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PubMed code 9873496

Compile data set for download or QSAR
Found 80 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))		BDBM50071296
PNG
(CHEMBL64201 | N-(4-{2-[(S)-3-(6-Amino-pyridin-3-yl...)
Show SMILES Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(I)cc3)cc2)cn1
Show InChI InChI=1S/C22H25IN4O4S/c23-17-3-8-21(9-4-17)32(29,30)27-18-5-1-16(2-6-18)11-12-25-13-19(28)15-31-20-7-10-22(24)26-14-20/h1-10,14,19,25,27-28H,11-13,15H2,(H2,24,26)/t19-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50071291
PNG
(CHEMBL442172 | N-{4-[2-((S)-2-Hydroxy-3-phenoxy-pr...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1)COc1ccccc1
Show InChI InChI=1S/C23H25IN2O4S/c24-19-8-12-23(13-9-19)31(28,29)26-20-10-6-18(7-11-20)14-15-25-16-21(27)17-30-22-4-2-1-3-5-22/h1-13,21,25-27H,14-17H2/t21-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50071291
PNG
(CHEMBL442172 | N-{4-[2-((S)-2-Hydroxy-3-phenoxy-pr...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1)COc1ccccc1
Show InChI InChI=1S/C23H25IN2O4S/c24-19-8-12-23(13-9-19)31(28,29)26-20-10-6-18(7-11-20)14-15-25-16-21(27)17-30-22-4-2-1-3-5-22/h1-13,21,25-27H,14-17H2/t21-/m0/s1
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n/an/a 80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity and the binding affinity against human Beta-1 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50071300
PNG
(4-Ethyl-N-(4-{2-[(S)-2-hydroxy-3-(pyridin-3-yloxy)...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1
Show InChI InChI=1S/C24H29N3O4S/c1-2-19-7-11-24(12-8-19)32(29,30)27-21-9-5-20(6-10-21)13-15-26-16-22(28)18-31-23-4-3-14-25-17-23/h3-12,14,17,22,26-28H,2,13,15-16,18H2,1H3/t22-/m0/s1
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n/an/a 94n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50071278
PNG
(CHEMBL304878 | N-(4-{2-[(S)-3-(4-Fluoro-phenoxy)-2...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1)COc1ccc(F)cc1
Show InChI InChI=1S/C23H24FIN2O4S/c24-18-3-9-22(10-4-18)31-16-21(28)15-26-14-13-17-1-7-20(8-2-17)27-32(29,30)23-11-5-19(25)6-12-23/h1-12,21,26-28H,13-16H2/t21-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50071294
PNG
(CHEMBL294042 | L-74372 | N-(4-{2-[(S)-2-Hydroxy-3-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1)COc1cccnc1
Show InChI InChI=1S/C22H24IN3O4S/c23-18-5-9-22(10-6-18)31(28,29)26-19-7-3-17(4-8-19)11-13-25-14-20(27)16-30-21-2-1-12-24-15-21/h1-10,12,15,20,25-27H,11,13-14,16H2/t20-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50071290
PNG
(CHEMBL304090 | N-(4-{2-[(S)-3-(6-Amino-pyridin-3-y...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(N)nc2)cc1
Show InChI InChI=1S/C24H30N4O4S/c1-2-18-5-10-23(11-6-18)33(30,31)28-20-7-3-19(4-8-20)13-14-26-15-21(29)17-32-22-9-12-24(25)27-16-22/h3-12,16,21,26,28-29H,2,13-15,17H2,1H3,(H2,25,27)/t21-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50070152
PNG
(CHEMBL276257 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C23H25IN2O5S/c24-18-3-11-23(12-4-18)32(29,30)26-19-5-1-17(2-6-19)13-14-25-15-21(28)16-31-22-9-7-20(27)8-10-22/h1-12,21,25-28H,13-16H2/t21-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50071292
PNG
(CHEMBL67886 | N-(4-{2-[(S)-2-Hydroxy-3-(4-methoxy-...)
Show SMILES COc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(I)cc3)cc2)cc1
Show InChI InChI=1S/C24H27IN2O5S/c1-31-22-8-10-23(11-9-22)32-17-21(28)16-26-15-14-18-2-6-20(7-3-18)27-33(29,30)24-12-4-19(25)5-13-24/h2-13,21,26-28H,14-17H2,1H3/t21-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


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

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity and the binding affinity against human Beta-1 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50071285
PNG
(4-Bromo-N-(4-{2-[(S)-2-hydroxy-3-(pyridin-3-yloxy)...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)COc1cccnc1
Show InChI InChI=1S/C22H24BrN3O4S/c23-18-5-9-22(10-6-18)31(28,29)26-19-7-3-17(4-8-19)11-13-25-14-20(27)16-30-21-2-1-12-24-15-21/h1-10,12,15,20,25-27H,11,13-14,16H2/t20-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50071279
PNG
(3,4-Dichloro-N-(4-{2-[(S)-2-hydroxy-3-(pyridin-3-y...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)COc1cccnc1
Show InChI InChI=1S/C22H23Cl2N3O4S/c23-21-8-7-20(12-22(21)24)32(29,30)27-17-5-3-16(4-6-17)9-11-26-13-18(28)15-31-19-2-1-10-25-14-19/h1-8,10,12,14,18,26-28H,9,11,13,15H2/t18-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity and the binding affinity against human Beta-1 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50071279
PNG
(3,4-Dichloro-N-(4-{2-[(S)-2-hydroxy-3-(pyridin-3-y...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)COc1cccnc1
Show InChI InChI=1S/C22H23Cl2N3O4S/c23-21-8-7-20(12-22(21)24)32(29,30)27-17-5-3-16(4-6-17)9-11-26-13-18(28)15-31-19-2-1-10-25-14-19/h1-8,10,12,14,18,26-28H,9,11,13,15H2/t18-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50071276
PNG
(CHEMBL66859 | N-(4-{2-[(S)-3-(6-Amino-pyridin-3-yl...)
Show SMILES Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)cn1
Show InChI InChI=1S/C22H24Cl2N4O4S/c23-20-7-6-19(11-21(20)24)33(30,31)28-16-3-1-15(2-4-16)9-10-26-12-17(29)14-32-18-5-8-22(25)27-13-18/h1-8,11,13,17,26,28-29H,9-10,12,14H2,(H2,25,27)/t17-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50071287
PNG
(CHEMBL63842 | N-(4-{2-[(S)-3-(6-Amino-pyridin-3-yl...)
Show SMILES Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)cn1
Show InChI InChI=1S/C22H25BrN4O4S/c23-17-3-8-21(9-4-17)32(29,30)27-18-5-1-16(2-6-18)11-12-25-13-19(28)15-31-20-7-10-22(24)26-14-20/h1-10,14,19,25,27-28H,11-13,15H2,(H2,24,26)/t19-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50071298
PNG
(CHEMBL292947 | N-(4-{2-[(S)-2-Hydroxy-3-(pyridin-3...)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1
Show InChI InChI=1S/C25H31N3O4S/c1-19(2)21-7-11-25(12-8-21)33(30,31)28-22-9-5-20(6-10-22)13-15-27-16-23(29)18-32-24-4-3-14-26-17-24/h3-12,14,17,19,23,27-29H,13,15-16,18H2,1-2H3/t23-/m0/s1
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n/an/a 410n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50071293
PNG
(4-(3-Hexyl-ureido)-N-(4-{2-[(S)-2-hydroxy-3-(pyrid...)
Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1
Show InChI InChI=1S/C29H39N5O5S/c1-2-3-4-5-18-32-29(36)33-24-12-14-28(15-13-24)40(37,38)34-25-10-8-23(9-11-25)16-19-31-20-26(35)22-39-27-7-6-17-30-21-27/h6-15,17,21,26,31,34-35H,2-5,16,18-20,22H2,1H3,(H2,32,33,36)/t26-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50071284
PNG
(4-Chloro-N-(4-{2-[(S)-2-hydroxy-3-(pyridin-3-yloxy...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1)COc1cccnc1
Show InChI InChI=1S/C22H24ClN3O4S/c23-18-5-9-22(10-6-18)31(28,29)26-19-7-3-17(4-8-19)11-13-25-14-20(27)16-30-21-2-1-12-24-15-21/h1-10,12,15,20,25-27H,11,13-14,16H2/t20-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50071290
PNG
(CHEMBL304090 | N-(4-{2-[(S)-3-(6-Amino-pyridin-3-y...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(N)nc2)cc1
Show InChI InChI=1S/C24H30N4O4S/c1-2-18-5-10-23(11-6-18)33(30,31)28-20-7-3-19(4-8-20)13-14-26-15-21(29)17-32-22-9-12-24(25)27-16-22/h3-12,16,21,26,28-29H,2,13-15,17H2,1H3,(H2,25,27)/t21-/m0/s1
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n/an/a 440n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity and the binding affinity against human Beta-1 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50071276
PNG
(CHEMBL66859 | N-(4-{2-[(S)-3-(6-Amino-pyridin-3-yl...)
Show SMILES Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)cn1
Show InChI InChI=1S/C22H24Cl2N4O4S/c23-20-7-6-19(11-21(20)24)33(30,31)28-16-3-1-15(2-4-16)9-10-26-12-17(29)14-32-18-5-8-22(25)27-13-18/h1-8,11,13,17,26,28-29H,9-10,12,14H2,(H2,25,27)/t17-/m0/s1
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n/an/a 470n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity and the binding affinity against human Beta-1 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50071297
PNG
(CHEMBL68334 | Quinoline-3-sulfonic acid (4-{2-[(S)...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2cnc3ccccc3c2)cc1)COc1cccnc1
Show InChI InChI=1S/C25H26N4O4S/c30-22(18-33-23-5-3-12-26-16-23)15-27-13-11-19-7-9-21(10-8-19)29-34(31,32)24-14-20-4-1-2-6-25(20)28-17-24/h1-10,12,14,16-17,22,27,29-30H,11,13,15,18H2/t22-/m0/s1
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n/an/a 490n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50071295
PNG
(CHEMBL66964 | N-(4-{2-[(S)-2-Hydroxy-3-(pyridin-3-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1
Show InChI InChI=1S/C23H27N3O5S/c1-30-21-8-10-23(11-9-21)32(28,29)26-19-6-4-18(5-7-19)12-14-25-15-20(27)17-31-22-3-2-13-24-16-22/h2-11,13,16,20,25-27H,12,14-15,17H2,1H3/t20-/m0/s1
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n/an/a 520n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50071282
PNG
(CHEMBL64760 | N-(4-{2-[(S)-3-(6-Amino-pyridin-3-yl...)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(N)nc2)cc1
Show InChI InChI=1S/C25H32N4O4S/c1-18(2)20-5-10-24(11-6-20)34(31,32)29-21-7-3-19(4-8-21)13-14-27-15-22(30)17-33-23-9-12-25(26)28-16-23/h3-12,16,18,22,27,29-30H,13-15,17H2,1-2H3,(H2,26,28)/t22-/m0/s1
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n/an/a 540n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50071300
PNG
(4-Ethyl-N-(4-{2-[(S)-2-hydroxy-3-(pyridin-3-yloxy)...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1
Show InChI InChI=1S/C24H29N3O4S/c1-2-19-7-11-24(12-8-19)32(29,30)27-21-9-5-20(6-10-21)13-15-26-16-22(28)18-31-23-4-3-14-25-17-23/h3-12,14,17,22,26-28H,2,13,15-16,18H2,1H3/t22-/m0/s1
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n/an/a 590n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity and the binding affinity against human Beta-1 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50071293
PNG
(4-(3-Hexyl-ureido)-N-(4-{2-[(S)-2-hydroxy-3-(pyrid...)
Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1
Show InChI InChI=1S/C29H39N5O5S/c1-2-3-4-5-18-32-29(36)33-24-12-14-28(15-13-24)40(37,38)34-25-10-8-23(9-11-25)16-19-31-20-26(35)22-39-27-7-6-17-30-21-27/h6-15,17,21,26,31,34-35H,2-5,16,18-20,22H2,1H3,(H2,32,33,36)/t26-/m0/s1
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n/an/a 600n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity and the binding affinity against human Beta-1 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50071288
PNG
(CHEMBL67416 | N-(4-{2-[(S)-3-(6-Amino-pyridin-3-yl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(N)nc2)cc1
Show InChI InChI=1S/C23H28N4O5S/c1-31-20-6-9-22(10-7-20)33(29,30)27-18-4-2-17(3-5-18)12-13-25-14-19(28)16-32-21-8-11-23(24)26-15-21/h2-11,15,19,25,27-28H,12-14,16H2,1H3,(H2,24,26)/t19-/m0/s1
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n/an/a 620n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50071286
PNG
(CHEMBL67993 | N-(4-{2-[(S)-3-(6-Amino-pyridin-3-yl...)
Show SMILES Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccccc3)cc2)cn1
Show InChI InChI=1S/C22H26N4O4S/c23-22-11-10-20(15-25-22)30-16-19(27)14-24-13-12-17-6-8-18(9-7-17)26-31(28,29)21-4-2-1-3-5-21/h1-11,15,19,24,26-27H,12-14,16H2,(H2,23,25)/t19-/m0/s1
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n/an/a 630n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50071280
PNG
(CHEMBL68408 | N-(4-{2-[(S)-3-(6-Amino-pyridin-3-yl...)
Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(N)nc2)cc1
Show InChI InChI=1S/C29H40N6O5S/c1-2-3-4-5-17-32-29(37)34-23-10-13-27(14-11-23)41(38,39)35-24-8-6-22(7-9-24)16-18-31-19-25(36)21-40-26-12-15-28(30)33-20-26/h6-15,20,25,31,35-36H,2-5,16-19,21H2,1H3,(H2,30,33)(H2,32,34,37)/t25-/m0/s1
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n/an/a 640n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50071277
PNG
(CHEMBL67251 | N-(4-{2-[(S)-2-Hydroxy-3-(pyridin-3-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccccc2)cc1)COc1cccnc1
Show InChI InChI=1S/C22H25N3O4S/c26-20(17-29-21-5-4-13-23-16-21)15-24-14-12-18-8-10-19(11-9-18)25-30(27,28)22-6-2-1-3-7-22/h1-11,13,16,20,24-26H,12,14-15,17H2/t20-/m0/s1
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n/an/a 750n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50071292
PNG
(CHEMBL67886 | N-(4-{2-[(S)-2-Hydroxy-3-(4-methoxy-...)
Show SMILES COc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(I)cc3)cc2)cc1
Show InChI InChI=1S/C24H27IN2O5S/c1-31-22-8-10-23(11-9-22)32-17-21(28)16-26-15-14-18-2-6-20(7-3-18)27-33(29,30)24-12-4-19(25)5-13-24/h2-13,21,26-28H,14-17H2,1H3/t21-/m0/s1
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n/an/a 860n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity and the binding affinity against human Beta-1 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50071280
PNG
(CHEMBL68408 | N-(4-{2-[(S)-3-(6-Amino-pyridin-3-yl...)
Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(N)nc2)cc1
Show InChI InChI=1S/C29H40N6O5S/c1-2-3-4-5-17-32-29(37)34-23-10-13-27(14-11-23)41(38,39)35-24-8-6-22(7-9-24)16-18-31-19-25(36)21-40-26-12-15-28(30)33-20-26/h6-15,20,25,31,35-36H,2-5,16-19,21H2,1H3,(H2,30,33)(H2,32,34,37)/t25-/m0/s1
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n/an/a 900n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity and the binding affinity against human Beta-1 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50071299
PNG
(4-Fluoro-N-(4-{2-[(S)-2-hydroxy-3-(pyridin-3-yloxy...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)COc1cccnc1
Show InChI InChI=1S/C22H24FN3O4S/c23-18-5-9-22(10-6-18)31(28,29)26-19-7-3-17(4-8-19)11-13-25-14-20(27)16-30-21-2-1-12-24-15-21/h1-10,12,15,20,25-27H,11,13-14,16H2/t20-/m0/s1
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n/an/a 900n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50071278
PNG
(CHEMBL304878 | N-(4-{2-[(S)-3-(4-Fluoro-phenoxy)-2...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1)COc1ccc(F)cc1
Show InChI InChI=1S/C23H24FIN2O4S/c24-18-3-9-22(10-4-18)31-16-21(28)15-26-14-13-17-1-7-20(8-2-17)27-32(29,30)23-11-5-19(25)6-12-23/h1-12,21,26-28H,13-16H2/t21-/m0/s1
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n/an/a 910n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity and the binding affinity against human Beta-1 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50071281
PNG
(CHEMBL67534 | N-(4-{2-[(S)-3-(6-Amino-pyridin-3-yl...)
Show SMILES Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cn1
Show InChI InChI=1S/C22H25ClN4O4S/c23-17-3-8-21(9-4-17)32(29,30)27-18-5-1-16(2-6-18)11-12-25-13-19(28)15-31-20-7-10-22(24)26-14-20/h1-10,14,19,25,27-28H,11-13,15H2,(H2,24,26)/t19-/m0/s1
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n/an/a 990n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50071294
PNG
(CHEMBL294042 | L-74372 | N-(4-{2-[(S)-2-Hydroxy-3-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1)COc1cccnc1
Show InChI InChI=1S/C22H24IN3O4S/c23-18-5-9-22(10-6-18)31(28,29)26-19-7-3-17(4-8-19)11-13-25-14-20(27)16-30-21-2-1-12-24-15-21/h1-10,12,15,20,25-27H,11,13-14,16H2/t20-/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
Evaluated for its agonist activity and the binding affinity against human Beta-1 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50071299
PNG
(4-Fluoro-N-(4-{2-[(S)-2-hydroxy-3-(pyridin-3-yloxy...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)COc1cccnc1
Show InChI InChI=1S/C22H24FN3O4S/c23-18-5-9-22(10-6-18)31(28,29)26-19-7-3-17(4-8-19)11-13-25-14-20(27)16-30-21-2-1-12-24-15-21/h1-10,12,15,20,25-27H,11,13-14,16H2/t20-/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
Evaluated for its agonist activity and the binding affinity against human Beta-1 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50071283
PNG
(CHEMBL67672 | N-(4-{2-[(S)-3-(6-Amino-pyridin-3-yl...)
Show SMILES Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cn1
Show InChI InChI=1S/C22H25FN4O4S/c23-17-3-8-21(9-4-17)32(29,30)27-18-5-1-16(2-6-18)11-12-25-13-19(28)15-31-20-7-10-22(24)26-14-20/h1-10,14,19,25,27-28H,11-13,15H2,(H2,24,26)/t19-/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
Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50071284
PNG
(4-Chloro-N-(4-{2-[(S)-2-hydroxy-3-(pyridin-3-yloxy...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1)COc1cccnc1
Show InChI InChI=1S/C22H24ClN3O4S/c23-18-5-9-22(10-6-18)31(28,29)26-19-7-3-17(4-8-19)11-13-25-14-20(27)16-30-21-2-1-12-24-15-21/h1-10,12,15,20,25-27H,11,13-14,16H2/t20-/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
Evaluated for its agonist activity and the binding affinity against human Beta-1 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50071298
PNG
(CHEMBL292947 | N-(4-{2-[(S)-2-Hydroxy-3-(pyridin-3...)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1
Show InChI InChI=1S/C25H31N3O4S/c1-19(2)21-7-11-25(12-8-21)33(30,31)28-22-9-5-20(6-10-22)13-15-27-16-23(29)18-32-24-4-3-14-26-17-24/h3-12,14,17,19,23,27-29H,13,15-16,18H2,1-2H3/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
Evaluated for its agonist activity and the binding affinity against human Beta-1 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50071295
PNG
(CHEMBL66964 | N-(4-{2-[(S)-2-Hydroxy-3-(pyridin-3-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1
Show InChI InChI=1S/C23H27N3O5S/c1-30-21-8-10-23(11-9-21)32(28,29)26-19-6-4-18(5-7-19)12-14-25-15-20(27)17-31-22-3-2-13-24-16-22/h2-11,13,16,20,25-27H,12,14-15,17H2,1H3/t20-/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
Evaluated for its agonist activity and the binding affinity against human Beta-1 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50071296
PNG
(CHEMBL64201 | N-(4-{2-[(S)-3-(6-Amino-pyridin-3-yl...)
Show SMILES Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(I)cc3)cc2)cn1
Show InChI InChI=1S/C22H25IN4O4S/c23-17-3-8-21(9-4-17)32(29,30)27-18-5-1-16(2-6-18)11-12-25-13-19(28)15-31-20-7-10-22(24)26-14-20/h1-10,14,19,25,27-28H,11-13,15H2,(H2,24,26)/t19-/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
Evaluated for its agonist activity and the binding affinity against human Beta-1 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50071297
PNG
(CHEMBL68334 | Quinoline-3-sulfonic acid (4-{2-[(S)...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2cnc3ccccc3c2)cc1)COc1cccnc1
Show InChI InChI=1S/C25H26N4O4S/c30-22(18-33-23-5-3-12-26-16-23)15-27-13-11-19-7-9-21(10-8-19)29-34(31,32)24-14-20-4-1-2-6-25(20)28-17-24/h1-10,12,14,16-17,22,27,29-30H,11,13,15,18H2/t22-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity and the binding affinity against human Beta-1 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50071289
PNG
(CHEMBL67461 | Quinoline-3-sulfonic acid (4-{2-[(S)...)
Show SMILES Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3cnc4ccccc4c3)cc2)cn1
Show InChI InChI=1S/C25H27N5O4S/c26-25-10-9-22(15-29-25)34-17-21(31)14-27-12-11-18-5-7-20(8-6-18)30-35(32,33)23-13-19-3-1-2-4-24(19)28-16-23/h1-10,13,15-16,21,27,30-31H,11-12,14,17H2,(H2,26,29)/t21-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50071277
PNG
(CHEMBL67251 | N-(4-{2-[(S)-2-Hydroxy-3-(pyridin-3-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccccc2)cc1)COc1cccnc1
Show InChI InChI=1S/C22H25N3O4S/c26-20(17-29-21-5-4-13-23-16-21)15-24-14-12-18-8-10-19(11-9-18)25-30(27,28)22-6-2-1-3-7-22/h1-11,13,16,20,24-26H,12,14-15,17H2/t20-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity and the binding affinity against human Beta-1 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50071282
PNG
(CHEMBL64760 | N-(4-{2-[(S)-3-(6-Amino-pyridin-3-yl...)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(N)nc2)cc1
Show InChI InChI=1S/C25H32N4O4S/c1-18(2)20-5-10-24(11-6-20)34(31,32)29-21-7-3-19(4-8-21)13-14-27-15-22(30)17-33-23-9-12-25(26)28-16-23/h3-12,16,18,22,27,29-30H,13-15,17H2,1-2H3,(H2,26,28)/t22-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity and the binding affinity against human Beta-1 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50071281
PNG
(CHEMBL67534 | N-(4-{2-[(S)-3-(6-Amino-pyridin-3-yl...)
Show SMILES Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cn1
Show InChI InChI=1S/C22H25ClN4O4S/c23-17-3-8-21(9-4-17)32(29,30)27-18-5-1-16(2-6-18)11-12-25-13-19(28)15-31-20-7-10-22(24)26-14-20/h1-10,14,19,25,27-28H,11-13,15H2,(H2,24,26)/t19-/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
Evaluated for its agonist activity and the binding affinity against human Beta-1 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50071285
PNG
(4-Bromo-N-(4-{2-[(S)-2-hydroxy-3-(pyridin-3-yloxy)...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)COc1cccnc1
Show InChI InChI=1S/C22H24BrN3O4S/c23-18-5-9-22(10-6-18)31(28,29)26-19-7-3-17(4-8-19)11-13-25-14-20(27)16-30-21-2-1-12-24-15-21/h1-10,12,15,20,25-27H,11,13-14,16H2/t20-/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
Evaluated for its agonist activity and the binding affinity against human Beta-1 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50071283
PNG
(CHEMBL67672 | N-(4-{2-[(S)-3-(6-Amino-pyridin-3-yl...)
Show SMILES Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cn1
Show InChI InChI=1S/C22H25FN4O4S/c23-17-3-8-21(9-4-17)32(29,30)27-18-5-1-16(2-6-18)11-12-25-13-19(28)15-31-20-7-10-22(24)26-14-20/h1-10,14,19,25,27-28H,11-13,15H2,(H2,24,26)/t19-/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
Evaluated for its agonist activity and the binding affinity against human Beta-1 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50071287
PNG
(CHEMBL63842 | N-(4-{2-[(S)-3-(6-Amino-pyridin-3-yl...)
Show SMILES Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)cn1
Show InChI InChI=1S/C22H25BrN4O4S/c23-17-3-8-21(9-4-17)32(29,30)27-18-5-1-16(2-6-18)11-12-25-13-19(28)15-31-20-7-10-22(24)26-14-20/h1-10,14,19,25,27-28H,11-13,15H2,(H2,24,26)/t19-/m0/s1
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n/an/a 5.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity and the binding affinity against human Beta-1 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50071288
PNG
(CHEMBL67416 | N-(4-{2-[(S)-3-(6-Amino-pyridin-3-yl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(N)nc2)cc1
Show InChI InChI=1S/C23H28N4O5S/c1-31-20-6-9-22(10-7-20)33(29,30)27-18-4-2-17(3-5-18)12-13-25-14-19(28)16-32-21-8-11-23(24)26-15-21/h2-11,15,19,25,27-28H,12-14,16H2,1H3,(H2,24,26)/t19-/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
Evaluated for its agonist activity and the binding affinity against human Beta-1 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50071289
PNG
(CHEMBL67461 | Quinoline-3-sulfonic acid (4-{2-[(S)...)
Show SMILES Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3cnc4ccccc4c3)cc2)cn1
Show InChI InChI=1S/C25H27N5O4S/c26-25-10-9-22(15-29-25)34-17-21(31)14-27-12-11-18-5-7-20(8-6-18)30-35(32,33)23-13-19-3-1-2-4-24(19)28-16-23/h1-10,13,15-16,21,27,30-31H,11-12,14,17H2,(H2,26,29)/t21-/m0/s1
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n/an/a 6.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity and the binding affinity against human Beta-1 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50071286
PNG
(CHEMBL67993 | N-(4-{2-[(S)-3-(6-Amino-pyridin-3-yl...)
Show SMILES Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccccc3)cc2)cn1
Show InChI InChI=1S/C22H26N4O4S/c23-22-11-10-20(15-25-22)30-16-19(27)14-24-13-12-17-6-8-18(9-7-17)26-31(28,29)21-4-2-1-3-5-21/h1-11,15,19,24,26-27H,12-14,16H2,(H2,23,25)/t19-/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
Evaluated for its agonist activity and the binding affinity against human Beta-1 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50071287
PNG
(CHEMBL63842 | N-(4-{2-[(S)-3-(6-Amino-pyridin-3-yl...)
Show SMILES Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)cn1
Show InChI InChI=1S/C22H25BrN4O4S/c23-17-3-8-21(9-4-17)32(29,30)27-18-5-1-16(2-6-18)11-12-25-13-19(28)15-31-20-7-10-22(24)26-14-20/h1-10,14,19,25,27-28H,11-13,15H2,(H2,24,26)/t19-/m0/s1
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n/an/an/an/a 13n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity against human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50071291
PNG
(CHEMBL442172 | N-{4-[2-((S)-2-Hydroxy-3-phenoxy-pr...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1)COc1ccccc1
Show InChI InChI=1S/C23H25IN2O4S/c24-19-8-12-23(13-9-19)31(28,29)26-20-10-6-18(7-11-20)14-15-25-16-21(27)17-30-22-4-2-1-3-5-22/h1-13,21,25-27H,14-17H2/t21-/m0/s1
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n/an/an/an/a 120n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity against human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50071299
PNG
(4-Fluoro-N-(4-{2-[(S)-2-hydroxy-3-(pyridin-3-yloxy...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)COc1cccnc1
Show InChI InChI=1S/C22H24FN3O4S/c23-18-5-9-22(10-6-18)31(28,29)26-19-7-3-17(4-8-19)11-13-25-14-20(27)16-30-21-2-1-12-24-15-21/h1-10,12,15,20,25-27H,11,13-14,16H2/t20-/m0/s1
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n/an/an/an/a 18n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for Adenylyl cyclase activation as % of the maximal stimulation with isoproterenol at 100 nM

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50071298
PNG
(CHEMBL292947 | N-(4-{2-[(S)-2-Hydroxy-3-(pyridin-3...)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1
Show InChI InChI=1S/C25H31N3O4S/c1-19(2)21-7-11-25(12-8-21)33(30,31)28-22-9-5-20(6-10-22)13-15-27-16-23(29)18-32-24-4-3-14-26-17-24/h3-12,14,17,19,23,27-29H,13,15-16,18H2,1-2H3/t23-/m0/s1
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n/an/an/an/a 85n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity against human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50071283
PNG
(CHEMBL67672 | N-(4-{2-[(S)-3-(6-Amino-pyridin-3-yl...)
Show SMILES Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cn1
Show InChI InChI=1S/C22H25FN4O4S/c23-17-3-8-21(9-4-17)32(29,30)27-18-5-1-16(2-6-18)11-12-25-13-19(28)15-31-20-7-10-22(24)26-14-20/h1-10,14,19,25,27-28H,11-13,15H2,(H2,24,26)/t19-/m0/s1
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n/an/an/an/a 26n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for Adenylyl cyclase activation as % of the maximal stimulation with isoproterenol at 100 nM

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50071276
PNG
(CHEMBL66859 | N-(4-{2-[(S)-3-(6-Amino-pyridin-3-yl...)
Show SMILES Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)cn1
Show InChI InChI=1S/C22H24Cl2N4O4S/c23-20-7-6-19(11-21(20)24)33(30,31)28-16-3-1-15(2-4-16)9-10-26-12-17(29)14-32-18-5-8-22(25)27-13-18/h1-8,11,13,17,26,28-29H,9-10,12,14H2,(H2,25,27)/t17-/m0/s1
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n/an/an/an/a 43n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity against human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50071278
PNG
(CHEMBL304878 | N-(4-{2-[(S)-3-(4-Fluoro-phenoxy)-2...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1)COc1ccc(F)cc1
Show InChI InChI=1S/C23H24FIN2O4S/c24-18-3-9-22(10-4-18)31-16-21(28)15-26-14-13-17-1-7-20(8-2-17)27-32(29,30)23-11-5-19(25)6-12-23/h1-12,21,26-28H,13-16H2/t21-/m0/s1
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n/an/an/an/a 18n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity against human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
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
Evaluated for its agonist activity against human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50070128
PNG
(CHEMBL12769 | Quinoline-3-sulfonic acid (4-{2-[(S)...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2cnc3ccccc3c2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C26H27N3O5S/c30-22-9-11-24(12-10-22)34-18-23(31)16-27-14-13-19-5-7-21(8-6-19)29-35(32,33)25-15-20-3-1-2-4-26(20)28-17-25/h1-12,15,17,23,27,29-31H,13-14,16,18H2/t23-/m0/s1
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n/an/an/an/a 1.30n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity against human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50071295
PNG
(CHEMBL66964 | N-(4-{2-[(S)-2-Hydroxy-3-(pyridin-3-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1
Show InChI InChI=1S/C23H27N3O5S/c1-30-21-8-10-23(11-9-21)32(28,29)26-19-6-4-18(5-7-19)12-14-25-15-20(27)17-31-22-3-2-13-24-16-22/h2-11,13,16,20,25-27H,12,14-15,17H2,1H3/t20-/m0/s1
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n/an/an/an/a 7n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity against human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50071290
PNG
(CHEMBL304090 | N-(4-{2-[(S)-3-(6-Amino-pyridin-3-y...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(N)nc2)cc1
Show InChI InChI=1S/C24H30N4O4S/c1-2-18-5-10-23(11-6-18)33(30,31)28-20-7-3-19(4-8-20)13-14-26-15-21(29)17-32-22-9-12-24(25)27-16-22/h3-12,16,21,26,28-29H,2,13-15,17H2,1H3,(H2,25,27)/t21-/m0/s1
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n/an/an/an/a 26n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for Adenylyl cyclase activation as % of the maximal stimulation with isoproterenol at 100 nM

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50071292
PNG
(CHEMBL67886 | N-(4-{2-[(S)-2-Hydroxy-3-(4-methoxy-...)
Show SMILES COc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(I)cc3)cc2)cc1
Show InChI InChI=1S/C24H27IN2O5S/c1-31-22-8-10-23(11-9-22)32-17-21(28)16-26-15-14-18-2-6-20(7-3-18)27-33(29,30)24-12-4-19(25)5-13-24/h2-13,21,26-28H,14-17H2,1H3/t21-/m0/s1
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n/an/an/an/a 5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for Adenylyl cyclase activation as % of the maximal stimulation with isoproterenol at 100 nM

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50070152
PNG
(CHEMBL276257 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C23H25IN2O5S/c24-18-3-11-23(12-4-18)32(29,30)26-19-5-1-17(2-6-19)13-14-25-15-21(28)16-31-22-9-7-20(27)8-10-22/h1-12,21,25-28H,13-16H2/t21-/m0/s1
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n/an/an/an/a 1.60n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity against human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50071286
PNG
(CHEMBL67993 | N-(4-{2-[(S)-3-(6-Amino-pyridin-3-yl...)
Show SMILES Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccccc3)cc2)cn1
Show InChI InChI=1S/C22H26N4O4S/c23-22-11-10-20(15-25-22)30-16-19(27)14-24-13-12-17-6-8-18(9-7-17)26-31(28,29)21-4-2-1-3-5-21/h1-11,15,19,24,26-27H,12-14,16H2,(H2,23,25)/t19-/m0/s1
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n/an/an/an/a 400n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity against human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50071285
PNG
(4-Bromo-N-(4-{2-[(S)-2-hydroxy-3-(pyridin-3-yloxy)...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)COc1cccnc1
Show InChI InChI=1S/C22H24BrN3O4S/c23-18-5-9-22(10-6-18)31(28,29)26-19-7-3-17(4-8-19)11-13-25-14-20(27)16-30-21-2-1-12-24-15-21/h1-10,12,15,20,25-27H,11,13-14,16H2/t20-/m0/s1
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n/an/an/an/a 22n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity against human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50071296
PNG
(CHEMBL64201 | N-(4-{2-[(S)-3-(6-Amino-pyridin-3-yl...)
Show SMILES Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(I)cc3)cc2)cn1
Show InChI InChI=1S/C22H25IN4O4S/c23-17-3-8-21(9-4-17)32(29,30)27-18-5-1-16(2-6-18)11-12-25-13-19(28)15-31-20-7-10-22(24)26-14-20/h1-10,14,19,25,27-28H,11-13,15H2,(H2,24,26)/t19-/m0/s1
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n/an/an/an/a 7.80n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity against human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50071293
PNG
(4-(3-Hexyl-ureido)-N-(4-{2-[(S)-2-hydroxy-3-(pyrid...)
Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1
Show InChI InChI=1S/C29H39N5O5S/c1-2-3-4-5-18-32-29(36)33-24-12-14-28(15-13-24)40(37,38)34-25-10-8-23(9-11-25)16-19-31-20-26(35)22-39-27-7-6-17-30-21-27/h6-15,17,21,26,31,34-35H,2-5,16,18-20,22H2,1H3,(H2,32,33,36)/t26-/m0/s1
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n/an/an/an/a 3.80n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity against human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50071297
PNG
(CHEMBL68334 | Quinoline-3-sulfonic acid (4-{2-[(S)...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2cnc3ccccc3c2)cc1)COc1cccnc1
Show InChI InChI=1S/C25H26N4O4S/c30-22(18-33-23-5-3-12-26-16-23)15-27-13-11-19-7-9-21(10-8-19)29-34(31,32)24-14-20-4-1-2-6-25(20)28-17-24/h1-10,12,14,16-17,22,27,29-30H,11,13,15,18H2/t22-/m0/s1
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n/an/an/an/a 32n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity against human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50071279
PNG
(3,4-Dichloro-N-(4-{2-[(S)-2-hydroxy-3-(pyridin-3-y...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)COc1cccnc1
Show InChI InChI=1S/C22H23Cl2N3O4S/c23-21-8-7-20(12-22(21)24)32(29,30)27-17-5-3-16(4-6-17)9-11-26-13-18(28)15-31-19-2-1-10-25-14-19/h1-8,10,12,14,18,26-28H,9,11,13,15H2/t18-/m0/s1
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n/an/an/an/a 24n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for Adenylyl cyclase activation as % of the maximal stimulation with isoproterenol at 100 nM

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50071288
PNG
(CHEMBL67416 | N-(4-{2-[(S)-3-(6-Amino-pyridin-3-yl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(N)nc2)cc1
Show InChI InChI=1S/C23H28N4O5S/c1-31-20-6-9-22(10-7-20)33(29,30)27-18-4-2-17(3-5-18)12-13-25-14-19(28)16-32-21-8-11-23(24)26-15-21/h2-11,15,19,25,27-28H,12-14,16H2,1H3,(H2,24,26)/t19-/m0/s1
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n/an/an/an/a 22n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity against human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50071281
PNG
(CHEMBL67534 | N-(4-{2-[(S)-3-(6-Amino-pyridin-3-yl...)
Show SMILES Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cn1
Show InChI InChI=1S/C22H25ClN4O4S/c23-17-3-8-21(9-4-17)32(29,30)27-18-5-1-16(2-6-18)11-12-25-13-19(28)15-31-20-7-10-22(24)26-14-20/h1-10,14,19,25,27-28H,11-13,15H2,(H2,24,26)/t19-/m0/s1
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n/an/an/an/a 30n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for Adenylyl cyclase activation as % of the maximal stimulation with isoproterenol at 100 nM

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50071282
PNG
(CHEMBL64760 | N-(4-{2-[(S)-3-(6-Amino-pyridin-3-yl...)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(N)nc2)cc1
Show InChI InChI=1S/C25H32N4O4S/c1-18(2)20-5-10-24(11-6-20)34(31,32)29-21-7-3-19(4-8-21)13-14-27-15-22(30)17-33-23-9-12-25(26)28-16-23/h3-12,16,18,22,27,29-30H,13-15,17H2,1-2H3,(H2,26,28)/t22-/m0/s1
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n/an/an/an/a 13n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity against human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50071277
PNG
(CHEMBL67251 | N-(4-{2-[(S)-2-Hydroxy-3-(pyridin-3-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccccc2)cc1)COc1cccnc1
Show InChI InChI=1S/C22H25N3O4S/c26-20(17-29-21-5-4-13-23-16-21)15-24-14-12-18-8-10-19(11-9-18)25-30(27,28)22-6-2-1-3-7-22/h1-11,13,16,20,24-26H,12,14-15,17H2/t20-/m0/s1
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n/an/an/an/a 32n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity against human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50071284
PNG
(4-Chloro-N-(4-{2-[(S)-2-hydroxy-3-(pyridin-3-yloxy...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1)COc1cccnc1
Show InChI InChI=1S/C22H24ClN3O4S/c23-18-5-9-22(10-6-18)31(28,29)26-19-7-3-17(4-8-19)11-13-25-14-20(27)16-30-21-2-1-12-24-15-21/h1-10,12,15,20,25-27H,11,13-14,16H2/t20-/m0/s1
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n/an/an/an/a 73n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity against human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50071300
PNG
(4-Ethyl-N-(4-{2-[(S)-2-hydroxy-3-(pyridin-3-yloxy)...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1
Show InChI InChI=1S/C24H29N3O4S/c1-2-19-7-11-24(12-8-19)32(29,30)27-21-9-5-20(6-10-21)13-15-26-16-22(28)18-31-23-4-3-14-25-17-23/h3-12,14,17,22,26-28H,2,13,15-16,18H2,1H3/t22-/m0/s1
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n/an/an/an/a 23n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for Adenylyl cyclase activation as % of the maximal stimulation with isoproterenol at 100 nM

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50071280
PNG
(CHEMBL68408 | N-(4-{2-[(S)-3-(6-Amino-pyridin-3-yl...)
Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(N)nc2)cc1
Show InChI InChI=1S/C29H40N6O5S/c1-2-3-4-5-17-32-29(37)34-23-10-13-27(14-11-23)41(38,39)35-24-8-6-22(7-9-24)16-18-31-19-25(36)21-40-26-12-15-28(30)33-20-26/h6-15,20,25,31,35-36H,2-5,16-19,21H2,1H3,(H2,30,33)(H2,32,34,37)/t25-/m0/s1
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n/an/an/an/a 6n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity against human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50071289
PNG
(CHEMBL67461 | Quinoline-3-sulfonic acid (4-{2-[(S)...)
Show SMILES Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3cnc4ccccc4c3)cc2)cn1
Show InChI InChI=1S/C25H27N5O4S/c26-25-10-9-22(15-29-25)34-17-21(31)14-27-12-11-18-5-7-20(8-6-18)30-35(32,33)23-13-19-3-1-2-4-24(19)28-16-23/h1-10,13,15-16,21,27,30-31H,11-12,14,17H2,(H2,26,29)/t21-/m0/s1
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n/an/an/an/a 43n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity against human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50071294
PNG
(CHEMBL294042 | L-74372 | N-(4-{2-[(S)-2-Hydroxy-3-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1)COc1cccnc1
Show InChI InChI=1S/C22H24IN3O4S/c23-18-5-9-22(10-6-18)31(28,29)26-19-7-3-17(4-8-19)11-13-25-14-20(27)16-30-21-2-1-12-24-15-21/h1-10,12,15,20,25-27H,11,13-14,16H2/t20-/m0/s1
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n/an/an/an/a 3.60n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity against human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%