentane-1-sulfonic acid (4-{2-[(S)-2...)
Show SMILES CCCCCS(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C22H32N2O5S/c1-2-3-4-15-30(27,28)24-19-7-5-18(6-8-19)13-14-23-16-21(26)17-29-22-11-9-20(25)10-12-22/h5-12,21,23-26H,2-4,13-17H2,1H3/t21-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070130
PNG
(4-Chloro-N-(4-{2-[(S)-2-hydroxy-3-(4-hydroxy-pheno...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C23H25ClN2O5S/c24-18-3-11-23(12-4-18)32(29,30)26-19-5-1-17(2-6-19)13-14-25-15-21(28)16-31-22-9-7-20(27)8-10-22/h1-12,21,25-28H,13-16H2/t21-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070126
PNG
(3-Chloro-N-(4-{2-[(S)-2-hydroxy-3-(4-hydroxy-pheno...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C23H25ClN2O5S/c24-18-2-1-3-23(14-18)32(29,30)26-19-6-4-17(5-7-19)12-13-25-15-21(28)16-31-22-10-8-20(27)9-11-22/h1-11,14,21,25-28H,12-13,15-16H2/t21-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070144
PNG
(CHEMBL276480 | Propane-1-sulfonic acid (4-{2-[(S)-...)
Show SMILES CCCS(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C20H28N2O5S/c1-2-13-28(25,26)22-17-5-3-16(4-6-17)11-12-21-14-19(24)15-27-20-9-7-18(23)8-10-20/h3-10,19,21-24H,2,11-15H2,1H3/t19-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50070128
PNG
(CHEMBL12769 | Quinoline-3-sulfonic acid (4-{2-[(S)...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2cnc3ccccc3c2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C26H27N3O5S/c30-22-9-11-24(12-10-22)34-18-23(31)16-27-14-13-19-5-7-21(8-6-19)29-35(32,33)25-15-20-3-1-2-4-26(20)28-17-25/h1-12,15,17,23,27,29-31H,13-14,16,18H2/t23-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand.


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070127
PNG
(4-{(S)-3-[2-(4-Amino-phenyl)-ethylamino]-2-hydroxy...)
Show SMILES Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C17H22N2O3/c18-14-3-1-13(2-4-14)9-10-19-11-16(21)12-22-17-7-5-15(20)6-8-17/h1-8,16,19-21H,9-12,18H2/t16-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50070143
PNG
(4-Bromo-N-(4-{2-[(S)-2-hydroxy-3-(4-hydroxy-phenox...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C23H25BrN2O5S/c24-18-3-11-23(12-4-18)32(29,30)26-19-5-1-17(2-6-19)13-14-25-15-21(28)16-31-22-9-7-20(27)8-10-22/h1-12,21,25-28H,13-16H2/t21-/m0/s1
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n/an/a 510n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50070136
PNG
(2-Chloro-N-(4-{2-[(S)-2-hydroxy-3-(4-hydroxy-pheno...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C23H25ClN2O5S/c24-22-3-1-2-4-23(22)32(29,30)26-18-7-5-17(6-8-18)13-14-25-15-20(28)16-31-21-11-9-19(27)10-12-21/h1-12,20,25-28H,13-16H2/t20-/m0/s1
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n/an/a 610n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070154
PNG
(CHEMBL13278 | Naphthalene-2-sulfonic acid (4-{2-[(...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C27H28N2O5S/c30-24-10-12-26(13-11-24)34-19-25(31)18-28-16-15-20-5-8-23(9-6-20)29-35(32,33)27-14-7-21-3-1-2-4-22(21)17-27/h1-14,17,25,28-31H,15-16,18-19H2/t25-/m0/s1
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n/an/a 630n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50070145
PNG
(CHEMBL12188 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-...)
Show SMILES CS(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C18H24N2O5S/c1-26(23,24)20-15-4-2-14(3-5-15)10-11-19-12-17(22)13-25-18-8-6-16(21)7-9-18/h2-9,17,19-22H,10-13H2,1H3/t17-/m0/s1
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n/an/a 830n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50070153
PNG
(4-(2-{[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]a...)
Show SMILES O[C@@H](CNCCc1ccc(O)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C17H21NO4/c19-14-3-1-13(2-4-14)9-10-18-11-16(21)12-22-17-7-5-15(20)6-8-17/h1-8,16,18-21H,9-12H2/t16-/m0/s1
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n/an/a 900n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50070137
PNG
(CHEMBL12498 | Pentane-1-sulfonic acid (4-{2-[(S)-2...)
Show SMILES CCCCCS(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C22H32N2O5S/c1-2-3-4-15-30(27,28)24-19-7-5-18(6-8-19)13-14-23-16-21(26)17-29-22-11-9-20(25)10-12-22/h5-12,21,23-26H,2-4,13-17H2,1H3/t21-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50070130
PNG
(4-Chloro-N-(4-{2-[(S)-2-hydroxy-3-(4-hydroxy-pheno...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C23H25ClN2O5S/c24-18-3-11-23(12-4-18)32(29,30)26-19-5-1-17(2-6-19)13-14-25-15-21(28)16-31-22-9-7-20(27)8-10-22/h1-12,21,25-28H,13-16H2/t21-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand.


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50070126
PNG
(3-Chloro-N-(4-{2-[(S)-2-hydroxy-3-(4-hydroxy-pheno...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C23H25ClN2O5S/c24-18-2-1-3-23(14-18)32(29,30)26-19-6-4-17(5-7-19)12-13-25-15-21(28)16-31-22-10-8-20(27)9-11-22/h1-11,14,21,25-28H,12-13,15-16H2/t21-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand.


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50070127
PNG
(4-{(S)-3-[2-(4-Amino-phenyl)-ethylamino]-2-hydroxy...)
Show SMILES Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C17H22N2O3/c18-14-3-1-13(2-4-14)9-10-19-11-16(21)12-22-17-7-5-15(20)6-8-17/h1-8,16,19-21H,9-12,18H2/t16-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50070144
PNG
(CHEMBL276480 | Propane-1-sulfonic acid (4-{2-[(S)-...)
Show SMILES CCCS(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C20H28N2O5S/c1-2-13-28(25,26)22-17-5-3-16(4-6-17)11-12-21-14-19(24)15-27-20-9-7-18(23)8-10-20/h3-10,19,21-24H,2,11-15H2,1H3/t19-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50070155
PNG
(3-Phenyl-propane-1-sulfonic acid (4-{2-[(S)-2-hydr...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)CCCc2ccccc2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C26H32N2O5S/c29-24-12-14-26(15-13-24)33-20-25(30)19-27-17-16-22-8-10-23(11-9-22)28-34(31,32)18-4-7-21-5-2-1-3-6-21/h1-3,5-6,8-15,25,27-30H,4,7,16-20H2/t25-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50070148
PNG
(CHEMBL274807 | Cyclohexanesulfonic acid (4-{2-[(S)...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)C2CCCCC2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C23H32N2O5S/c26-20-10-12-22(13-11-20)30-17-21(27)16-24-15-14-18-6-8-19(9-7-18)25-31(28,29)23-4-2-1-3-5-23/h6-13,21,23-27H,1-5,14-17H2/t21-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
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