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PubMed code 10888324

Compile data set for download or QSAR
Found 48 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))		BDBM50089469
PNG
(4-[5-(3-Cyclohexyl-propyl)-[1,2,4]oxadiazol-3-yl]-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(CCCC3CCCCC3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C32H39N5O4S/c38-30(27-9-5-20-33-22-27)23-34-21-19-25-11-15-28(16-12-25)37-42(39,40)29-17-13-26(14-18-29)32-35-31(41-36-32)10-4-8-24-6-2-1-3-7-24/h5,9,11-18,20,22,24,30,34,37-38H,1-4,6-8,10,19,21,23H2/t30-/m0/s1
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n/an/a 660n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Beta-2 adrenergic receptor prepared from CHO cells expressing the cloned human receptor in the presence of [125I]-iodocyanop...

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50089458
PNG
(4-[5-(3-Cyclopentyl-propyl)-[1,2,4]oxadiazol-3-yl]...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(CCCC3CCCC3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C31H37N5O4S/c37-29(26-8-4-19-32-21-26)22-33-20-18-24-10-14-27(15-11-24)36-41(38,39)28-16-12-25(13-17-28)31-34-30(40-35-31)9-3-7-23-5-1-2-6-23/h4,8,10-17,19,21,23,29,33,36-37H,1-3,5-7,9,18,20,22H2/t29-/m0/s1
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n/an/a 962n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Beta-2 adrenergic receptor prepared from CHO cells expressing the cloned human receptor in the presence of [125I]-iodocyanop...

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50089471
PNG
(4-(5-Hexyl-[1,2,4]oxadiazol-3-yl)-N-{4-[2-((R)-2-h...)
Show SMILES CCCCCCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C29H35N5O4S/c1-2-3-4-5-8-28-32-29(33-38-28)23-11-15-26(16-12-23)39(36,37)34-25-13-9-22(10-14-25)17-19-31-21-27(35)24-7-6-18-30-20-24/h6-7,9-16,18,20,27,31,34-35H,2-5,8,17,19,21H2,1H3/t27-/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
Binding affinity towards Beta-2 adrenergic receptor prepared from CHO cells expressing the cloned human receptor in the presence of [125I]-iodocyanop...

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50089457
PNG
(CHEMBL284965 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...)
Show SMILES CC(C)CCCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C29H35N5O4S/c1-21(2)5-3-7-28-32-29(33-38-28)23-10-14-26(15-11-23)39(36,37)34-25-12-8-22(9-13-25)16-18-31-20-27(35)24-6-4-17-30-19-24/h4,6,8-15,17,19,21,27,31,34-35H,3,5,7,16,18,20H2,1-2H3/t27-/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
Binding affinity towards Beta-2 adrenergic receptor prepared from CHO cells expressing the cloned human receptor in the presence of [125I]-iodocyanop...

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50089470
PNG
(4-(5-Heptyl-[1,2,4]oxadiazol-3-yl)-N-{4-[2-((R)-2-...)
Show SMILES CCCCCCCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C30H37N5O4S/c1-2-3-4-5-6-9-29-33-30(34-39-29)24-12-16-27(17-13-24)40(37,38)35-26-14-10-23(11-15-26)18-20-32-22-28(36)25-8-7-19-31-21-25/h7-8,10-17,19,21,28,32,35-36H,2-6,9,18,20,22H2,1H3/t28-/m0/s1
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n/an/a 1.42E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Beta-2 adrenergic receptor prepared from CHO cells expressing the cloned human receptor in the presence of [125I]-iodocyanop...

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50089469
PNG
(4-[5-(3-Cyclohexyl-propyl)-[1,2,4]oxadiazol-3-yl]-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(CCCC3CCCCC3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C32H39N5O4S/c38-30(27-9-5-20-33-22-27)23-34-21-19-25-11-15-28(16-12-25)37-42(39,40)29-17-13-26(14-18-29)32-35-31(41-36-32)10-4-8-24-6-2-1-3-7-24/h5,9,11-18,20,22,24,30,34,37-38H,1-4,6-8,10,19,21,23H2/t30-/m0/s1
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n/an/a 1.97E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Beta-1 adrenergic receptor prepared from CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50089471
PNG
(4-(5-Hexyl-[1,2,4]oxadiazol-3-yl)-N-{4-[2-((R)-2-h...)
Show SMILES CCCCCCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C29H35N5O4S/c1-2-3-4-5-8-28-32-29(33-38-28)23-11-15-26(16-12-23)39(36,37)34-25-13-9-22(10-14-25)17-19-31-21-27(35)24-7-6-18-30-20-24/h6-7,9-16,18,20,27,31,34-35H,2-5,8,17,19,21H2,1H3/t27-/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
Binding affinity towards cloned human Beta-1 adrenergic receptor prepared from CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50089470
PNG
(4-(5-Heptyl-[1,2,4]oxadiazol-3-yl)-N-{4-[2-((R)-2-...)
Show SMILES CCCCCCCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C30H37N5O4S/c1-2-3-4-5-6-9-29-33-30(34-39-29)24-12-16-27(17-13-24)40(37,38)35-26-14-10-23(11-15-26)18-20-32-22-28(36)25-8-7-19-31-21-25/h7-8,10-17,19,21,28,32,35-36H,2-6,9,18,20,22H2,1H3/t28-/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
Binding affinity towards cloned human Beta-1 adrenergic receptor prepared from CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50089465
PNG
(CHEMBL285458 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...)
Show SMILES CCCCCCCCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C31H39N5O4S/c1-2-3-4-5-6-7-10-30-34-31(35-40-30)25-13-17-28(18-14-25)41(38,39)36-27-15-11-24(12-16-27)19-21-33-23-29(37)26-9-8-20-32-22-26/h8-9,11-18,20,22,29,33,36-37H,2-7,10,19,21,23H2,1H3/t29-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Beta-2 adrenergic receptor prepared from CHO cells expressing the cloned human receptor in the presence of [125I]-iodocyanop...

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50089468
PNG
(4-[5-(2-Cyclopentyloxy-ethyl)-[1,2,4]oxadiazol-3-y...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(CCOC3CCCC3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C30H35N5O5S/c36-28(24-4-3-17-31-20-24)21-32-18-15-22-7-11-25(12-8-22)35-41(37,38)27-13-9-23(10-14-27)30-33-29(40-34-30)16-19-39-26-5-1-2-6-26/h3-4,7-14,17,20,26,28,32,35-36H,1-2,5-6,15-16,18-19,21H2/t28-/m0/s1
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n/an/a 2.67E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Beta-2 adrenergic receptor prepared from CHO cells expressing the cloned human receptor in the presence of [125I]-iodocyanop...

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50089467
PNG
(CHEMBL33725 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...)
Show SMILES CCCCCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C28H33N5O4S/c1-2-3-4-7-27-31-28(32-37-27)22-10-14-25(15-11-22)38(35,36)33-24-12-8-21(9-13-24)16-18-30-20-26(34)23-6-5-17-29-19-23/h5-6,8-15,17,19,26,30,33-34H,2-4,7,16,18,20H2,1H3/t26-/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Beta-2 adrenergic receptor prepared from CHO cells expressing the cloned human receptor in the presence of [125I]-iodocyanop...

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50089458
PNG
(4-[5-(3-Cyclopentyl-propyl)-[1,2,4]oxadiazol-3-yl]...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(CCCC3CCCC3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C31H37N5O4S/c37-29(26-8-4-19-32-21-26)22-33-20-18-24-10-14-27(15-11-24)36-41(38,39)28-16-12-25(13-17-28)31-34-30(40-35-31)9-3-7-23-5-1-2-6-23/h4,8,10-17,19,21,23,29,33,36-37H,1-3,5-7,9,18,20,22H2/t29-/m0/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Beta-1 adrenergic receptor prepared from CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50089467
PNG
(CHEMBL33725 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...)
Show SMILES CCCCCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C28H33N5O4S/c1-2-3-4-7-27-31-28(32-37-27)22-10-14-25(15-11-22)38(35,36)33-24-12-8-21(9-13-24)16-18-30-20-26(34)23-6-5-17-29-19-23/h5-6,8-15,17,19,26,30,33-34H,2-4,7,16,18,20H2,1H3/t26-/m0/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Beta-1 adrenergic receptor prepared from CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50089460
PNG
(4-(5-Butyl-[1,2,4]oxadiazol-3-yl)-N-{4-[2-((R)-2-h...)
Show SMILES CCCCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C27H31N5O4S/c1-2-3-6-26-30-27(31-36-26)21-9-13-24(14-10-21)37(34,35)32-23-11-7-20(8-12-23)15-17-29-19-25(33)22-5-4-16-28-18-22/h4-5,7-14,16,18,25,29,32-33H,2-3,6,15,17,19H2,1H3/t25-/m0/s1
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n/an/a 6.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Beta-2 adrenergic receptor prepared from CHO cells expressing the cloned human receptor in the presence of [125I]-iodocyanop...

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50089468
PNG
(4-[5-(2-Cyclopentyloxy-ethyl)-[1,2,4]oxadiazol-3-y...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(CCOC3CCCC3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C30H35N5O5S/c36-28(24-4-3-17-31-20-24)21-32-18-15-22-7-11-25(12-8-22)35-41(37,38)27-13-9-23(10-14-27)30-33-29(40-34-30)16-19-39-26-5-1-2-6-26/h3-4,7-14,17,20,26,28,32,35-36H,1-2,5-6,15-16,18-19,21H2/t28-/m0/s1
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n/an/a 8.33E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Beta-1 adrenergic receptor prepared from CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50089461
PNG
(CHEMBL33013 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...)
Show SMILES CCCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C26H29N5O4S/c1-2-4-25-29-26(30-35-25)20-8-12-23(13-9-20)36(33,34)31-22-10-6-19(7-11-22)14-16-28-18-24(32)21-5-3-15-27-17-21/h3,5-13,15,17,24,28,31-32H,2,4,14,16,18H2,1H3/t24-/m0/s1
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n/an/a 8.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Beta-2 adrenergic receptor prepared from CHO cells expressing the cloned human receptor in the presence of [125I]-iodocyanop...

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50089461
PNG
(CHEMBL33013 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...)
Show SMILES CCCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C26H29N5O4S/c1-2-4-25-29-26(30-35-25)20-8-12-23(13-9-20)36(33,34)31-22-10-6-19(7-11-22)14-16-28-18-24(32)21-5-3-15-27-17-21/h3,5-13,15,17,24,28,31-32H,2,4,14,16,18H2,1H3/t24-/m0/s1
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n/an/a 8.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Beta-1 adrenergic receptor prepared from CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50089465
PNG
(CHEMBL285458 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...)
Show SMILES CCCCCCCCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C31H39N5O4S/c1-2-3-4-5-6-7-10-30-34-31(35-40-30)25-13-17-28(18-14-25)41(38,39)36-27-15-11-24(12-16-27)19-21-33-23-29(37)26-9-8-20-32-22-26/h8-9,11-18,20,22,29,33,36-37H,2-7,10,19,21,23H2,1H3/t29-/m0/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Beta-1 adrenergic receptor prepared from CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50089459
PNG
(CHEMBL33168 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...)
Show SMILES Cc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C24H25N5O4S/c1-17-27-24(28-33-17)19-6-10-22(11-7-19)34(31,32)29-21-8-4-18(5-9-21)12-14-26-16-23(30)20-3-2-13-25-15-20/h2-11,13,15,23,26,29-30H,12,14,16H2,1H3/t23-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Beta-2 adrenergic receptor prepared from CHO cells expressing the cloned human receptor in the presence of [125I]-iodocyanop...

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50089459
PNG
(CHEMBL33168 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...)
Show SMILES Cc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C24H25N5O4S/c1-17-27-24(28-33-17)19-6-10-22(11-7-19)34(31,32)29-21-8-4-18(5-9-21)12-14-26-16-23(30)20-3-2-13-25-15-20/h2-11,13,15,23,26,29-30H,12,14,16H2,1H3/t23-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Beta-1 adrenergic receptor prepared from CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50089466
PNG
(4-[5-(4-Hydroxy-pentyl)-[1,2,4]oxadiazol-3-yl]-N-{...)
Show SMILES CC(O)CCCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C28H33N5O5S/c1-20(34)4-2-6-27-31-28(32-38-27)22-9-13-25(14-10-22)39(36,37)33-24-11-7-21(8-12-24)15-17-30-19-26(35)23-5-3-16-29-18-23/h3,5,7-14,16,18,20,26,30,33-35H,2,4,6,15,17,19H2,1H3/t20?,26-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Beta-1 adrenergic receptor prepared from CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50089463
PNG
(CHEMBL33438 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...)
Show SMILES CCC(=O)CCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C28H31N5O5S/c1-2-24(34)11-14-27-31-28(32-38-27)21-7-12-25(13-8-21)39(36,37)33-23-9-5-20(6-10-23)15-17-30-19-26(35)22-4-3-16-29-18-22/h3-10,12-13,16,18,26,30,33,35H,2,11,14-15,17,19H2,1H3/t26-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Beta-2 adrenergic receptor prepared from CHO cells expressing the cloned human receptor in the presence of [125I]-iodocyanop...

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50089462
PNG
(4-[5-(3-Hydroxy-pentyl)-[1,2,4]oxadiazol-3-yl]-N-{...)
Show SMILES CCC(O)CCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C28H33N5O5S/c1-2-24(34)11-14-27-31-28(32-38-27)21-7-12-25(13-8-21)39(36,37)33-23-9-5-20(6-10-23)15-17-30-19-26(35)22-4-3-16-29-18-22/h3-10,12-13,16,18,24,26,30,33-35H,2,11,14-15,17,19H2,1H3/t24?,26-/m0/s1
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n/an/a 2.40E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Beta-2 adrenergic receptor prepared from CHO cells expressing the cloned human receptor in the presence of [125I]-iodocyanop...

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50089463
PNG
(CHEMBL33438 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...)
Show SMILES CCC(=O)CCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C28H31N5O5S/c1-2-24(34)11-14-27-31-28(32-38-27)21-7-12-25(13-8-21)39(36,37)33-23-9-5-20(6-10-23)15-17-30-19-26(35)22-4-3-16-29-18-22/h3-10,12-13,16,18,26,30,33,35H,2,11,14-15,17,19H2,1H3/t26-/m0/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Beta-1 adrenergic receptor prepared from CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50089457
PNG
(CHEMBL284965 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...)
Show SMILES CC(C)CCCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C29H35N5O4S/c1-21(2)5-3-7-28-32-29(33-38-28)23-10-14-26(15-11-23)39(36,37)34-25-12-8-22(9-13-25)16-18-31-20-27(35)24-6-4-17-30-19-24/h4,6,8-15,17,19,21,27,31,34-35H,3,5,7,16,18,20H2,1-2H3/t27-/m0/s1
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n/an/a 2.60E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Beta-1 adrenergic receptor prepared from CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50089456
PNG
(CHEMBL32996 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(CCC(=O)N3CCCC3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C30H34N6O5S/c37-27(24-4-3-16-31-20-24)21-32-17-15-22-5-9-25(10-6-22)35-42(39,40)26-11-7-23(8-12-26)30-33-28(41-34-30)13-14-29(38)36-18-1-2-19-36/h3-12,16,20,27,32,35,37H,1-2,13-15,17-19,21H2/t27-/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Beta-1 adrenergic receptor prepared from CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50089466
PNG
(4-[5-(4-Hydroxy-pentyl)-[1,2,4]oxadiazol-3-yl]-N-{...)
Show SMILES CC(O)CCCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C28H33N5O5S/c1-20(34)4-2-6-27-31-28(32-38-27)22-9-13-25(14-10-22)39(36,37)33-24-11-7-21(8-12-24)15-17-30-19-26(35)23-5-3-16-29-18-23/h3,5,7-14,16,18,20,26,30,33-35H,2,4,6,15,17,19H2,1H3/t20?,26-/m0/s1
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n/an/a 4.40E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Beta-2 adrenergic receptor prepared from CHO cells expressing the cloned human receptor in the presence of [125I]-iodocyanop...

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50089456
PNG
(CHEMBL32996 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(CCC(=O)N3CCCC3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C30H34N6O5S/c37-27(24-4-3-16-31-20-24)21-32-17-15-22-5-9-25(10-6-22)35-42(39,40)26-11-7-23(8-12-26)30-33-28(41-34-30)13-14-29(38)36-18-1-2-19-36/h3-12,16,20,27,32,35,37H,1-2,13-15,17-19,21H2/t27-/m0/s1
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n/an/a 5.10E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Beta-2 adrenergic receptor prepared from CHO cells expressing the cloned human receptor in the presence of [125I]-iodocyanop...

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50089460
PNG
(4-(5-Butyl-[1,2,4]oxadiazol-3-yl)-N-{4-[2-((R)-2-h...)
Show SMILES CCCCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C27H31N5O4S/c1-2-3-6-26-30-27(31-36-26)21-9-13-24(14-10-21)37(34,35)32-23-11-7-20(8-12-23)15-17-29-19-25(33)22-5-4-16-28-18-22/h4-5,7-14,16,18,25,29,32-33H,2-3,6,15,17,19H2,1H3/t25-/m0/s1
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n/an/a 5.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Beta-1 adrenergic receptor prepared from CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50089462
PNG
(4-[5-(3-Hydroxy-pentyl)-[1,2,4]oxadiazol-3-yl]-N-{...)
Show SMILES CCC(O)CCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C28H33N5O5S/c1-2-24(34)11-14-27-31-28(32-38-27)21-7-12-25(13-8-21)39(36,37)33-23-9-5-20(6-10-23)15-17-30-19-26(35)22-4-3-16-29-18-22/h3-10,12-13,16,18,24,26,30,33-35H,2,11,14-15,17,19H2,1H3/t24?,26-/m0/s1
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n/an/a 5.60E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Beta-1 adrenergic receptor prepared from CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50089464
PNG
(CHEMBL286800 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...)
Show SMILES CC(=O)CCCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C28H31N5O5S/c1-20(34)4-2-6-27-31-28(32-38-27)22-9-13-25(14-10-22)39(36,37)33-24-11-7-21(8-12-24)15-17-30-19-26(35)23-5-3-16-29-18-23/h3,5,7-14,16,18,26,30,33,35H,2,4,6,15,17,19H2,1H3/t26-/m0/s1
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n/an/a 5.70E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Beta-2 adrenergic receptor prepared from CHO cells expressing the cloned human receptor in the presence of [125I]-iodocyanop...

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50089464
PNG
(CHEMBL286800 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...)
Show SMILES CC(=O)CCCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C28H31N5O5S/c1-20(34)4-2-6-27-31-28(32-38-27)22-9-13-25(14-10-22)39(36,37)33-24-11-7-21(8-12-24)15-17-30-19-26(35)23-5-3-16-29-18-23/h3,5,7-14,16,18,26,30,33,35H,2,4,6,15,17,19H2,1H3/t26-/m0/s1
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n/an/a 7.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Beta-1 adrenergic receptor prepared from CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50089464
PNG
(CHEMBL286800 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...)
Show SMILES CC(=O)CCCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C28H31N5O5S/c1-20(34)4-2-6-27-31-28(32-38-27)22-9-13-25(14-10-22)39(36,37)33-24-11-7-21(8-12-24)15-17-30-19-26(35)23-5-3-16-29-18-23/h3,5,7-14,16,18,26,30,33,35H,2,4,6,15,17,19H2,1H3/t26-/m0/s1
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n/an/an/an/a 130n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity as increasedn cAMP production in Chinese hamster ovary (CHO)cells expressing human beta-3 adrenergic receptor

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50089461
PNG
(CHEMBL33013 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...)
Show SMILES CCCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C26H29N5O4S/c1-2-4-25-29-26(30-35-25)20-8-12-23(13-9-20)36(33,34)31-22-10-6-19(7-11-22)14-16-28-18-24(32)21-5-3-15-27-17-21/h3,5-13,15,17,24,28,31-32H,2,4,14,16,18H2,1H3/t24-/m0/s1
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n/an/an/an/a 87n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity as increasedn cAMP production in Chinese hamster ovary (CHO)cells expressing human beta-3 adrenergic receptor

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50089465
PNG
(CHEMBL285458 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...)
Show SMILES CCCCCCCCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C31H39N5O4S/c1-2-3-4-5-6-7-10-30-34-31(35-40-30)25-13-17-28(18-14-25)41(38,39)36-27-15-11-24(12-16-27)19-21-33-23-29(37)26-9-8-20-32-22-26/h8-9,11-18,20,22,29,33,36-37H,2-7,10,19,21,23H2,1H3/t29-/m0/s1
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n/an/an/an/a 54n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity as increasedn cAMP production in Chinese hamster ovary (CHO)cells expressing human beta-3 adrenergic receptor

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50089469
PNG
(4-[5-(3-Cyclohexyl-propyl)-[1,2,4]oxadiazol-3-yl]-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(CCCC3CCCCC3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C32H39N5O4S/c38-30(27-9-5-20-33-22-27)23-34-21-19-25-11-15-28(16-12-25)37-42(39,40)29-17-13-26(14-18-29)32-35-31(41-36-32)10-4-8-24-6-2-1-3-7-24/h5,9,11-18,20,22,24,30,34,37-38H,1-4,6-8,10,19,21,23H2/t30-/m0/s1
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n/an/an/an/a 19n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity as increasedn cAMP production in Chinese hamster ovary (CHO)cells expressing human beta-3 adrenergic receptor

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50089459
PNG
(CHEMBL33168 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...)
Show SMILES Cc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C24H25N5O4S/c1-17-27-24(28-33-17)19-6-10-22(11-7-19)34(31,32)29-21-8-4-18(5-9-21)12-14-26-16-23(30)20-3-2-13-25-15-20/h2-11,13,15,23,26,29-30H,12,14,16H2,1H3/t23-/m0/s1
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n/an/an/an/a>100n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity as increasedn cAMP production in Chinese hamster ovary (CHO)cells expressing human beta-3 adrenergic receptor

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50089471
PNG
(4-(5-Hexyl-[1,2,4]oxadiazol-3-yl)-N-{4-[2-((R)-2-h...)
Show SMILES CCCCCCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C29H35N5O4S/c1-2-3-4-5-8-28-32-29(33-38-28)23-11-15-26(16-12-23)39(36,37)34-25-13-9-22(10-14-25)17-19-31-21-27(35)24-7-6-18-30-20-24/h6-7,9-16,18,20,27,31,34-35H,2-5,8,17,19,21H2,1H3/t27-/m0/s1
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n/an/an/an/a 35n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity as increasedn cAMP production in Chinese hamster ovary (CHO)cells expressing human beta-3 adrenergic receptor

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50089470
PNG
(4-(5-Heptyl-[1,2,4]oxadiazol-3-yl)-N-{4-[2-((R)-2-...)
Show SMILES CCCCCCCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C30H37N5O4S/c1-2-3-4-5-6-9-29-33-30(34-39-29)24-12-16-27(17-13-24)40(37,38)35-26-14-10-23(11-15-26)18-20-32-22-28(36)25-8-7-19-31-21-25/h7-8,10-17,19,21,28,32,35-36H,2-6,9,18,20,22H2,1H3/t28-/m0/s1
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n/an/an/an/a 39n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity as increasedn cAMP production in Chinese hamster ovary (CHO)cells expressing human beta-3 adrenergic receptor

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50089457
PNG
(CHEMBL284965 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...)
Show SMILES CC(C)CCCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C29H35N5O4S/c1-21(2)5-3-7-28-32-29(33-38-28)23-10-14-26(15-11-23)39(36,37)34-25-12-8-22(9-13-25)16-18-31-20-27(35)24-6-4-17-30-19-24/h4,6,8-15,17,19,21,27,31,34-35H,3,5,7,16,18,20H2,1-2H3/t27-/m0/s1
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n/an/an/an/a 29n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity as increasedn cAMP production in Chinese hamster ovary (CHO)cells expressing human beta-3 adrenergic receptor

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50089460
PNG
(4-(5-Butyl-[1,2,4]oxadiazol-3-yl)-N-{4-[2-((R)-2-h...)
Show SMILES CCCCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C27H31N5O4S/c1-2-3-6-26-30-27(31-36-26)21-9-13-24(14-10-21)37(34,35)32-23-11-7-20(8-12-23)15-17-29-19-25(33)22-5-4-16-28-18-22/h4-5,7-14,16,18,25,29,32-33H,2-3,6,15,17,19H2,1H3/t25-/m0/s1
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n/an/an/an/a 32n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity as increasedn cAMP production in Chinese hamster ovary (CHO)cells expressing human beta-3 adrenergic receptor

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50089467
PNG
(CHEMBL33725 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...)
Show SMILES CCCCCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C28H33N5O4S/c1-2-3-4-7-27-31-28(32-37-27)22-10-14-25(15-11-22)38(35,36)33-24-12-8-21(9-13-24)16-18-30-20-26(34)23-6-5-17-29-19-23/h5-6,8-15,17,19,26,30,33-34H,2-4,7,16,18,20H2,1H3/t26-/m0/s1
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n/an/an/an/a 23n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity as increasedn cAMP production in Chinese hamster ovary (CHO)cells expressing human beta-3 adrenergic receptor

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50089463
PNG
(CHEMBL33438 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...)
Show SMILES CCC(=O)CCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C28H31N5O5S/c1-2-24(34)11-14-27-31-28(32-38-27)21-7-12-25(13-8-21)39(36,37)33-23-9-5-20(6-10-23)15-17-30-19-26(35)22-4-3-16-29-18-22/h3-10,12-13,16,18,26,30,33,35H,2,11,14-15,17,19H2,1H3/t26-/m0/s1
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n/an/an/an/a 66n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity as increasedn cAMP production in Chinese hamster ovary (CHO)cells expressing human beta-3 adrenergic receptor

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50089462
PNG
(4-[5-(3-Hydroxy-pentyl)-[1,2,4]oxadiazol-3-yl]-N-{...)
Show SMILES CCC(O)CCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C28H33N5O5S/c1-2-24(34)11-14-27-31-28(32-38-27)21-7-12-25(13-8-21)39(36,37)33-23-9-5-20(6-10-23)15-17-30-19-26(35)22-4-3-16-29-18-22/h3-10,12-13,16,18,24,26,30,33-35H,2,11,14-15,17,19H2,1H3/t24?,26-/m0/s1
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n/an/an/an/a 75n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity as increasedn cAMP production in Chinese hamster ovary (CHO)cells expressing human beta-3 adrenergic receptor

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50089456
PNG
(CHEMBL32996 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(CCC(=O)N3CCCC3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C30H34N6O5S/c37-27(24-4-3-16-31-20-24)21-32-17-15-22-5-9-25(10-6-22)35-42(39,40)26-11-7-23(8-12-26)30-33-28(41-34-30)13-14-29(38)36-18-1-2-19-36/h3-12,16,20,27,32,35,37H,1-2,13-15,17-19,21H2/t27-/m0/s1
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n/an/an/an/a 120n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity as increasedn cAMP production in Chinese hamster ovary (CHO)cells expressing human beta-3 adrenergic receptor

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50089458
PNG
(4-[5-(3-Cyclopentyl-propyl)-[1,2,4]oxadiazol-3-yl]...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(CCCC3CCCC3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C31H37N5O4S/c37-29(26-8-4-19-32-21-26)22-33-20-18-24-10-14-27(15-11-24)36-41(38,39)28-16-12-25(13-17-28)31-34-30(40-35-31)9-3-7-23-5-1-2-6-23/h4,8,10-17,19,21,23,29,33,36-37H,1-3,5-7,9,18,20,22H2/t29-/m0/s1
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n/an/an/an/a 15n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity as increasedn cAMP production in Chinese hamster ovary (CHO)cells expressing human beta-3 adrenergic receptor

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50089468
PNG
(4-[5-(2-Cyclopentyloxy-ethyl)-[1,2,4]oxadiazol-3-y...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(CCOC3CCCC3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C30H35N5O5S/c36-28(24-4-3-17-31-20-24)21-32-18-15-22-7-11-25(12-8-22)35-41(37,38)27-13-9-23(10-14-27)30-33-29(40-34-30)16-19-39-26-5-1-2-6-26/h3-4,7-14,17,20,26,28,32,35-36H,1-2,5-6,15-16,18-19,21H2/t28-/m0/s1
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n/an/an/an/a 13n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity as increasedn cAMP production in Chinese hamster ovary (CHO)cells expressing human beta-3 adrenergic receptor

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50089466
PNG
(4-[5-(4-Hydroxy-pentyl)-[1,2,4]oxadiazol-3-yl]-N-{...)
Show SMILES CC(O)CCCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C28H33N5O5S/c1-20(34)4-2-6-27-31-28(32-38-27)22-9-13-25(14-10-22)39(36,37)33-24-11-7-21(8-12-24)15-17-30-19-26(35)23-5-3-16-29-18-23/h3,5,7-14,16,18,20,26,30,33-35H,2,4,6,15,17,19H2,1H3/t20?,26-/m0/s1
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n/an/an/an/a>100n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity as increasedn cAMP production in Chinese hamster ovary (CHO)cells expressing human beta-3 adrenergic receptor

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%