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PubMed code 11720857

Compile data set for download or QSAR
Found 37 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50106972
PNG
(4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propy...)
Show SMILES O[C@@H](CNCCc1ccc(NC2CCN(CC2)C(=O)NCc2ccc(F)cc2F)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C30H36F2N4O4/c31-23-4-3-22(29(32)17-23)18-34-30(39)36-15-12-25(13-16-36)35-24-5-1-21(2-6-24)11-14-33-19-27(38)20-40-28-9-7-26(37)8-10-28/h1-10,17,25,27,33,35,37-38H,11-16,18-20H2,(H,34,39)/t27-/m0/s1
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n/an/an/an/a 30n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity assessed by measurement of cAMP accumulation level in CHO cells expressing human beta3-AR receptor

Bioorg Med Chem Lett 11: 3123-7 (2001)


BindingDB Entry DOI: 10.7270/Q26D5S92
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50106973
PNG
(4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propy...)
Show SMILES O[C@@H](CNCCc1ccc(NC2CCN(CC2)C(=O)NC2CCCCC2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C29H42N4O4/c34-26-10-12-28(13-11-26)37-21-27(35)20-30-17-14-22-6-8-24(9-7-22)31-25-15-18-33(19-16-25)29(36)32-23-4-2-1-3-5-23/h6-13,23,25,27,30-31,34-35H,1-5,14-21H2,(H,32,36)/t27-/m0/s1
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n/an/an/an/a 77n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against cAMP accumulation level in CHO cells expressing human beta-AR receptor

Bioorg Med Chem Lett 11: 3123-7 (2001)


BindingDB Entry DOI: 10.7270/Q26D5S92
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50106978
PNG
(4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propy...)
Show SMILES O[C@@H](CNCCc1ccc(NC2CCN(CC2)C(=O)NCc2ccc(Cl)cc2Cl)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C30H36Cl2N4O4/c31-23-4-3-22(29(32)17-23)18-34-30(39)36-15-12-25(13-16-36)35-24-5-1-21(2-6-24)11-14-33-19-27(38)20-40-28-9-7-26(37)8-10-28/h1-10,17,25,27,33,35,37-38H,11-16,18-20H2,(H,34,39)/t27-/m0/s1
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n/an/an/an/a 250n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity assessed by measurement of cAMP accumulation level in CHO cells expressing human beta3-AR receptor

Bioorg Med Chem Lett 11: 3123-7 (2001)


BindingDB Entry DOI: 10.7270/Q26D5S92
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50106987
PNG
(4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propy...)
Show SMILES O[C@@H](CNCCc1ccc(NC2CCN(CC2)C(=O)NCc2ccccc2F)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C30H37FN4O4/c31-29-4-2-1-3-23(29)19-33-30(38)35-17-14-25(15-18-35)34-24-7-5-22(6-8-24)13-16-32-20-27(37)21-39-28-11-9-26(36)10-12-28/h1-12,25,27,32,34,36-37H,13-21H2,(H,33,38)/t27-/m0/s1
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n/an/an/an/a 260n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity assessed by measurement of cAMP accumulation level in CHO cells expressing human beta1-AR receptor

Bioorg Med Chem Lett 11: 3123-7 (2001)


BindingDB Entry DOI: 10.7270/Q26D5S92
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50106982
PNG
(4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propy...)
Show SMILES CC(C)NC(=O)N1CCC(CC1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C26H38N4O4/c1-19(2)28-26(33)30-15-12-22(13-16-30)29-21-5-3-20(4-6-21)11-14-27-17-24(32)18-34-25-9-7-23(31)8-10-25/h3-10,19,22,24,27,29,31-32H,11-18H2,1-2H3,(H,28,33)/t24-/m0/s1
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n/an/an/an/a 90n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity assessed by measurement of cAMP accumulation level in CHO cells expressing human beta3-AR receptor

Bioorg Med Chem Lett 11: 3123-7 (2001)


BindingDB Entry DOI: 10.7270/Q26D5S92
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50106976
PNG
(4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propy...)
Show SMILES O[C@@H](CNCCc1ccc(NC2CCN(CC2)C(=O)NCc2ccc(F)cc2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C30H37FN4O4/c31-24-5-1-23(2-6-24)19-33-30(38)35-17-14-26(15-18-35)34-25-7-3-22(4-8-25)13-16-32-20-28(37)21-39-29-11-9-27(36)10-12-29/h1-12,26,28,32,34,36-37H,13-21H2,(H,33,38)/t28-/m0/s1
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n/an/an/an/a 41n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity assessed by measurement of cAMP accumulation level in CHO cells expressing human beta3-AR receptor

Bioorg Med Chem Lett 11: 3123-7 (2001)


BindingDB Entry DOI: 10.7270/Q26D5S92
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50106984
PNG
(4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propy...)
Show SMILES NC(=O)N1CCC(CC1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C23H32N4O4/c24-23(30)27-13-10-19(11-14-27)26-18-3-1-17(2-4-18)9-12-25-15-21(29)16-31-22-7-5-20(28)6-8-22/h1-8,19,21,25-26,28-29H,9-16H2,(H2,24,30)/t21-/m0/s1
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n/an/an/an/a 30n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity assessed by measurement of cAMP accumulation level in CHO cells expressing human beta3-AR receptor

Bioorg Med Chem Lett 11: 3123-7 (2001)


BindingDB Entry DOI: 10.7270/Q26D5S92
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50106986
PNG
(4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propy...)
Show SMILES O[C@@H](CNCCc1ccc(NC2CCN(CC2)C(=O)NCc2c(F)cccc2F)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C30H36F2N4O4/c31-28-2-1-3-29(32)27(28)19-34-30(39)36-16-13-23(14-17-36)35-22-6-4-21(5-7-22)12-15-33-18-25(38)20-40-26-10-8-24(37)9-11-26/h1-11,23,25,33,35,37-38H,12-20H2,(H,34,39)/t25-/m0/s1
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n/an/an/an/a 750n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity assessed by measurement of cAMP accumulation level in CHO cells expressing human beta1-AR receptor

Bioorg Med Chem Lett 11: 3123-7 (2001)


BindingDB Entry DOI: 10.7270/Q26D5S92
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50106979
PNG
(4-(4-{2-[(R)-2-Hydroxy-2-(4-hydroxy-3-methanesulfo...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNCCc1ccc(NC2CCN(CC2)C(=O)NCc2cc(F)ccc2F)cc1
Show InChI InChI=1S/C30H37F2N5O5S/c1-43(41,42)36-27-17-21(4-9-28(27)38)29(39)19-33-13-10-20-2-6-24(7-3-20)35-25-11-14-37(15-12-25)30(40)34-18-22-16-23(31)5-8-26(22)32/h2-9,16-17,25,29,33,35-36,38-39H,10-15,18-19H2,1H3,(H,34,40)/t29-/m0/s1
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n/an/an/an/a 10n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against cAMP accumulation level in CHO cells expressing human beta-AR receptor

Bioorg Med Chem Lett 11: 3123-7 (2001)


BindingDB Entry DOI: 10.7270/Q26D5S92
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50106971
PNG
(4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propy...)
Show SMILES CCN(CC)C(=O)N1CCC(CC1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C27H40N4O4/c1-3-30(4-2)27(34)31-17-14-23(15-18-31)29-22-7-5-21(6-8-22)13-16-28-19-25(33)20-35-26-11-9-24(32)10-12-26/h5-12,23,25,28-29,32-33H,3-4,13-20H2,1-2H3/t25-/m0/s1
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n/an/an/an/a 36n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity assessed by measurement of cAMP accumulation level in CHO cells expressing human beta3-AR receptor

Bioorg Med Chem Lett 11: 3123-7 (2001)


BindingDB Entry DOI: 10.7270/Q26D5S92
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50106978
PNG
(4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propy...)
Show SMILES O[C@@H](CNCCc1ccc(NC2CCN(CC2)C(=O)NCc2ccc(Cl)cc2Cl)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C30H36Cl2N4O4/c31-23-4-3-22(29(32)17-23)18-34-30(39)36-15-12-25(13-16-36)35-24-5-1-21(2-6-24)11-14-33-19-27(38)20-40-28-9-7-26(37)8-10-28/h1-10,17,25,27,33,35,37-38H,11-16,18-20H2,(H,34,39)/t27-/m0/s1
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n/an/an/an/a 254n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity assessed by measurement of cAMP accumulation level in CHO cells expressing human beta1-AR receptor

Bioorg Med Chem Lett 11: 3123-7 (2001)


BindingDB Entry DOI: 10.7270/Q26D5S92
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50106980
PNG
(4-(4-{2-[(S)-2-Hydroxy-3-(8-hydroxy-2-oxo-1,2,3,4-...)
Show SMILES CCCCCCCCNC(=O)N1CCC(CC1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)c3NC(=O)CCc23)cc1
Show InChI InChI=1S/C34H51N5O5/c1-2-3-4-5-6-7-19-36-34(43)39-21-17-27(18-22-39)37-26-10-8-25(9-11-26)16-20-35-23-28(40)24-44-31-14-13-30(41)33-29(31)12-15-32(42)38-33/h8-11,13-14,27-28,35,37,40-41H,2-7,12,15-24H2,1H3,(H,36,43)(H,38,42)/t28-/m0/s1
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n/an/an/an/a 88n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity assessed by measurement of cAMP accumulation level in CHO cells expressing human beta1-AR receptor

Bioorg Med Chem Lett 11: 3123-7 (2001)


BindingDB Entry DOI: 10.7270/Q26D5S92
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50106976
PNG
(4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propy...)
Show SMILES O[C@@H](CNCCc1ccc(NC2CCN(CC2)C(=O)NCc2ccc(F)cc2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C30H37FN4O4/c31-24-5-1-23(2-6-24)19-33-30(38)35-17-14-26(15-18-35)34-25-7-3-22(4-8-25)13-16-32-20-28(37)21-39-29-11-9-27(36)10-12-29/h1-12,26,28,32,34,36-37H,13-21H2,(H,33,38)/t28-/m0/s1
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n/an/an/an/a 109n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity assessed by measurement of cAMP accumulation level in CHO cells expressing human beta1-AR receptor

Bioorg Med Chem Lett 11: 3123-7 (2001)


BindingDB Entry DOI: 10.7270/Q26D5S92
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50106975
PNG
(4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-3-methanesulfo...)
Show SMILES CS(=O)(=O)Nc1cc(OC[C@@H](O)CNCCc2ccc(NC3CCN(CC3)C(=O)NCc3cc(F)ccc3F)cc2)ccc1O
Show InChI InChI=1S/C31H39F2N5O6S/c1-45(42,43)37-29-17-27(7-9-30(29)40)44-20-26(39)19-34-13-10-21-2-5-24(6-3-21)36-25-11-14-38(15-12-25)31(41)35-18-22-16-23(32)4-8-28(22)33/h2-9,16-17,25-26,34,36-37,39-40H,10-15,18-20H2,1H3,(H,35,41)/t26-/m0/s1
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n/an/an/an/a 1n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity assessed by measurement of cAMP accumulation level in CHO cells expressing human beta3-AR receptor

Bioorg Med Chem Lett 11: 3123-7 (2001)


BindingDB Entry DOI: 10.7270/Q26D5S92
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50106981
PNG
(4-(4-{2-[(S)-3-(6-Amino-pyridin-3-yloxy)-2-hydroxy...)
Show SMILES CCCCCCCCNC(=O)N1CCC(CC1)Nc1ccc(CCNC[C@H](O)COc2ccc(N)nc2)cc1
Show InChI InChI=1S/C30H48N6O3/c1-2-3-4-5-6-7-17-33-30(38)36-19-15-26(16-20-36)35-25-10-8-24(9-11-25)14-18-32-21-27(37)23-39-28-12-13-29(31)34-22-28/h8-13,22,26-27,32,35,37H,2-7,14-21,23H2,1H3,(H2,31,34)(H,33,38)/t27-/m0/s1
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n/an/an/an/a 290n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity assessed by measurement of cAMP accumulation level in CHO cells expressing human beta3-AR receptor

Bioorg Med Chem Lett 11: 3123-7 (2001)


BindingDB Entry DOI: 10.7270/Q26D5S92
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50106985
PNG
(4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propy...)
Show SMILES O[C@@H](CNCCc1ccc(NC2CCN(CC2)C(=O)NCc2cc(F)ccc2F)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C30H36F2N4O4/c31-23-3-10-29(32)22(17-23)18-34-30(39)36-15-12-25(13-16-36)35-24-4-1-21(2-5-24)11-14-33-19-27(38)20-40-28-8-6-26(37)7-9-28/h1-10,17,25,27,33,35,37-38H,11-16,18-20H2,(H,34,39)/t27-/m0/s1
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n/an/an/an/a 23n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity assessed by measurement of cAMP accumulation level in CHO cells expressing human beta3-AR receptor

Bioorg Med Chem Lett 11: 3123-7 (2001)


BindingDB Entry DOI: 10.7270/Q26D5S92
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50106982
PNG
(4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propy...)
Show SMILES CC(C)NC(=O)N1CCC(CC1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C26H38N4O4/c1-19(2)28-26(33)30-15-12-22(13-16-30)29-21-5-3-20(4-6-21)11-14-27-17-24(32)18-34-25-9-7-23(31)8-10-25/h3-10,19,22,24,27,29,31-32H,11-18H2,1-2H3,(H,28,33)/t24-/m0/s1
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n/an/an/an/a 943n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity assessed by measurement of cAMP accumulation level in CHO cells expressing human beta1-AR receptor

Bioorg Med Chem Lett 11: 3123-7 (2001)


BindingDB Entry DOI: 10.7270/Q26D5S92
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50106989
PNG
(4-(4-{2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethylam...)
Show SMILES CCCCCCCCNC(=O)N1CCC(CC1)Nc1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C30H45ClN4O2/c1-2-3-4-5-6-7-18-33-30(37)35-20-16-28(17-21-35)34-27-13-11-24(12-14-27)15-19-32-23-29(36)25-9-8-10-26(31)22-25/h8-14,22,28-29,32,34,36H,2-7,15-21,23H2,1H3,(H,33,37)/t29-/m0/s1
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n/an/an/an/a 1.02E+3n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity assessed by measurement of cAMP accumulation level in CHO cells expressing human beta3-AR receptor

Bioorg Med Chem Lett 11: 3123-7 (2001)


BindingDB Entry DOI: 10.7270/Q26D5S92
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50106986
PNG
(4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propy...)
Show SMILES O[C@@H](CNCCc1ccc(NC2CCN(CC2)C(=O)NCc2c(F)cccc2F)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C30H36F2N4O4/c31-28-2-1-3-29(32)27(28)19-34-30(39)36-16-13-23(14-17-36)35-22-6-4-21(5-7-22)12-15-33-18-25(38)20-40-26-10-8-24(37)9-11-26/h1-11,23,25,33,35,37-38H,12-20H2,(H,34,39)/t25-/m0/s1
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n/an/an/an/a 32n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity assessed by measurement of cAMP accumulation level in CHO cells expressing human beta3-AR receptor

Bioorg Med Chem Lett 11: 3123-7 (2001)


BindingDB Entry DOI: 10.7270/Q26D5S92
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50106987
PNG
(4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propy...)
Show SMILES O[C@@H](CNCCc1ccc(NC2CCN(CC2)C(=O)NCc2ccccc2F)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C30H37FN4O4/c31-29-4-2-1-3-23(29)19-33-30(38)35-17-14-25(15-18-35)34-24-7-5-22(6-8-24)13-16-32-20-27(37)21-39-28-11-9-26(36)10-12-28/h1-12,25,27,32,34,36-37H,13-21H2,(H,33,38)/t27-/m0/s1
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n/an/an/an/a 37n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity assessed by measurement of cAMP accumulation level in CHO cells expressing human beta3-AR receptor

Bioorg Med Chem Lett 11: 3123-7 (2001)


BindingDB Entry DOI: 10.7270/Q26D5S92
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50106988
PNG
(4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propy...)
Show SMILES O[C@@H](CNCCc1ccc(NC2CCN(CC2)C(=O)NCCCC2CCCC2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C31H46N4O4/c36-28-11-13-30(14-12-28)39-23-29(37)22-32-19-15-25-7-9-26(10-8-25)34-27-16-20-35(21-17-27)31(38)33-18-3-6-24-4-1-2-5-24/h7-14,24,27,29,32,34,36-37H,1-6,15-23H2,(H,33,38)/t29-/m0/s1
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n/an/an/an/a 187n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity assessed by measurement of cAMP accumulation level in CHO cells expressing human beta1-AR receptor

Bioorg Med Chem Lett 11: 3123-7 (2001)


BindingDB Entry DOI: 10.7270/Q26D5S92
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50106985
PNG
(4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propy...)
Show SMILES O[C@@H](CNCCc1ccc(NC2CCN(CC2)C(=O)NCc2cc(F)ccc2F)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C30H36F2N4O4/c31-23-3-10-29(32)22(17-23)18-34-30(39)36-15-12-25(13-16-36)35-24-4-1-21(2-5-24)11-14-33-19-27(38)20-40-28-8-6-26(37)7-9-28/h1-10,17,25,27,33,35,37-38H,11-16,18-20H2,(H,34,39)/t27-/m0/s1
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n/an/an/an/a 522n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity assessed by measurement of cAMP accumulation level in CHO cells expressing human beta1-AR receptor

Bioorg Med Chem Lett 11: 3123-7 (2001)


BindingDB Entry DOI: 10.7270/Q26D5S92
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50106971
PNG
(4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propy...)
Show SMILES CCN(CC)C(=O)N1CCC(CC1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C27H40N4O4/c1-3-30(4-2)27(34)31-17-14-23(15-18-31)29-22-7-5-21(6-8-22)13-16-28-19-25(33)20-35-26-11-9-24(32)10-12-26/h5-12,23,25,28-29,32-33H,3-4,13-20H2,1-2H3/t25-/m0/s1
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n/an/an/an/a 164n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity assessed by measurement of cAMP accumulation level in CHO cells expressing human beta1-AR receptor

Bioorg Med Chem Lett 11: 3123-7 (2001)


BindingDB Entry DOI: 10.7270/Q26D5S92
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50106973
PNG
(4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propy...)
Show SMILES O[C@@H](CNCCc1ccc(NC2CCN(CC2)C(=O)NC2CCCCC2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C29H42N4O4/c34-26-10-12-28(13-11-26)37-21-27(35)20-30-17-14-22-6-8-24(9-7-22)31-25-15-18-33(19-16-25)29(36)32-23-4-2-1-3-5-23/h6-13,23,25,27,30-31,34-35H,1-5,14-21H2,(H,32,36)/t27-/m0/s1
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n/an/an/an/a 85n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity assessed by measurement of cAMP accumulation level in CHO cells expressing human beta1-AR receptor

Bioorg Med Chem Lett 11: 3123-7 (2001)


BindingDB Entry DOI: 10.7270/Q26D5S92
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50106988
PNG
(4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propy...)
Show SMILES O[C@@H](CNCCc1ccc(NC2CCN(CC2)C(=O)NCCCC2CCCC2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C31H46N4O4/c36-28-11-13-30(14-12-28)39-23-29(37)22-32-19-15-25-7-9-26(10-8-25)34-27-16-20-35(21-17-27)31(38)33-18-3-6-24-4-1-2-5-24/h7-14,24,27,29,32,34,36-37H,1-6,15-23H2,(H,33,38)/t29-/m0/s1
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n/an/an/an/a 50n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity assessed by measurement of cAMP accumulation level in CHO cells expressing human beta3-AR receptor

Bioorg Med Chem Lett 11: 3123-7 (2001)


BindingDB Entry DOI: 10.7270/Q26D5S92
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50106973
PNG
(4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propy...)
Show SMILES O[C@@H](CNCCc1ccc(NC2CCN(CC2)C(=O)NC2CCCCC2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C29H42N4O4/c34-26-10-12-28(13-11-26)37-21-27(35)20-30-17-14-22-6-8-24(9-7-22)31-25-15-18-33(19-16-25)29(36)32-23-4-2-1-3-5-23/h6-13,23,25,27,30-31,34-35H,1-5,14-21H2,(H,32,36)/t27-/m0/s1
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n/an/an/an/a 80n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity assessed by measurement of cAMP accumulation level in CHO cells expressing human beta3-AR receptor

Bioorg Med Chem Lett 11: 3123-7 (2001)


BindingDB Entry DOI: 10.7270/Q26D5S92
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50106977
PNG
(4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propy...)
Show SMILES CCCCCCCCNC(=O)N1CCC(CC1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C31H48N4O4/c1-2-3-4-5-6-7-19-33-31(38)35-21-17-27(18-22-35)34-26-10-8-25(9-11-26)16-20-32-23-29(37)24-39-30-14-12-28(36)13-15-30/h8-15,27,29,32,34,36-37H,2-7,16-24H2,1H3,(H,33,38)/t29-/m0/s1
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n/an/an/an/a 610n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity of the compound assessed by measurement of cAMP accumulation level in CHO cells expressing human beta1-AR receptor

Bioorg Med Chem Lett 11: 3123-7 (2001)


BindingDB Entry DOI: 10.7270/Q26D5S92
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50106983
PNG
(4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-3-methanesulfo...)
Show SMILES CCCCCCCCNC(=O)N1CCC(CC1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)c(NS(C)(=O)=O)c2)cc1
Show InChI InChI=1S/C32H51N5O6S/c1-3-4-5-6-7-8-18-34-32(40)37-20-16-27(17-21-37)35-26-11-9-25(10-12-26)15-19-33-23-28(38)24-43-29-13-14-31(39)30(22-29)36-44(2,41)42/h9-14,22,27-28,33,35-36,38-39H,3-8,15-21,23-24H2,1-2H3,(H,34,40)/t28-/m0/s1
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n/an/an/an/a 200n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity assessed by measurement of cAMP accumulation level in CHO cells expressing human beta3-AR receptor

Bioorg Med Chem Lett 11: 3123-7 (2001)


BindingDB Entry DOI: 10.7270/Q26D5S92
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50106977
PNG
(4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propy...)
Show SMILES CCCCCCCCNC(=O)N1CCC(CC1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C31H48N4O4/c1-2-3-4-5-6-7-19-33-31(38)35-21-17-27(18-22-35)34-26-10-8-25(9-11-26)16-20-32-23-29(37)24-39-30-14-12-28(36)13-15-30/h8-15,27,29,32,34,36-37H,2-7,16-24H2,1H3,(H,33,38)/t29-/m0/s1
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n/an/an/an/a 8n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity assessed by measurement of cAMP accumulation level in CHO cells expressing human beta3-AR receptor

Bioorg Med Chem Lett 11: 3123-7 (2001)


BindingDB Entry DOI: 10.7270/Q26D5S92
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50106972
PNG
(4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propy...)
Show SMILES O[C@@H](CNCCc1ccc(NC2CCN(CC2)C(=O)NCc2ccc(F)cc2F)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C30H36F2N4O4/c31-23-4-3-22(29(32)17-23)18-34-30(39)36-15-12-25(13-16-36)35-24-5-1-21(2-6-24)11-14-33-19-27(38)20-40-28-9-7-26(37)8-10-28/h1-10,17,25,27,33,35,37-38H,11-16,18-20H2,(H,34,39)/t27-/m0/s1
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n/an/an/an/a 460n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity assessed by measurement of cAMP accumulation level in CHO cells expressing human beta1-AR receptor

Bioorg Med Chem Lett 11: 3123-7 (2001)


BindingDB Entry DOI: 10.7270/Q26D5S92
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50106975
PNG
(4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-3-methanesulfo...)
Show SMILES CS(=O)(=O)Nc1cc(OC[C@@H](O)CNCCc2ccc(NC3CCN(CC3)C(=O)NCc3cc(F)ccc3F)cc2)ccc1O
Show InChI InChI=1S/C31H39F2N5O6S/c1-45(42,43)37-29-17-27(7-9-30(29)40)44-20-26(39)19-34-13-10-21-2-5-24(6-3-21)36-25-11-14-38(15-12-25)31(41)35-18-22-16-23(32)4-8-28(22)33/h2-9,16-17,25-26,34,36-37,39-40H,10-15,18-20H2,1H3,(H,35,41)/t26-/m0/s1
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n/an/an/an/a 423n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity assessed by measurement of cAMP accumulation level in CHO cells expressing human beta1-AR receptor

Bioorg Med Chem Lett 11: 3123-7 (2001)


BindingDB Entry DOI: 10.7270/Q26D5S92
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50106984
PNG
(4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propy...)
Show SMILES NC(=O)N1CCC(CC1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C23H32N4O4/c24-23(30)27-13-10-19(11-14-27)26-18-3-1-17(2-4-18)9-12-25-15-21(29)16-31-22-7-5-20(28)6-8-22/h1-8,19,21,25-26,28-29H,9-16H2,(H2,24,30)/t21-/m0/s1
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n/an/an/an/a 511n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity assessed by measurement of cAMP accumulation level in CHO cells expressing human beta1-AR receptor

Bioorg Med Chem Lett 11: 3123-7 (2001)


BindingDB Entry DOI: 10.7270/Q26D5S92
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50106979
PNG
(4-(4-{2-[(R)-2-Hydroxy-2-(4-hydroxy-3-methanesulfo...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNCCc1ccc(NC2CCN(CC2)C(=O)NCc2cc(F)ccc2F)cc1
Show InChI InChI=1S/C30H37F2N5O5S/c1-43(41,42)36-27-17-21(4-9-28(27)38)29(39)19-33-13-10-20-2-6-24(7-3-20)35-25-11-14-37(15-12-25)30(40)34-18-22-16-23(31)5-8-26(22)32/h2-9,16-17,25,29,33,35-36,38-39H,10-15,18-19H2,1H3,(H,34,40)/t29-/m0/s1
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n/an/an/an/a 2.64E+3n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity assessed by measurement of cAMP accumulation level in CHO cells expressing human beta1-AR receptor

Bioorg Med Chem Lett 11: 3123-7 (2001)


BindingDB Entry DOI: 10.7270/Q26D5S92
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50106979
PNG
(4-(4-{2-[(R)-2-Hydroxy-2-(4-hydroxy-3-methanesulfo...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNCCc1ccc(NC2CCN(CC2)C(=O)NCc2cc(F)ccc2F)cc1
Show InChI InChI=1S/C30H37F2N5O5S/c1-43(41,42)36-27-17-21(4-9-28(27)38)29(39)19-33-13-10-20-2-6-24(7-3-20)35-25-11-14-37(15-12-25)30(40)34-18-22-16-23(31)5-8-26(22)32/h2-9,16-17,25,29,33,35-36,38-39H,10-15,18-19H2,1H3,(H,34,40)/t29-/m0/s1
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity assessed by measurement of cAMP accumulation level in CHO cells expressing human beta3-AR receptor

Bioorg Med Chem Lett 11: 3123-7 (2001)


BindingDB Entry DOI: 10.7270/Q26D5S92
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50106974
PNG
(4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propy...)
Show SMILES CNC(=O)N1CCC(CC1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C24H34N4O4/c1-25-24(31)28-14-11-20(12-15-28)27-19-4-2-18(3-5-19)10-13-26-16-22(30)17-32-23-8-6-21(29)7-9-23/h2-9,20,22,26-27,29-30H,10-17H2,1H3,(H,25,31)/t22-/m0/s1
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n/an/an/an/a 350n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity assessed by measurement of cAMP accumulation level in CHO cells expressing human beta1-AR receptor

Bioorg Med Chem Lett 11: 3123-7 (2001)


BindingDB Entry DOI: 10.7270/Q26D5S92
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50106980
PNG
(4-(4-{2-[(S)-2-Hydroxy-3-(8-hydroxy-2-oxo-1,2,3,4-...)
Show SMILES CCCCCCCCNC(=O)N1CCC(CC1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)c3NC(=O)CCc23)cc1
Show InChI InChI=1S/C34H51N5O5/c1-2-3-4-5-6-7-19-36-34(43)39-21-17-27(18-22-39)37-26-10-8-25(9-11-26)16-20-35-23-28(40)24-44-31-14-13-30(41)33-29(31)12-15-32(42)38-33/h8-11,13-14,27-28,35,37,40-41H,2-7,12,15-24H2,1H3,(H,36,43)(H,38,42)/t28-/m0/s1
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n/an/an/an/a 66n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity assessed by measurement of cAMP accumulation level in CHO cells expressing human beta3-AR receptor

Bioorg Med Chem Lett 11: 3123-7 (2001)


BindingDB Entry DOI: 10.7270/Q26D5S92
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50106974
PNG
(4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propy...)
Show SMILES CNC(=O)N1CCC(CC1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C24H34N4O4/c1-25-24(31)28-14-11-20(12-15-28)27-19-4-2-18(3-5-19)10-13-26-16-22(30)17-32-23-8-6-21(29)7-9-23/h2-9,20,22,26-27,29-30H,10-17H2,1H3,(H,25,31)/t22-/m0/s1
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n/an/an/an/a 47n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity assessed by measurement of cAMP accumulation level in CHO cells expressing human beta3-AR receptor

Bioorg Med Chem Lett 11: 3123-7 (2001)


BindingDB Entry DOI: 10.7270/Q26D5S92
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%