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PubMed code 18752946

Compile data set for download or QSAR
Found 47 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


(Canis familiaris)		BDBM50264709
PNG
((R)-5-(3-(2-(2-(3-chlorophenyl)-2-hydroxyethylamin...)
Show SMILES CC(C)(C)C(=O)Nc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(O)=O |r|
Show InChI InChI=1S/C28H31ClN2O5/c1-28(2,3)27(35)31-24-11-10-22(16-23(24)26(33)34)36-21-9-4-6-18(14-21)12-13-30-17-25(32)19-7-5-8-20(29)15-19/h4-11,14-16,25,30,32H,12-13,17H2,1-3H3,(H,31,35)(H,33,34)/t25-/m0/s1
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n/an/an/an/a 1.60n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at dog cloned adrenergic beta3 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 18: 5037-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.009
BindingDB Entry DOI: 10.7270/Q21R6QBZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50264139
PNG
(3-(3-((R)-2-((R)-2-(3-chlorophenyl)-2-hydroxyethyl...)
Show SMILES C[C@H](Cc1cccc(Oc2cccc(c2)C(O)=O)c1)NC[C@H](O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C24H24ClNO4/c1-16(26-15-23(27)18-6-3-8-20(25)13-18)11-17-5-2-9-21(12-17)30-22-10-4-7-19(14-22)24(28)29/h2-10,12-14,16,23,26-27H,11,15H2,1H3,(H,28,29)/t16-,23+/m1/s1
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n/an/an/an/a 28n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta1 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 18: 5037-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.009
BindingDB Entry DOI: 10.7270/Q21R6QBZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50264674
PNG
((R)-5-(3-(2-(2-(3-chlorophenyl)-2-hydroxyethylamin...)
Show SMILES COc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(O)=O |r|
Show InChI InChI=1S/C24H24ClNO5/c1-30-23-9-8-20(14-21(23)24(28)29)31-19-7-2-4-16(12-19)10-11-26-15-22(27)17-5-3-6-18(25)13-17/h2-9,12-14,22,26-27H,10-11,15H2,1H3,(H,28,29)/t22-/m0/s1
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n/an/an/an/a 510n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta1 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 18: 5037-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.009
BindingDB Entry DOI: 10.7270/Q21R6QBZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50264708
PNG
((R)-2-benzamido-5-(3-(2-(2-(3-chlorophenyl)-2-hydr...)
Show SMILES O[C@@H](CNCCc1cccc(Oc2ccc(NC(=O)c3ccccc3)c(c2)C(O)=O)c1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C30H27ClN2O5/c31-23-10-5-9-22(17-23)28(34)19-32-15-14-20-6-4-11-24(16-20)38-25-12-13-27(26(18-25)30(36)37)33-29(35)21-7-2-1-3-8-21/h1-13,16-18,28,32,34H,14-15,19H2,(H,33,35)(H,36,37)/t28-/m0/s1
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n/an/an/an/a 130n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta1 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 18: 5037-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.009
BindingDB Entry DOI: 10.7270/Q21R6QBZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50264587
PNG
((R)-5-(3-(2-(2-(3-chlorophenyl)-2-hydroxyethylamin...)
Show SMILES O[C@@H](CNCCc1cccc(Oc2ccc(N3CCCC3=O)c(c2)C(O)=O)c1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C27H27ClN2O5/c28-20-6-2-5-19(15-20)25(31)17-29-12-11-18-4-1-7-21(14-18)35-22-9-10-24(23(16-22)27(33)34)30-13-3-8-26(30)32/h1-2,4-7,9-10,14-16,25,29,31H,3,8,11-13,17H2,(H,33,34)/t25-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta1 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 18: 5037-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.009
BindingDB Entry DOI: 10.7270/Q21R6QBZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50264138
PNG
((R)-2-acetamido-5-(3-(2-(2-hydroxy-2-(pyridin-3-yl...)
Show SMILES CC(=O)Nc1ccc(Oc2cccc(CCNC[C@H](O)c3cccnc3)c2)cc1C(O)=O |r|
Show InChI InChI=1S/C24H25N3O5/c1-16(28)27-22-8-7-20(13-21(22)24(30)31)32-19-6-2-4-17(12-19)9-11-26-15-23(29)18-5-3-10-25-14-18/h2-8,10,12-14,23,26,29H,9,11,15H2,1H3,(H,27,28)(H,30,31)/t23-/m0/s1
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n/an/an/an/a 190n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta1 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 18: 5037-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.009
BindingDB Entry DOI: 10.7270/Q21R6QBZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM25392
PNG
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
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n/an/an/an/a 0.0840n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta1 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 18: 5037-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.009
BindingDB Entry DOI: 10.7270/Q21R6QBZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50236150
PNG
((R)-4-(4-(2-(2-(3-chlorophenyl)-2-hydroxyethylamin...)
Show SMILES O[C@@H](CNCCc1ccc(Oc2ccc(cc2)C(O)=O)cc1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C23H22ClNO4/c24-19-3-1-2-18(14-19)22(26)15-25-13-12-16-4-8-20(9-5-16)29-21-10-6-17(7-11-21)23(27)28/h1-11,14,22,25-26H,12-13,15H2,(H,27,28)/t22-/m0/s1
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n/an/an/an/a>100n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta1 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 18: 5037-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.009
BindingDB Entry DOI: 10.7270/Q21R6QBZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50264558
PNG
((R)-2-chloro-5-(3-(2-(2-(3-chlorophenyl)-2-hydroxy...)
Show SMILES O[C@@H](CNCCc1cccc(Oc2ccc(Cl)c(c2)C(O)=O)c1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C23H21Cl2NO4/c24-17-5-2-4-16(12-17)22(27)14-26-10-9-15-3-1-6-18(11-15)30-19-7-8-21(25)20(13-19)23(28)29/h1-8,11-13,22,26-27H,9-10,14H2,(H,28,29)/t22-/m0/s1
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n/an/an/an/a 64n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta1 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 18: 5037-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.009
BindingDB Entry DOI: 10.7270/Q21R6QBZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50264675
PNG
((R)-5-(3-(2-(2-(3-chlorophenyl)-2-hydroxyethylamin...)
Show SMILES CC(C)Oc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(O)=O |r|
Show InChI InChI=1S/C26H28ClNO5/c1-17(2)32-25-10-9-22(15-23(25)26(30)31)33-21-8-3-5-18(13-21)11-12-28-16-24(29)19-6-4-7-20(27)14-19/h3-10,13-15,17,24,28-29H,11-12,16H2,1-2H3,(H,30,31)/t24-/m0/s1
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n/an/an/an/a 810n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta1 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 18: 5037-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.009
BindingDB Entry DOI: 10.7270/Q21R6QBZ
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Canis familiaris)		BDBM50264587
PNG
((R)-5-(3-(2-(2-(3-chlorophenyl)-2-hydroxyethylamin...)
Show SMILES O[C@@H](CNCCc1cccc(Oc2ccc(N3CCCC3=O)c(c2)C(O)=O)c1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C27H27ClN2O5/c28-20-6-2-5-19(15-20)25(31)17-29-12-11-18-4-1-7-21(14-18)35-22-9-10-24(23(16-22)27(33)34)30-13-3-8-26(30)32/h1-2,4-7,9-10,14-16,25,29,31H,3,8,11-13,17H2,(H,33,34)/t25-/m0/s1
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n/an/an/an/a 1.90n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at dog cloned adrenergic beta3 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 18: 5037-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.009
BindingDB Entry DOI: 10.7270/Q21R6QBZ
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50236187
PNG
((R)-3-(4-(2-(2-(3-chlorophenyl)-2-hydroxyethylamin...)
Show SMILES O[C@@H](CNCCc1ccc(Oc2cccc(c2)C(O)=O)cc1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C23H22ClNO4/c24-19-5-1-3-17(13-19)22(26)15-25-12-11-16-7-9-20(10-8-16)29-21-6-2-4-18(14-21)23(27)28/h1-10,13-14,22,25-26H,11-12,15H2,(H,27,28)/t22-/m0/s1
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n/an/an/an/a 39n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 18: 5037-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.009
BindingDB Entry DOI: 10.7270/Q21R6QBZ
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50264708
PNG
((R)-2-benzamido-5-(3-(2-(2-(3-chlorophenyl)-2-hydr...)
Show SMILES O[C@@H](CNCCc1cccc(Oc2ccc(NC(=O)c3ccccc3)c(c2)C(O)=O)c1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C30H27ClN2O5/c31-23-10-5-9-22(17-23)28(34)19-32-15-14-20-6-4-11-24(16-20)38-25-12-13-27(26(18-25)30(36)37)33-29(35)21-7-2-1-3-8-21/h1-13,16-18,28,32,34H,14-15,19H2,(H,33,35)(H,36,37)/t28-/m0/s1
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n/an/an/an/a 8.60n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 18: 5037-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.009
BindingDB Entry DOI: 10.7270/Q21R6QBZ
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50264587
PNG
((R)-5-(3-(2-(2-(3-chlorophenyl)-2-hydroxyethylamin...)
Show SMILES O[C@@H](CNCCc1cccc(Oc2ccc(N3CCCC3=O)c(c2)C(O)=O)c1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C27H27ClN2O5/c28-20-6-2-5-19(15-20)25(31)17-29-12-11-18-4-1-7-21(14-18)35-22-9-10-24(23(16-22)27(33)34)30-13-3-8-26(30)32/h1-2,4-7,9-10,14-16,25,29,31H,3,8,11-13,17H2,(H,33,34)/t25-/m0/s1
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n/an/an/an/a 6.60n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 18: 5037-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.009
BindingDB Entry DOI: 10.7270/Q21R6QBZ
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50264137
PNG
((R)-5-(3-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES COc1ccc(Oc2cccc(CCNC[C@H](O)c3cccnc3)c2)cc1C(O)=O |r|
Show InChI InChI=1S/C23H24N2O5/c1-29-22-8-7-19(13-20(22)23(27)28)30-18-6-2-4-16(12-18)9-11-25-15-21(26)17-5-3-10-24-14-17/h2-8,10,12-14,21,25-26H,9,11,15H2,1H3,(H,27,28)/t21-/m0/s1
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n/an/an/an/a 56n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 18: 5037-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.009
BindingDB Entry DOI: 10.7270/Q21R6QBZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50236183
PNG
((R)-4'-(2-(2-(3-chlorophenyl)-2-hydroxyethylamino)...)
Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1 |r|
Show InChI InChI=1S/C26H28ClNO4/c1-17(2)32-25-15-20(10-11-23(25)26(30)31)19-8-6-18(7-9-19)12-13-28-16-24(29)21-4-3-5-22(27)14-21/h3-11,14-15,17,24,28-29H,12-13,16H2,1-2H3,(H,30,31)/t24-/m0/s1
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n/an/an/an/a 720n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta1 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 18: 5037-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.009
BindingDB Entry DOI: 10.7270/Q21R6QBZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50264676
PNG
((R)-2-acetamido-5-(3-(2-(2-(3-chlorophenyl)-2-hydr...)
Show SMILES CC(=O)Nc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(O)=O |r|
Show InChI InChI=1S/C25H25ClN2O5/c1-16(29)28-23-9-8-21(14-22(23)25(31)32)33-20-7-2-4-17(12-20)10-11-27-15-24(30)18-5-3-6-19(26)13-18/h2-9,12-14,24,27,30H,10-11,15H2,1H3,(H,28,29)(H,31,32)/t24-/m0/s1
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n/an/an/an/a 380n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta1 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 18: 5037-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.009
BindingDB Entry DOI: 10.7270/Q21R6QBZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50264710
PNG
((R)-3-benzamido-5-(3-(2-(2-(3-chlorophenyl)-2-hydr...)
Show SMILES O[C@@H](CNCCc1cccc(Oc2cc(NC(=O)c3ccccc3)cc(c2)C(O)=O)c1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C30H27ClN2O5/c31-24-10-5-9-22(15-24)28(34)19-32-13-12-20-6-4-11-26(14-20)38-27-17-23(30(36)37)16-25(18-27)33-29(35)21-7-2-1-3-8-21/h1-11,14-18,28,32,34H,12-13,19H2,(H,33,35)(H,36,37)/t28-/m0/s1
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n/an/an/an/a 190n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta1 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 18: 5037-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.009
BindingDB Entry DOI: 10.7270/Q21R6QBZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50264137
PNG
((R)-5-(3-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES COc1ccc(Oc2cccc(CCNC[C@H](O)c3cccnc3)c2)cc1C(O)=O |r|
Show InChI InChI=1S/C23H24N2O5/c1-29-22-8-7-19(13-20(22)23(27)28)30-18-6-2-4-16(12-18)9-11-25-15-21(26)17-5-3-10-24-14-17/h2-8,10,12-14,21,25-26H,9,11,15H2,1H3,(H,27,28)/t21-/m0/s1
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n/an/an/an/a 690n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta1 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 18: 5037-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.009
BindingDB Entry DOI: 10.7270/Q21R6QBZ
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50236183
PNG
((R)-4'-(2-(2-(3-chlorophenyl)-2-hydroxyethylamino)...)
Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1 |r|
Show InChI InChI=1S/C26H28ClNO4/c1-17(2)32-25-15-20(10-11-23(25)26(30)31)19-8-6-18(7-9-19)12-13-28-16-24(29)21-4-3-5-22(27)14-21/h3-11,14-15,17,24,28-29H,12-13,16H2,1-2H3,(H,30,31)/t24-/m0/s1
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n/an/an/an/a 1.10n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 18: 5037-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.009
BindingDB Entry DOI: 10.7270/Q21R6QBZ
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50264628
PNG
((R)-3-(3-(2-(2-(3-chlorophenyl)-2-hydroxyethylamin...)
Show SMILES O[C@@H](CNCCc1cccc(Oc2cccc(c2)C(O)=O)c1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C23H22ClNO4/c24-19-7-2-5-17(13-19)22(26)15-25-11-10-16-4-1-8-20(12-16)29-21-9-3-6-18(14-21)23(27)28/h1-9,12-14,22,25-26H,10-11,15H2,(H,27,28)/t22-/m0/s1
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n/an/an/an/a 14n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 18: 5037-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.009
BindingDB Entry DOI: 10.7270/Q21R6QBZ
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50264711
PNG
((R)-2-fluoro-5-(3-(2-(2-hydroxy-2-(pyridin-3-yl)et...)
Show SMILES O[C@@H](CNCCc1cccc(Oc2ccc(F)c(c2)C(O)=O)c1)c1cccnc1 |r|
Show InChI InChI=1S/C22H21FN2O4/c23-20-7-6-18(12-19(20)22(27)28)29-17-5-1-3-15(11-17)8-10-25-14-21(26)16-4-2-9-24-13-16/h1-7,9,11-13,21,25-26H,8,10,14H2,(H,27,28)/t21-/m0/s1
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n/an/an/an/a 31n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 18: 5037-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.009
BindingDB Entry DOI: 10.7270/Q21R6QBZ
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50264138
PNG
((R)-2-acetamido-5-(3-(2-(2-hydroxy-2-(pyridin-3-yl...)
Show SMILES CC(=O)Nc1ccc(Oc2cccc(CCNC[C@H](O)c3cccnc3)c2)cc1C(O)=O |r|
Show InChI InChI=1S/C24H25N3O5/c1-16(28)27-22-8-7-20(13-21(22)24(30)31)32-19-6-2-4-17(12-19)9-11-26-15-23(29)18-5-3-10-25-14-18/h2-8,10,12-14,23,26,29H,9,11,15H2,1H3,(H,27,28)(H,30,31)/t23-/m0/s1
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n/an/an/an/a 12n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 18: 5037-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.009
BindingDB Entry DOI: 10.7270/Q21R6QBZ
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM25392
PNG
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
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n/an/an/an/a 0.970n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 18: 5037-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.009
BindingDB Entry DOI: 10.7270/Q21R6QBZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50236150
PNG
((R)-4-(4-(2-(2-(3-chlorophenyl)-2-hydroxyethylamin...)
Show SMILES O[C@@H](CNCCc1ccc(Oc2ccc(cc2)C(O)=O)cc1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C23H22ClNO4/c24-19-3-1-2-18(14-19)22(26)15-25-13-12-16-4-8-20(9-5-16)29-21-10-6-17(7-11-21)23(27)28/h1-11,14,22,25-26H,12-13,15H2,(H,27,28)/t22-/m0/s1
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n/an/an/an/a 100n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 18: 5037-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.009
BindingDB Entry DOI: 10.7270/Q21R6QBZ
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50264627
PNG
((R)-4-(3-(2-(2-(3-chlorophenyl)-2-hydroxyethylamin...)
Show SMILES O[C@@H](CNCCc1cccc(Oc2ccc(cc2)C(O)=O)c1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C23H22ClNO4/c24-19-5-2-4-18(14-19)22(26)15-25-12-11-16-3-1-6-21(13-16)29-20-9-7-17(8-10-20)23(27)28/h1-10,13-14,22,25-26H,11-12,15H2,(H,27,28)/t22-/m0/s1
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n/an/an/an/a 60n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 18: 5037-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.009
BindingDB Entry DOI: 10.7270/Q21R6QBZ
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50264673
PNG
((R)-5-(3-(2-(2-(3-chlorophenyl)-2-hydroxyethylamin...)
Show SMILES Cc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(O)=O |r|
Show InChI InChI=1S/C24H24ClNO4/c1-16-8-9-21(14-22(16)24(28)29)30-20-7-2-4-17(12-20)10-11-26-15-23(27)18-5-3-6-19(25)13-18/h2-9,12-14,23,26-27H,10-11,15H2,1H3,(H,28,29)/t23-/m0/s1
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n/an/an/an/a 13n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 18: 5037-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.009
BindingDB Entry DOI: 10.7270/Q21R6QBZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50264673
PNG
((R)-5-(3-(2-(2-(3-chlorophenyl)-2-hydroxyethylamin...)
Show SMILES Cc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(O)=O |r|
Show InChI InChI=1S/C24H24ClNO4/c1-16-8-9-21(14-22(16)24(28)29)30-20-7-2-4-17(12-20)10-11-26-15-23(27)18-5-3-6-19(25)13-18/h2-9,12-14,23,26-27H,10-11,15H2,1H3,(H,28,29)/t23-/m0/s1
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n/an/an/an/a 550n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta1 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 18: 5037-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.009
BindingDB Entry DOI: 10.7270/Q21R6QBZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50264711
PNG
((R)-2-fluoro-5-(3-(2-(2-hydroxy-2-(pyridin-3-yl)et...)
Show SMILES O[C@@H](CNCCc1cccc(Oc2ccc(F)c(c2)C(O)=O)c1)c1cccnc1 |r|
Show InChI InChI=1S/C22H21FN2O4/c23-20-7-6-18(12-19(20)22(27)28)29-17-5-1-3-15(11-17)8-10-25-14-21(26)16-4-2-9-24-13-16/h1-7,9,11-13,21,25-26H,8,10,14H2,(H,27,28)/t21-/m0/s1
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n/an/an/an/a 840n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta1 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 18: 5037-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.009
BindingDB Entry DOI: 10.7270/Q21R6QBZ
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50236152
PNG
(4'-{2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamin...)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(cc1)C(O)=O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C23H22ClNO3/c24-21-3-1-2-20(14-21)22(26)15-25-13-12-16-4-6-17(7-5-16)18-8-10-19(11-9-18)23(27)28/h1-11,14,22,25-26H,12-13,15H2,(H,27,28)/t22-/m0/s1
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n/an/an/an/a 6.70n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 18: 5037-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.009
BindingDB Entry DOI: 10.7270/Q21R6QBZ
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50264558
PNG
((R)-2-chloro-5-(3-(2-(2-(3-chlorophenyl)-2-hydroxy...)
Show SMILES O[C@@H](CNCCc1cccc(Oc2ccc(Cl)c(c2)C(O)=O)c1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C23H21Cl2NO4/c24-17-5-2-4-16(12-17)22(27)14-26-10-9-15-3-1-6-18(11-15)30-19-7-8-21(25)20(13-19)23(28)29/h1-8,11-13,22,26-27H,9-10,14H2,(H,28,29)/t22-/m0/s1
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n/an/an/an/a 9.5n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 18: 5037-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.009
BindingDB Entry DOI: 10.7270/Q21R6QBZ
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50264676
PNG
((R)-2-acetamido-5-(3-(2-(2-(3-chlorophenyl)-2-hydr...)
Show SMILES CC(=O)Nc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(O)=O |r|
Show InChI InChI=1S/C25H25ClN2O5/c1-16(29)28-23-9-8-21(14-22(23)25(31)32)33-20-7-2-4-17(12-20)10-11-27-15-24(30)18-5-3-6-19(26)13-18/h2-9,12-14,24,27,30H,10-11,15H2,1H3,(H,28,29)(H,31,32)/t24-/m0/s1
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n/an/an/an/a 7.20n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 18: 5037-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.009
BindingDB Entry DOI: 10.7270/Q21R6QBZ
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50264710
PNG
((R)-3-benzamido-5-(3-(2-(2-(3-chlorophenyl)-2-hydr...)
Show SMILES O[C@@H](CNCCc1cccc(Oc2cc(NC(=O)c3ccccc3)cc(c2)C(O)=O)c1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C30H27ClN2O5/c31-24-10-5-9-22(15-24)28(34)19-32-13-12-20-6-4-11-26(14-20)38-27-17-23(30(36)37)16-25(18-27)33-29(35)21-7-2-1-3-8-21/h1-11,14-18,28,32,34H,12-13,19H2,(H,33,35)(H,36,37)/t28-/m0/s1
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n/an/an/an/a 21n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 18: 5037-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.009
BindingDB Entry DOI: 10.7270/Q21R6QBZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50236187
PNG
((R)-3-(4-(2-(2-(3-chlorophenyl)-2-hydroxyethylamin...)
Show SMILES O[C@@H](CNCCc1ccc(Oc2cccc(c2)C(O)=O)cc1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C23H22ClNO4/c24-19-5-1-3-17(13-19)22(26)15-25-12-11-16-7-9-20(10-8-16)29-21-6-2-4-18(14-21)23(27)28/h1-10,13-14,22,25-26H,11-12,15H2,(H,27,28)/t22-/m0/s1
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n/an/an/an/a>100n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta1 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 18: 5037-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.009
BindingDB Entry DOI: 10.7270/Q21R6QBZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50264628
PNG
((R)-3-(3-(2-(2-(3-chlorophenyl)-2-hydroxyethylamin...)
Show SMILES O[C@@H](CNCCc1cccc(Oc2cccc(c2)C(O)=O)c1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C23H22ClNO4/c24-19-7-2-5-17(13-19)22(26)15-25-11-10-16-4-1-8-20(12-16)29-21-9-3-6-18(14-21)23(27)28/h1-9,12-14,22,25-26H,10-11,15H2,(H,27,28)/t22-/m0/s1
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n/an/an/an/a>100n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta1 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 18: 5037-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.009
BindingDB Entry DOI: 10.7270/Q21R6QBZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50264629
PNG
((R)-5-(3-(2-(2-(3-chlorophenyl)-2-hydroxyethylamin...)
Show SMILES O[C@@H](CNCCc1cccc(Oc2ccc(F)c(c2)C(O)=O)c1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C23H21ClFNO4/c24-17-5-2-4-16(12-17)22(27)14-26-10-9-15-3-1-6-18(11-15)30-19-7-8-21(25)20(13-19)23(28)29/h1-8,11-13,22,26-27H,9-10,14H2,(H,28,29)/t22-/m0/s1
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n/an/an/an/a 140n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta1 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 18: 5037-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.009
BindingDB Entry DOI: 10.7270/Q21R6QBZ
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50264675
PNG
((R)-5-(3-(2-(2-(3-chlorophenyl)-2-hydroxyethylamin...)
Show SMILES CC(C)Oc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(O)=O |r|
Show InChI InChI=1S/C26H28ClNO5/c1-17(2)32-25-10-9-22(15-23(25)26(30)31)33-21-8-3-5-18(13-21)11-12-28-16-24(29)19-6-4-7-20(27)14-19/h3-10,13-15,17,24,28-29H,11-12,16H2,1-2H3,(H,30,31)/t24-/m0/s1
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n/an/an/an/a 3.40n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 18: 5037-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.009
BindingDB Entry DOI: 10.7270/Q21R6QBZ
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50264709
PNG
((R)-5-(3-(2-(2-(3-chlorophenyl)-2-hydroxyethylamin...)
Show SMILES CC(C)(C)C(=O)Nc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(O)=O |r|
Show InChI InChI=1S/C28H31ClN2O5/c1-28(2,3)27(35)31-24-11-10-22(16-23(24)26(33)34)36-21-9-4-6-18(14-21)12-13-30-17-25(32)19-7-5-8-20(29)15-19/h4-11,14-16,25,30,32H,12-13,17H2,1-3H3,(H,31,35)(H,33,34)/t25-/m0/s1
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n/an/an/an/a 4.60n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 18: 5037-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.009
BindingDB Entry DOI: 10.7270/Q21R6QBZ
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50264586
PNG
((R)-3-acetamido-5-(3-(2-(2-(3-chlorophenyl)-2-hydr...)
Show SMILES CC(=O)Nc1cc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc(c1)C(O)=O |r|
Show InChI InChI=1S/C25H25ClN2O5/c1-16(29)28-21-12-19(25(31)32)13-23(14-21)33-22-7-2-4-17(10-22)8-9-27-15-24(30)18-5-3-6-20(26)11-18/h2-7,10-14,24,27,30H,8-9,15H2,1H3,(H,28,29)(H,31,32)/t24-/m0/s1
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n/an/an/an/a 6.5n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 18: 5037-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.009
BindingDB Entry DOI: 10.7270/Q21R6QBZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50264586
PNG
((R)-3-acetamido-5-(3-(2-(2-(3-chlorophenyl)-2-hydr...)
Show SMILES CC(=O)Nc1cc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc(c1)C(O)=O |r|
Show InChI InChI=1S/C25H25ClN2O5/c1-16(29)28-21-12-19(25(31)32)13-23(14-21)33-22-7-2-4-17(10-22)8-9-27-15-24(30)18-5-3-6-20(26)11-18/h2-7,10-14,24,27,30H,8-9,15H2,1H3,(H,28,29)(H,31,32)/t24-/m0/s1
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n/an/an/an/a 240n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta1 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 18: 5037-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.009
BindingDB Entry DOI: 10.7270/Q21R6QBZ
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Canis familiaris)		BDBM50264675
PNG
((R)-5-(3-(2-(2-(3-chlorophenyl)-2-hydroxyethylamin...)
Show SMILES CC(C)Oc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(O)=O |r|
Show InChI InChI=1S/C26H28ClNO5/c1-17(2)32-25-10-9-22(15-23(25)26(30)31)33-21-8-3-5-18(13-21)11-12-28-16-24(29)19-6-4-7-20(27)14-19/h3-10,13-15,17,24,28-29H,11-12,16H2,1-2H3,(H,30,31)/t24-/m0/s1
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n/an/an/an/a 3.20n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at dog cloned adrenergic beta3 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 18: 5037-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.009
BindingDB Entry DOI: 10.7270/Q21R6QBZ
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50264629
PNG
((R)-5-(3-(2-(2-(3-chlorophenyl)-2-hydroxyethylamin...)
Show SMILES O[C@@H](CNCCc1cccc(Oc2ccc(F)c(c2)C(O)=O)c1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C23H21ClFNO4/c24-17-5-2-4-16(12-17)22(27)14-26-10-9-15-3-1-6-18(11-15)30-19-7-8-21(25)20(13-19)23(28)29/h1-8,11-13,22,26-27H,9-10,14H2,(H,28,29)/t22-/m0/s1
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n/an/an/an/a 9.40n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 18: 5037-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.009
BindingDB Entry DOI: 10.7270/Q21R6QBZ
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50264674
PNG
((R)-5-(3-(2-(2-(3-chlorophenyl)-2-hydroxyethylamin...)
Show SMILES COc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(O)=O |r|
Show InChI InChI=1S/C24H24ClNO5/c1-30-23-9-8-20(14-21(23)24(28)29)31-19-7-2-4-16(12-19)10-11-26-15-22(27)17-5-3-6-18(25)13-17/h2-9,12-14,22,26-27H,10-11,15H2,1H3,(H,28,29)/t22-/m0/s1
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n/an/an/an/a 11n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 18: 5037-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.009
BindingDB Entry DOI: 10.7270/Q21R6QBZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50236152
PNG
(4'-{2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamin...)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(cc1)C(O)=O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C23H22ClNO3/c24-21-3-1-2-20(14-21)22(26)15-25-13-12-16-4-6-17(7-5-16)18-8-10-19(11-9-18)23(27)28/h1-11,14,22,25-26H,12-13,15H2,(H,27,28)/t22-/m0/s1
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n/an/an/an/a 280n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta1 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 18: 5037-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.009
BindingDB Entry DOI: 10.7270/Q21R6QBZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50264627
PNG
((R)-4-(3-(2-(2-(3-chlorophenyl)-2-hydroxyethylamin...)
Show SMILES O[C@@H](CNCCc1cccc(Oc2ccc(cc2)C(O)=O)c1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C23H22ClNO4/c24-19-5-2-4-18(14-19)22(26)15-25-12-11-16-3-1-6-21(13-16)29-20-9-7-17(8-10-20)23(27)28/h1-10,13-14,22,25-26H,11-12,15H2,(H,27,28)/t22-/m0/s1
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n/an/an/an/a>100n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta1 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 18: 5037-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.009
BindingDB Entry DOI: 10.7270/Q21R6QBZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50264709
PNG
((R)-5-(3-(2-(2-(3-chlorophenyl)-2-hydroxyethylamin...)
Show SMILES CC(C)(C)C(=O)Nc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(O)=O |r|
Show InChI InChI=1S/C28H31ClN2O5/c1-28(2,3)27(35)31-24-11-10-22(16-23(24)26(33)34)36-21-9-4-6-18(14-21)12-13-30-17-25(32)19-7-5-8-20(29)15-19/h4-11,14-16,25,30,32H,12-13,17H2,1-3H3,(H,31,35)(H,33,34)/t25-/m0/s1
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n/an/an/an/a 620n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta1 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 18: 5037-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.009
BindingDB Entry DOI: 10.7270/Q21R6QBZ
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50264139
PNG
(3-(3-((R)-2-((R)-2-(3-chlorophenyl)-2-hydroxyethyl...)
Show SMILES C[C@H](Cc1cccc(Oc2cccc(c2)C(O)=O)c1)NC[C@H](O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C24H24ClNO4/c1-16(26-15-23(27)18-6-3-8-20(25)13-18)11-17-5-2-9-21(12-17)30-22-10-4-7-19(14-22)24(28)29/h2-10,12-14,16,23,26-27H,11,15H2,1H3,(H,28,29)/t16-,23+/m1/s1
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n/an/an/an/a 1.90n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 18: 5037-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.009
BindingDB Entry DOI: 10.7270/Q21R6QBZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%