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PubMed code 9871717

Compile data set for download or QSAR
Found 72 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-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50070173
PNG
(CHEMBL12939 | [4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy...)
Show SMILES CCCCCCOC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C30H39N3O7S/c1-2-3-4-5-20-39-30(36)32-24-10-16-29(17-11-24)41(37,38)33-25-8-6-23(7-9-25)18-19-31-21-27(35)22-40-28-14-12-26(34)13-15-28/h6-17,27,31,33-35H,2-5,18-22H2,1H3,(H,32,36)/t27-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-2 adrenergic receptor in the presence of [125I]-iodocyanopindolol.

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50070163
PNG
(CHEMBL417250 | N-[4-(4-{2-[(S)-2-Hydroxy-3-(4-hydr...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C30H31N3O6S/c34-26-12-14-28(15-13-26)39-21-27(35)20-31-19-18-22-6-8-25(9-7-22)33-40(37,38)29-16-10-24(11-17-29)32-30(36)23-4-2-1-3-5-23/h1-17,27,31,33-35H,18-21H2,(H,32,36)/t27-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-2 adrenergic receptor in the presence of [125I]-iodocyanopindolol.

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50070176
PNG
(4-(3-Hexyl-1,3-dimethyl-ureido)-N-(4-{2-[(S)-2-hyd...)
Show SMILES CCCCCCN(C)C(=O)N(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C32H44N4O6S/c1-4-5-6-7-22-35(2)32(39)36(3)27-12-18-31(19-13-27)43(40,41)34-26-10-8-25(9-11-26)20-21-33-23-29(38)24-42-30-16-14-28(37)15-17-30/h8-19,29,33-34,37-38H,4-7,20-24H2,1-3H3/t29-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-2 adrenergic receptor in the presence of [125I]-iodocyanopindolol.

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50070164
PNG
(CHEMBL13132 | [4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(NC(=O)OCc3ccccc3)cc2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C31H33N3O7S/c35-27-12-14-29(15-13-27)40-22-28(36)20-32-19-18-23-6-8-26(9-7-23)34-42(38,39)30-16-10-25(11-17-30)33-31(37)41-21-24-4-2-1-3-5-24/h1-17,28,32,34-36H,18-22H2,(H,33,37)/t28-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-2 adrenergic receptor in the presence of [125I]-iodocyanopindolol.

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50070171
PNG
(CHEMBL13467 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-...)
Show SMILES CCCCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C32H44N4O6S/c1-2-3-4-5-6-7-21-34-32(39)35-26-12-18-31(19-13-26)43(40,41)36-27-10-8-25(9-11-27)20-22-33-23-29(38)24-42-30-16-14-28(37)15-17-30/h8-19,29,33,36-38H,2-7,20-24H2,1H3,(H2,34,35,39)/t29-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-1 adrenergic receptor in the presence of [125I]-iodocyanopindolol.

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50070165
PNG
(CHEMBL275291 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy...)
Show SMILES CC(C)NC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C27H34N4O6S/c1-19(2)29-27(34)30-21-7-13-26(14-8-21)38(35,36)31-22-5-3-20(4-6-22)15-16-28-17-24(33)18-37-25-11-9-23(32)10-12-25/h3-14,19,24,28,31-33H,15-18H2,1-2H3,(H2,29,30,34)/t24-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-1 adrenergic receptor in the presence of [125I]-iodocyanopindolol.

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50070171
PNG
(CHEMBL13467 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-...)
Show SMILES CCCCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C32H44N4O6S/c1-2-3-4-5-6-7-21-34-32(39)35-26-12-18-31(19-13-26)43(40,41)36-27-10-8-25(9-11-27)20-22-33-23-29(38)24-42-30-16-14-28(37)15-17-30/h8-19,29,33,36-38H,2-7,20-24H2,1H3,(H2,34,35,39)/t29-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-2 adrenergic receptor in the presence of [125I]-iodocyanopindolol.

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50070164
PNG
(CHEMBL13132 | [4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(NC(=O)OCc3ccccc3)cc2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C31H33N3O7S/c35-27-12-14-29(15-13-27)40-22-28(36)20-32-19-18-23-6-8-26(9-7-23)34-42(38,39)30-16-10-25(11-17-30)33-31(37)41-21-24-4-2-1-3-5-24/h1-17,28,32,34-36H,18-22H2,(H,33,37)/t28-/m0/s1
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n/an/a 190n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-1 adrenergic receptor in the presence of [125I]-iodocyanopindolol.

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50070173
PNG
(CHEMBL12939 | [4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy...)
Show SMILES CCCCCCOC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C30H39N3O7S/c1-2-3-4-5-20-39-30(36)32-24-10-16-29(17-11-24)41(37,38)33-25-8-6-23(7-9-25)18-19-31-21-27(35)22-40-28-14-12-26(34)13-15-28/h6-17,27,31,33-35H,2-5,18-22H2,1H3,(H,32,36)/t27-/m0/s1
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n/an/a 190n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-1 adrenergic receptor in the presence of [125I]-iodocyanopindolol.

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50070156
PNG
((S)-4-(3-hexylureido)-N-(4-(2-(1-hydroxy-2-(4-hydr...)
Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C30H40N4O6S/c1-2-3-4-5-19-32-30(37)33-24-10-16-29(17-11-24)41(38,39)34-25-8-6-23(7-9-25)18-20-31-21-27(36)22-40-28-14-12-26(35)13-15-28/h6-17,27,31,34-36H,2-5,18-22H2,1H3,(H2,32,33,37)/t27-/m0/s1
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n/an/a 190n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-2 adrenergic receptor in the presence of [125I]-iodocyanopindolol.

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50070167
PNG
(4-(3-Heptyl-ureido)-N-(4-{2-[(S)-2-hydroxy-3-(4-hy...)
Show SMILES CCCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C31H42N4O6S/c1-2-3-4-5-6-20-33-31(38)34-25-11-17-30(18-12-25)42(39,40)35-26-9-7-24(8-10-26)19-21-32-22-28(37)23-41-29-15-13-27(36)14-16-29/h7-18,28,32,35-37H,2-6,19-23H2,1H3,(H2,33,34,38)/t28-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-1 adrenergic receptor in the presence of [125I]-iodocyanopindolol.

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50070156
PNG
((S)-4-(3-hexylureido)-N-(4-(2-(1-hydroxy-2-(4-hydr...)
Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C30H40N4O6S/c1-2-3-4-5-19-32-30(37)33-24-10-16-29(17-11-24)41(38,39)34-25-8-6-23(7-9-25)18-20-31-21-27(36)22-40-28-14-12-26(35)13-15-28/h6-17,27,31,34-36H,2-5,18-22H2,1H3,(H2,32,33,37)/t27-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-1 adrenergic receptor in the presence of [125I]-iodocyanopindolol.

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50070167
PNG
(4-(3-Heptyl-ureido)-N-(4-{2-[(S)-2-hydroxy-3-(4-hy...)
Show SMILES CCCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C31H42N4O6S/c1-2-3-4-5-6-20-33-31(38)34-25-11-17-30(18-12-25)42(39,40)35-26-9-7-24(8-10-26)19-21-32-22-28(37)23-41-29-15-13-27(36)14-16-29/h7-18,28,32,35-37H,2-6,19-23H2,1H3,(H2,33,34,38)/t28-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-2 adrenergic receptor in the presence of [125I]-iodocyanopindolol.

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50070175
PNG
(CHEMBL13106 | [4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy...)
Show SMILES CC(C)OC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C27H33N3O7S/c1-19(2)37-27(33)29-21-7-13-26(14-8-21)38(34,35)30-22-5-3-20(4-6-22)15-16-28-17-24(32)18-36-25-11-9-23(31)10-12-25/h3-14,19,24,28,30-32H,15-18H2,1-2H3,(H,29,33)/t24-/m0/s1
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n/an/a 210n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-2 adrenergic receptor in the presence of [125I]-iodocyanopindolol.

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50070160
PNG
(CHEMBL12943 | N-[4-(4-{2-[(S)-2-Hydroxy-3-(4-hydro...)
Show SMILES CCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C26H31N3O6S/c1-2-26(32)28-20-7-13-25(14-8-20)36(33,34)29-21-5-3-19(4-6-21)15-16-27-17-23(31)18-35-24-11-9-22(30)10-12-24/h3-14,23,27,29-31H,2,15-18H2,1H3,(H,28,32)/t23-/m0/s1
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n/an/a 220n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-2 adrenergic receptor in the presence of [125I]-iodocyanopindolol.

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50070169
PNG
(CHEMBL12911 | [4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy...)
Show SMILES CCOC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C26H31N3O7S/c1-2-35-26(32)28-20-7-13-25(14-8-20)37(33,34)29-21-5-3-19(4-6-21)15-16-27-17-23(31)18-36-24-11-9-22(30)10-12-24/h3-14,23,27,29-31H,2,15-18H2,1H3,(H,28,32)/t23-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-1 adrenergic receptor in the presence of [125I]-iodocyanopindolol.

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50070163
PNG
(CHEMBL417250 | N-[4-(4-{2-[(S)-2-Hydroxy-3-(4-hydr...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C30H31N3O6S/c34-26-12-14-28(15-13-26)39-21-27(35)20-31-19-18-22-6-8-25(9-7-22)33-40(37,38)29-16-10-24(11-17-29)32-30(36)23-4-2-1-3-5-23/h1-17,27,31,33-35H,18-21H2,(H,32,36)/t27-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-1 adrenergic receptor in the presence of [125I]-iodocyanopindolol.

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50070157
PNG
(CHEMBL13453 | N-[4-(4-{2-[(S)-2-Hydroxy-3-(4-hydro...)
Show SMILES CCCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C27H33N3O6S/c1-2-3-27(33)29-21-8-14-26(15-9-21)37(34,35)30-22-6-4-20(5-7-22)16-17-28-18-24(32)19-36-25-12-10-23(31)11-13-25/h4-15,24,28,30-32H,2-3,16-19H2,1H3,(H,29,33)/t24-/m0/s1
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n/an/a 230n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-2 adrenergic receptor in the presence of [125I]-iodocyanopindolol.

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50070166
PNG
(CHEMBL268289 | Heptanoic acid [4-(4-{2-[(S)-2-hydr...)
Show SMILES CCCCCCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C30H39N3O6S/c1-2-3-4-5-6-30(36)32-24-11-17-29(18-12-24)40(37,38)33-25-9-7-23(8-10-25)19-20-31-21-27(35)22-39-28-15-13-26(34)14-16-28/h7-18,27,31,33-35H,2-6,19-22H2,1H3,(H,32,36)/t27-/m0/s1
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n/an/a 230n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-2 adrenergic receptor in the presence of [125I]-iodocyanopindolol.

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50070175
PNG
(CHEMBL13106 | [4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy...)
Show SMILES CC(C)OC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C27H33N3O7S/c1-19(2)37-27(33)29-21-7-13-26(14-8-21)38(34,35)30-22-5-3-20(4-6-22)15-16-28-17-24(32)18-36-25-11-9-23(31)10-12-25/h3-14,19,24,28,30-32H,15-18H2,1-2H3,(H,29,33)/t24-/m0/s1
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n/an/a 240n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-1 adrenergic receptor in the presence of [125I]-iodocyanopindolol.

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50070168
PNG
(CHEMBL13389 | [4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy...)
Show SMILES COC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C25H29N3O7S/c1-34-25(31)27-19-6-12-24(13-7-19)36(32,33)28-20-4-2-18(3-5-20)14-15-26-16-22(30)17-35-23-10-8-21(29)9-11-23/h2-13,22,26,28-30H,14-17H2,1H3,(H,27,31)/t22-/m0/s1
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n/an/a 250n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-1 adrenergic receptor in the presence of [125I]-iodocyanopindolol.

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50070172
PNG
(4-(3-Cyclohexyl-ureido)-N-(4-{2-[(S)-2-hydroxy-3-(...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(NC(=O)NC3CCCCC3)cc2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C30H38N4O6S/c35-26-12-14-28(15-13-26)40-21-27(36)20-31-19-18-22-6-8-25(9-7-22)34-41(38,39)29-16-10-24(11-17-29)33-30(37)32-23-4-2-1-3-5-23/h6-17,23,27,31,34-36H,1-5,18-21H2,(H2,32,33,37)/t27-/m0/s1
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n/an/a 260n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-1 adrenergic receptor in the presence of [125I]-iodocyanopindolol.

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50070170
PNG
(4-(3-Hexyl-1-methyl-ureido)-N-(4-{2-[(S)-2-hydroxy...)
Show SMILES CCCCCCNC(=O)N(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C31H42N4O6S/c1-3-4-5-6-20-33-31(38)35(2)26-11-17-30(18-12-26)42(39,40)34-25-9-7-24(8-10-25)19-21-32-22-28(37)23-41-29-15-13-27(36)14-16-29/h7-18,28,32,34,36-37H,3-6,19-23H2,1-2H3,(H,33,38)/t28-/m0/s1
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n/an/a 290n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-2 adrenergic receptor in the presence of [125I]-iodocyanopindolol.

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50070161
PNG
(CHEMBL13459 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-...)
Show SMILES CCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C29H38N4O6S/c1-2-3-4-18-31-29(36)32-23-9-15-28(16-10-23)40(37,38)33-24-7-5-22(6-8-24)17-19-30-20-26(35)21-39-27-13-11-25(34)12-14-27/h5-16,26,30,33-35H,2-4,17-21H2,1H3,(H2,31,32,36)/t26-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-1 adrenergic receptor in the presence of [125I]-iodocyanopindolol.

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50070166
PNG
(CHEMBL268289 | Heptanoic acid [4-(4-{2-[(S)-2-hydr...)
Show SMILES CCCCCCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C30H39N3O6S/c1-2-3-4-5-6-30(36)32-24-11-17-29(18-12-24)40(37,38)33-25-9-7-23(8-10-25)19-20-31-21-27(35)22-39-28-15-13-26(34)14-16-28/h7-18,27,31,33-35H,2-6,19-22H2,1H3,(H,32,36)/t27-/m0/s1
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n/an/a 340n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-1 adrenergic receptor in the presence of [125I]-iodocyanopindolol.

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50070161
PNG
(CHEMBL13459 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-...)
Show SMILES CCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C29H38N4O6S/c1-2-3-4-18-31-29(36)32-23-9-15-28(16-10-23)40(37,38)33-24-7-5-22(6-8-24)17-19-30-20-26(35)21-39-27-13-11-25(34)12-14-27/h5-16,26,30,33-35H,2-4,17-21H2,1H3,(H2,31,32,36)/t26-/m0/s1
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n/an/a 350n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-2 adrenergic receptor in the presence of [125I]-iodocyanopindolol.

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50070174
PNG
(CHEMBL13398 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-...)
Show SMILES CNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C25H30N4O6S/c1-26-25(32)28-19-6-12-24(13-7-19)36(33,34)29-20-4-2-18(3-5-20)14-15-27-16-22(31)17-35-23-10-8-21(30)9-11-23/h2-13,22,27,29-31H,14-17H2,1H3,(H2,26,28,32)/t22-/m0/s1
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n/an/a 350n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-1 adrenergic receptor in the presence of [125I]-iodocyanopindolol.

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50070174
PNG
(CHEMBL13398 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-...)
Show SMILES CNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C25H30N4O6S/c1-26-25(32)28-19-6-12-24(13-7-19)36(33,34)29-20-4-2-18(3-5-20)14-15-27-16-22(31)17-35-23-10-8-21(30)9-11-23/h2-13,22,27,29-31H,14-17H2,1H3,(H2,26,28,32)/t22-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-2 adrenergic receptor in the presence of [125I]-iodocyanopindolol.

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50070169
PNG
(CHEMBL12911 | [4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy...)
Show SMILES CCOC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C26H31N3O7S/c1-2-35-26(32)28-20-7-13-25(14-8-20)37(33,34)29-21-5-3-19(4-6-21)15-16-27-17-23(31)18-36-24-11-9-22(30)10-12-24/h3-14,23,27,29-31H,2,15-18H2,1H3,(H,28,32)/t23-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-2 adrenergic receptor in the presence of [125I]-iodocyanopindolol.

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50070168
PNG
(CHEMBL13389 | [4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy...)
Show SMILES COC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C25H29N3O7S/c1-34-25(31)27-19-6-12-24(13-7-19)36(32,33)28-20-4-2-18(3-5-20)14-15-26-16-22(30)17-35-23-10-8-21(29)9-11-23/h2-13,22,26,28-30H,14-17H2,1H3,(H,27,31)/t22-/m0/s1
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n/an/a 430n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-2 adrenergic receptor in the presence of [125I]-iodocyanopindolol.

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50070158
PNG
(CHEMBL13068 | N-[4-(4-{2-[(S)-2-Hydroxy-3-(4-hydro...)
Show SMILES CC(C)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C27H33N3O6S/c1-19(2)27(33)29-21-7-13-26(14-8-21)37(34,35)30-22-5-3-20(4-6-22)15-16-28-17-24(32)18-36-25-11-9-23(31)10-12-25/h3-14,19,24,28,30-32H,15-18H2,1-2H3,(H,29,33)/t24-/m0/s1
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n/an/a 450n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-2 adrenergic receptor in the presence of [125I]-iodocyanopindolol.

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50070176
PNG
(4-(3-Hexyl-1,3-dimethyl-ureido)-N-(4-{2-[(S)-2-hyd...)
Show SMILES CCCCCCN(C)C(=O)N(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C32H44N4O6S/c1-4-5-6-7-22-35(2)32(39)36(3)27-12-18-31(19-13-27)43(40,41)34-26-10-8-25(9-11-26)20-21-33-23-29(38)24-42-30-16-14-28(37)15-17-30/h8-19,29,33-34,37-38H,4-7,20-24H2,1-3H3/t29-/m0/s1
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n/an/a 510n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-1 adrenergic receptor in the presence of [125I]-iodocyanopindolol.

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50070157
PNG
(CHEMBL13453 | N-[4-(4-{2-[(S)-2-Hydroxy-3-(4-hydro...)
Show SMILES CCCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C27H33N3O6S/c1-2-3-27(33)29-21-8-14-26(15-9-21)37(34,35)30-22-6-4-20(5-7-22)16-17-28-18-24(32)19-36-25-12-10-23(31)11-13-25/h4-15,24,28,30-32H,2-3,16-19H2,1H3,(H,29,33)/t24-/m0/s1
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n/an/a 530n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-1 adrenergic receptor in the presence of [125I]-iodocyanopindolol.

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50070177
PNG
(CHEMBL275511 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy...)
Show SMILES CCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C27H34N4O6S/c1-2-16-29-27(34)30-21-7-13-26(14-8-21)38(35,36)31-22-5-3-20(4-6-22)15-17-28-18-24(33)19-37-25-11-9-23(32)10-12-25/h3-14,24,28,31-33H,2,15-19H2,1H3,(H2,29,30,34)/t24-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-1 adrenergic receptor in the presence of [125I]-iodocyanopindolol.

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50070177
PNG
(CHEMBL275511 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy...)
Show SMILES CCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C27H34N4O6S/c1-2-16-29-27(34)30-21-7-13-26(14-8-21)38(35,36)31-22-5-3-20(4-6-22)15-17-28-18-24(33)19-37-25-11-9-23(32)10-12-25/h3-14,24,28,31-33H,2,15-19H2,1H3,(H2,29,30,34)/t24-/m0/s1
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n/an/a 540n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-2 adrenergic receptor in the presence of [125I]-iodocyanopindolol.

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50070165
PNG
(CHEMBL275291 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy...)
Show SMILES CC(C)NC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C27H34N4O6S/c1-19(2)29-27(34)30-21-7-13-26(14-8-21)38(35,36)31-22-5-3-20(4-6-22)15-16-28-17-24(33)18-37-25-11-9-23(32)10-12-25/h3-14,19,24,28,31-33H,15-18H2,1-2H3,(H2,29,30,34)/t24-/m0/s1
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n/an/a 700n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-2 adrenergic receptor in the presence of [125I]-iodocyanopindolol.

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50070179
PNG
(4-(3-Hexyl-3-methyl-ureido)-N-(4-{2-[(S)-2-hydroxy...)
Show SMILES CCCCCCN(C)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C31H42N4O6S/c1-3-4-5-6-21-35(2)31(38)33-25-11-17-30(18-12-25)42(39,40)34-26-9-7-24(8-10-26)19-20-32-22-28(37)23-41-29-15-13-27(36)14-16-29/h7-18,28,32,34,36-37H,3-6,19-23H2,1-2H3,(H,33,38)/t28-/m0/s1
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n/an/a 720n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-2 adrenergic receptor in the presence of [125I]-iodocyanopindolol.

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50070158
PNG
(CHEMBL13068 | N-[4-(4-{2-[(S)-2-Hydroxy-3-(4-hydro...)
Show SMILES CC(C)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C27H33N3O6S/c1-19(2)27(33)29-21-7-13-26(14-8-21)37(34,35)30-22-5-3-20(4-6-22)15-16-28-17-24(32)18-36-25-11-9-23(31)10-12-25/h3-14,19,24,28,30-32H,15-18H2,1-2H3,(H,29,33)/t24-/m0/s1
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n/an/a 730n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-1 adrenergic receptor in the presence of [125I]-iodocyanopindolol.

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50070170
PNG
(4-(3-Hexyl-1-methyl-ureido)-N-(4-{2-[(S)-2-hydroxy...)
Show SMILES CCCCCCNC(=O)N(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C31H42N4O6S/c1-3-4-5-6-20-33-31(38)35(2)26-11-17-30(18-12-26)42(39,40)34-25-9-7-24(8-10-25)19-21-32-22-28(37)23-41-29-15-13-27(36)14-16-29/h7-18,28,32,34,36-37H,3-6,19-23H2,1-2H3,(H,33,38)/t28-/m0/s1
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n/an/a 740n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-1 adrenergic receptor in the presence of [125I]-iodocyanopindolol.

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50070179
PNG
(4-(3-Hexyl-3-methyl-ureido)-N-(4-{2-[(S)-2-hydroxy...)
Show SMILES CCCCCCN(C)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C31H42N4O6S/c1-3-4-5-6-21-35(2)31(38)33-25-11-17-30(18-12-25)42(39,40)34-26-9-7-24(8-10-26)19-20-32-22-28(37)23-41-29-15-13-27(36)14-16-29/h7-18,28,32,34,36-37H,3-6,19-23H2,1-2H3,(H,33,38)/t28-/m0/s1
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n/an/a 800n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-1 adrenergic receptor in the presence of [125I]-iodocyanopindolol.

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50070160
PNG
(CHEMBL12943 | N-[4-(4-{2-[(S)-2-Hydroxy-3-(4-hydro...)
Show SMILES CCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C26H31N3O6S/c1-2-26(32)28-20-7-13-25(14-8-20)36(33,34)29-21-5-3-19(4-6-21)15-16-27-17-23(31)18-35-24-11-9-22(30)10-12-24/h3-14,23,27,29-31H,2,15-18H2,1H3,(H,28,32)/t23-/m0/s1
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n/an/a 880n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-1 adrenergic receptor in the presence of [125I]-iodocyanopindolol.

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50070159
PNG
(CHEMBL13521 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-...)
Show SMILES COCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C28H36N4O7S/c1-38-18-2-16-30-28(35)31-22-7-13-27(14-8-22)40(36,37)32-23-5-3-21(4-6-23)15-17-29-19-25(34)20-39-26-11-9-24(33)10-12-26/h3-14,25,29,32-34H,2,15-20H2,1H3,(H2,30,31,35)/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
In vitro affinity at Beta-2 adrenergic receptor in the presence of [125I]-iodocyanopindolol.

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50070159
PNG
(CHEMBL13521 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-...)
Show SMILES COCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C28H36N4O7S/c1-38-18-2-16-30-28(35)31-22-7-13-27(14-8-22)40(36,37)32-23-5-3-21(4-6-23)15-17-29-19-25(34)20-39-26-11-9-24(33)10-12-26/h3-14,25,29,32-34H,2,15-20H2,1H3,(H2,30,31,35)/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
In vitro affinity at Beta-1 adrenergic receptor in the presence of [125I]-iodocyanopindolol.

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50070162
PNG
(CHEMBL273428 | N-[4-(4-{2-[(S)-2-Hydroxy-3-(4-hydr...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C25H29N3O6S/c1-18(29)27-20-6-12-25(13-7-20)35(32,33)28-21-4-2-19(3-5-21)14-15-26-16-23(31)17-34-24-10-8-22(30)9-11-24/h2-13,23,26,28,30-31H,14-17H2,1H3,(H,27,29)/t23-/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
In vitro affinity at Beta-1 adrenergic receptor in the presence of [125I]-iodocyanopindolol.

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50070162
PNG
(CHEMBL273428 | N-[4-(4-{2-[(S)-2-Hydroxy-3-(4-hydr...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C25H29N3O6S/c1-18(29)27-20-6-12-25(13-7-20)35(32,33)28-21-4-2-19(3-5-21)14-15-26-16-23(31)17-34-24-10-8-22(30)9-11-24/h2-13,23,26,28,30-31H,14-17H2,1H3,(H,27,29)/t23-/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
In vitro affinity at Beta-2 adrenergic receptor in the presence of [125I]-iodocyanopindolol.

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50070172
PNG
(4-(3-Cyclohexyl-ureido)-N-(4-{2-[(S)-2-hydroxy-3-(...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(NC(=O)NC3CCCCC3)cc2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C30H38N4O6S/c35-26-12-14-28(15-13-26)40-21-27(36)20-31-19-18-22-6-8-25(9-7-22)34-41(38,39)29-16-10-24(11-17-29)33-30(37)32-23-4-2-1-3-5-23/h6-17,23,27,31,34-36H,1-5,18-21H2,(H2,32,33,37)/t27-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-2 adrenergic receptor in the presence of [125I]-iodocyanopindolol.

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50070178
PNG
(CHEMBL274312 | {2-[4-(4-Amino-benzenesulfonylamino...)
Show SMILES CC(C)(C)OC(=O)N(CCc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1)C[C@H](O)COc1ccc(O[Si](C)(C)C(C)(C)C)cc1
Show InChI InChI=1S/C34H49N3O7SSi/c1-33(2,3)43-32(39)37(23-28(38)24-42-29-15-17-30(18-16-29)44-46(7,8)34(4,5)6)22-21-25-9-13-27(14-10-25)36-45(40,41)31-19-11-26(35)12-20-31/h9-20,28,36,38H,21-24,35H2,1-8H3/t28-/m0/s1
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n/an/an/an/a 17n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50070165
PNG
(CHEMBL275291 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy...)
Show SMILES CC(C)NC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C27H34N4O6S/c1-19(2)29-27(34)30-21-7-13-26(14-8-21)38(35,36)31-22-5-3-20(4-6-22)15-16-28-17-24(33)18-37-25-11-9-23(32)10-12-25/h3-14,19,24,28,31-33H,15-18H2,1-2H3,(H2,29,30,34)/t24-/m0/s1
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n/an/an/an/a 1.20n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50070163
PNG
(CHEMBL417250 | N-[4-(4-{2-[(S)-2-Hydroxy-3-(4-hydr...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C30H31N3O6S/c34-26-12-14-28(15-13-26)39-21-27(35)20-31-19-18-22-6-8-25(9-7-22)33-40(37,38)29-16-10-24(11-17-29)32-30(36)23-4-2-1-3-5-23/h1-17,27,31,33-35H,18-21H2,(H,32,36)/t27-/m0/s1
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n/an/an/an/a 2.30n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50070161
PNG
(CHEMBL13459 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-...)
Show SMILES CCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C29H38N4O6S/c1-2-3-4-18-31-29(36)32-23-9-15-28(16-10-23)40(37,38)33-24-7-5-22(6-8-24)17-19-30-20-26(35)21-39-27-13-11-25(34)12-14-27/h5-16,26,30,33-35H,2-4,17-21H2,1H3,(H2,31,32,36)/t26-/m0/s1
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n/an/an/an/a 5.20n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50070156
PNG
((S)-4-(3-hexylureido)-N-(4-(2-(1-hydroxy-2-(4-hydr...)
Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C30H40N4O6S/c1-2-3-4-5-19-32-30(37)33-24-10-16-29(17-11-24)41(38,39)34-25-8-6-23(7-9-25)18-20-31-21-27(36)22-40-28-14-12-26(35)13-15-28/h6-17,27,31,34-36H,2-5,18-22H2,1H3,(H2,32,33,37)/t27-/m0/s1
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n/an/an/an/a 0.430n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50070169
PNG
(CHEMBL12911 | [4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy...)
Show SMILES CCOC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C26H31N3O7S/c1-2-35-26(32)28-20-7-13-25(14-8-20)37(33,34)29-21-5-3-19(4-6-21)15-16-27-17-23(31)18-36-24-11-9-22(30)10-12-24/h3-14,23,27,29-31H,2,15-18H2,1H3,(H,28,32)/t23-/m0/s1
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n/an/an/an/a 1.10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50070159
PNG
(CHEMBL13521 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-...)
Show SMILES COCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C28H36N4O7S/c1-38-18-2-16-30-28(35)31-22-7-13-27(14-8-22)40(36,37)32-23-5-3-21(4-6-23)15-17-29-19-25(34)20-39-26-11-9-24(33)10-12-26/h3-14,25,29,32-34H,2,15-20H2,1H3,(H2,30,31,35)/t25-/m0/s1
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n/an/an/an/a 2.40n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50070180
PNG
(3-(3-Hexyl-ureido)-N-(4-{2-[(S)-2-hydroxy-3-(4-hyd...)
Show SMILES CCCCCCNC(=O)Nc1cccc(c1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C30H40N4O6S/c1-2-3-4-5-18-32-30(37)33-25-7-6-8-29(20-25)41(38,39)34-24-11-9-23(10-12-24)17-19-31-21-27(36)22-40-28-15-13-26(35)14-16-28/h6-16,20,27,31,34-36H,2-5,17-19,21-22H2,1H3,(H2,32,33,37)/t27-/m0/s1
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n/an/an/an/a 4.60n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50070171
PNG
(CHEMBL13467 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-...)
Show SMILES CCCCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C32H44N4O6S/c1-2-3-4-5-6-7-21-34-32(39)35-26-12-18-31(19-13-26)43(40,41)36-27-10-8-25(9-11-27)20-22-33-23-29(38)24-42-30-16-14-28(37)15-17-30/h8-19,29,33,36-38H,2-7,20-24H2,1H3,(H2,34,35,39)/t29-/m0/s1
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n/an/an/an/a 1n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50070176
PNG
(4-(3-Hexyl-1,3-dimethyl-ureido)-N-(4-{2-[(S)-2-hyd...)
Show SMILES CCCCCCN(C)C(=O)N(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C32H44N4O6S/c1-4-5-6-7-22-35(2)32(39)36(3)27-12-18-31(19-13-27)43(40,41)34-26-10-8-25(9-11-26)20-21-33-23-29(38)24-42-30-16-14-28(37)15-17-30/h8-19,29,33-34,37-38H,4-7,20-24H2,1-3H3/t29-/m0/s1
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n/an/an/an/a 10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50070174
PNG
(CHEMBL13398 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-...)
Show SMILES CNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C25H30N4O6S/c1-26-25(32)28-19-6-12-24(13-7-19)36(33,34)29-20-4-2-18(3-5-20)14-15-27-16-22(31)17-35-23-10-8-21(30)9-11-23/h2-13,22,27,29-31H,14-17H2,1H3,(H2,26,28,32)/t22-/m0/s1
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n/an/an/an/a 1.40n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50070170
PNG
(4-(3-Hexyl-1-methyl-ureido)-N-(4-{2-[(S)-2-hydroxy...)
Show SMILES CCCCCCNC(=O)N(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C31H42N4O6S/c1-3-4-5-6-20-33-31(38)35(2)26-11-17-30(18-12-26)42(39,40)34-25-9-7-24(8-10-25)19-21-32-22-28(37)23-41-29-15-13-27(36)14-16-29/h7-18,28,32,34,36-37H,3-6,19-23H2,1-2H3,(H,33,38)/t28-/m0/s1
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n/an/an/an/a 6.60n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50070160
PNG
(CHEMBL12943 | N-[4-(4-{2-[(S)-2-Hydroxy-3-(4-hydro...)
Show SMILES CCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C26H31N3O6S/c1-2-26(32)28-20-7-13-25(14-8-20)36(33,34)29-21-5-3-19(4-6-21)15-16-27-17-23(31)18-35-24-11-9-22(30)10-12-24/h3-14,23,27,29-31H,2,15-18H2,1H3,(H,28,32)/t23-/m0/s1
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n/an/an/an/a 1.40n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50070158
PNG
(CHEMBL13068 | N-[4-(4-{2-[(S)-2-Hydroxy-3-(4-hydro...)
Show SMILES CC(C)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C27H33N3O6S/c1-19(2)27(33)29-21-7-13-26(14-8-21)37(34,35)30-22-5-3-20(4-6-22)15-16-28-17-24(32)18-36-25-11-9-23(31)10-12-25/h3-14,19,24,28,30-32H,15-18H2,1-2H3,(H,29,33)/t24-/m0/s1
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n/an/an/an/a 1.20n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50070166
PNG
(CHEMBL268289 | Heptanoic acid [4-(4-{2-[(S)-2-hydr...)
Show SMILES CCCCCCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C30H39N3O6S/c1-2-3-4-5-6-30(36)32-24-11-17-29(18-12-24)40(37,38)33-25-9-7-23(8-10-25)19-20-31-21-27(35)22-39-28-15-13-26(34)14-16-28/h7-18,27,31,33-35H,2-6,19-22H2,1H3,(H,32,36)/t27-/m0/s1
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n/an/an/an/a 1.40n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50070168
PNG
(CHEMBL13389 | [4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy...)
Show SMILES COC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C25H29N3O7S/c1-34-25(31)27-19-6-12-24(13-7-19)36(32,33)28-20-4-2-18(3-5-20)14-15-26-16-22(30)17-35-23-10-8-21(29)9-11-23/h2-13,22,26,28-30H,14-17H2,1H3,(H,27,31)/t22-/m0/s1
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n/an/an/an/a 0.700n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50070179
PNG
(4-(3-Hexyl-3-methyl-ureido)-N-(4-{2-[(S)-2-hydroxy...)
Show SMILES CCCCCCN(C)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C31H42N4O6S/c1-3-4-5-6-21-35(2)31(38)33-25-11-17-30(18-12-25)42(39,40)34-26-9-7-24(8-10-26)19-20-32-22-28(37)23-41-29-15-13-27(36)14-16-29/h7-18,28,32,34,36-37H,3-6,19-23H2,1-2H3,(H,33,38)/t28-/m0/s1
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n/an/an/an/a 2.10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50070167
PNG
(4-(3-Heptyl-ureido)-N-(4-{2-[(S)-2-hydroxy-3-(4-hy...)
Show SMILES CCCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C31H42N4O6S/c1-2-3-4-5-6-20-33-31(38)34-25-11-17-30(18-12-25)42(39,40)35-26-9-7-24(8-10-26)19-21-32-22-28(37)23-41-29-15-13-27(36)14-16-29/h7-18,28,32,35-37H,2-6,19-23H2,1H3,(H2,33,34,38)/t28-/m0/s1
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n/an/an/an/a 2.80n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50070157
PNG
(CHEMBL13453 | N-[4-(4-{2-[(S)-2-Hydroxy-3-(4-hydro...)
Show SMILES CCCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C27H33N3O6S/c1-2-3-27(33)29-21-8-14-26(15-9-21)37(34,35)30-22-6-4-20(5-7-22)16-17-28-18-24(32)19-36-25-12-10-23(31)11-13-25/h4-15,24,28,30-32H,2-3,16-19H2,1H3,(H,29,33)/t24-/m0/s1
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n/an/an/an/a 6.80n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50070172
PNG
(4-(3-Cyclohexyl-ureido)-N-(4-{2-[(S)-2-hydroxy-3-(...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(NC(=O)NC3CCCCC3)cc2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C30H38N4O6S/c35-26-12-14-28(15-13-26)40-21-27(36)20-31-19-18-22-6-8-25(9-7-22)34-41(38,39)29-16-10-24(11-17-29)33-30(37)32-23-4-2-1-3-5-23/h6-17,23,27,31,34-36H,1-5,18-21H2,(H2,32,33,37)/t27-/m0/s1
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n/an/an/an/a 1.90n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50070177
PNG
(CHEMBL275511 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy...)
Show SMILES CCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C27H34N4O6S/c1-2-16-29-27(34)30-21-7-13-26(14-8-21)38(35,36)31-22-5-3-20(4-6-22)15-17-28-18-24(33)19-37-25-11-9-23(32)10-12-25/h3-14,24,28,31-33H,2,15-19H2,1H3,(H2,29,30,34)/t24-/m0/s1
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n/an/an/an/a 1.10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50070162
PNG
(CHEMBL273428 | N-[4-(4-{2-[(S)-2-Hydroxy-3-(4-hydr...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C25H29N3O6S/c1-18(29)27-20-6-12-25(13-7-20)35(32,33)28-21-4-2-19(3-5-21)14-15-26-16-23(31)17-34-24-10-8-22(30)9-11-24/h2-13,23,26,28,30-31H,14-17H2,1H3,(H,27,29)/t23-/m0/s1
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n/an/an/an/a 5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50070173
PNG
(CHEMBL12939 | [4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy...)
Show SMILES CCCCCCOC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C30H39N3O7S/c1-2-3-4-5-20-39-30(36)32-24-10-16-29(17-11-24)41(37,38)33-25-8-6-23(7-9-25)18-19-31-21-27(35)22-40-28-14-12-26(34)13-15-28/h6-17,27,31,33-35H,2-5,18-22H2,1H3,(H,32,36)/t27-/m0/s1
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n/an/an/an/a 11n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
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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n/an/an/an/a 6.30n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50070175
PNG
(CHEMBL13106 | [4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy...)
Show SMILES CC(C)OC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C27H33N3O7S/c1-19(2)37-27(33)29-21-7-13-26(14-8-21)38(34,35)30-22-5-3-20(4-6-22)15-16-28-17-24(32)18-36-25-11-9-23(31)10-12-25/h3-14,19,24,28,30-32H,15-18H2,1-2H3,(H,29,33)/t24-/m0/s1
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n/an/an/an/a 2.60n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50070164
PNG
(CHEMBL13132 | [4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(NC(=O)OCc3ccccc3)cc2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C31H33N3O7S/c35-27-12-14-29(15-13-27)40-22-28(36)20-32-19-18-23-6-8-26(9-7-23)34-42(38,39)30-16-10-25(11-17-30)33-31(37)41-21-24-4-2-1-3-5-24/h1-17,28,32,34-36H,18-22H2,(H,33,37)/t28-/m0/s1
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n/an/an/an/a 1n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 8: 1107-12 (1999)


BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%