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PubMed code 11806709

Compile data set for download or QSAR
Found 63 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 and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50422411
PNG
(CHEMBL154419)
Show SMILES C[C@H](CNc1ccc(CC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H23ClN2O3/c1-13(21-12-18(23)15-3-2-4-16(20)10-15)11-22-17-7-5-14(6-8-17)9-19(24)25/h2-8,10,13,18,21-23H,9,11-12H2,1H3,(H,24,25)/t13-,18+/m1/s1
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PubMed
n/an/a 794n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Receptor binding assay(Beta-2 adrenergic receptor) carried out with membranes prepared from human recombinant Sf9 cells expressing the cloned human r...


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50422411
PNG
(CHEMBL154419)
Show SMILES C[C@H](CNc1ccc(CC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H23ClN2O3/c1-13(21-12-18(23)15-3-2-4-16(20)10-15)11-22-17-7-5-14(6-8-17)9-19(24)25/h2-8,10,13,18,21-23H,9,11-12H2,1H3,(H,24,25)/t13-,18+/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Receptor binding assay(Beta-1 adrenergic receptor) carried out with membranes prepared from human recombinant Sf9 cells expressing the cloned human r...


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50422410
PNG
(CHEMBL348501)
Show SMILES C[C@H](CNc1ccc(CC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C26H30ClN3O4S/c1-18-6-12-24(13-7-18)35(33,34)30-26(32)14-20-8-10-23(11-9-20)29-16-19(2)28-17-25(31)21-4-3-5-22(27)15-21/h3-13,15,19,25,28-29,31H,14,16-17H2,1-2H3,(H,30,32)/t19-,25+/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Receptor binding assay(Beta-1 adrenergic receptor) carried out with membranes prepared from human recombinant Sf9 cells expressing the cloned human r...


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50422410
PNG
(CHEMBL348501)
Show SMILES C[C@H](CNc1ccc(CC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C26H30ClN3O4S/c1-18-6-12-24(13-7-18)35(33,34)30-26(32)14-20-8-10-23(11-9-20)29-16-19(2)28-17-25(31)21-4-3-5-22(27)15-21/h3-13,15,19,25,28-29,31H,14,16-17H2,1-2H3,(H,30,32)/t19-,25+/m1/s1
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n/an/a 5.01E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Receptor binding assay(Beta-2 adrenergic receptor) carried out with membranes prepared from human recombinant Sf9 cells expressing the cloned human r...


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50422409
PNG
(CHEMBL347582)
Show SMILES C[C@H](CNc1cccc(CC(=O)NS(=O)(=O)c2ccc(C)cc2)c1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C26H30ClN3O4S/c1-18-9-11-24(12-10-18)35(33,34)30-26(32)14-20-5-3-8-23(13-20)29-16-19(2)28-17-25(31)21-6-4-7-22(27)15-21/h3-13,15,19,25,28-29,31H,14,16-17H2,1-2H3,(H,30,32)/t19-,25+/m1/s1
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n/an/a 5.01E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Receptor binding assay(Beta-1 adrenergic receptor) carried out with membranes prepared from human recombinant Sf9 cells expressing the cloned human r...


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50422409
PNG
(CHEMBL347582)
Show SMILES C[C@H](CNc1cccc(CC(=O)NS(=O)(=O)c2ccc(C)cc2)c1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C26H30ClN3O4S/c1-18-9-11-24(12-10-18)35(33,34)30-26(32)14-20-5-3-8-23(13-20)29-16-19(2)28-17-25(31)21-6-4-7-22(27)15-21/h3-13,15,19,25,28-29,31H,14,16-17H2,1-2H3,(H,30,32)/t19-,25+/m1/s1
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n/an/a 1.58E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Receptor binding assay(Beta-2 adrenergic receptor) carried out with membranes prepared from human recombinant Sf9 cells expressing the cloned human r...


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50027817
PNG
(CHEMBL345304)
Show SMILES C[C@H](CNc1ccc(CNC(C)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H26ClN3O2/c1-14(22-13-20(26)17-4-3-5-18(21)10-17)11-24-19-8-6-16(7-9-19)12-23-15(2)25/h3-10,14,20,22,24,26H,11-13H2,1-2H3,(H,23,25)/t14-,20+/m1/s1
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n/an/an/an/a 7.90n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to cause cAMP accumulation in CHO cells expressing human beta-1 AR expressed as the negative logarithm of the molar drug concentration


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50027814
PNG
(CHEMBL348269)
Show SMILES C[C@H](CNc1ccc(CCNS(=O)(=O)c2ccc(C)cc2)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C26H32ClN3O3S/c1-19-6-12-25(13-7-19)34(32,33)30-15-14-21-8-10-24(11-9-21)29-17-20(2)28-18-26(31)22-4-3-5-23(27)16-22/h3-13,16,20,26,28-31H,14-15,17-18H2,1-2H3/t20-,26+/m1/s1
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n/an/an/an/a 10n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to cause cAMP accumulation in CHO cells expressing human beta-2 AR expressed as the negative logarithm of the molar drug concentration


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50027823
PNG
(CHEMBL157210)
Show SMILES C[C@H](CNc1ccc(CC(=O)NS(C)(=O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H26ClN3O4S/c1-14(22-13-19(25)16-4-3-5-17(21)11-16)12-23-18-8-6-15(7-9-18)10-20(26)24-29(2,27)28/h3-9,11,14,19,22-23,25H,10,12-13H2,1-2H3,(H,24,26)/t14-,19+/m1/s1
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n/an/an/an/a 5n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to cause cAMP accumulation in CHO cells expressing human beta-3 AR expressed as the negative logarithm of the molar drug concentration


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50027815
PNG
(CHEMBL155092)
Show SMILES C[C@H](CNc1ccc(cc1)C(O)=O)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C18H21ClN2O3/c1-12(10-21-16-7-5-13(6-8-16)18(23)24)20-11-17(22)14-3-2-4-15(19)9-14/h2-9,12,17,20-22H,10-11H2,1H3,(H,23,24)/t12-,17+/m1/s1
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n/an/an/an/a 3.16E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to cause cAMP accumulation in CHO cells expressing human beta-2 AR expressed as the negative logarithm of the molar drug concentration


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50422410
PNG
(CHEMBL348501)
Show SMILES C[C@H](CNc1ccc(CC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C26H30ClN3O4S/c1-18-6-12-24(13-7-18)35(33,34)30-26(32)14-20-8-10-23(11-9-20)29-16-19(2)28-17-25(31)21-4-3-5-22(27)15-21/h3-13,15,19,25,28-29,31H,14,16-17H2,1-2H3,(H,30,32)/t19-,25+/m1/s1
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n/an/an/an/a 1.30n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to cause cAMP accumulation in CHO cells expressing human beta-3 AR expressed as the negative logarithm of the molar drug concentration


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50027816
PNG
(CHEMBL154370)
Show SMILES C[C@H](CNc1ccc(CC(=O)NCc2ccc(C)cc2)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C27H32ClN3O2/c1-19-6-8-22(9-7-19)17-31-27(33)14-21-10-12-25(13-11-21)30-16-20(2)29-18-26(32)23-4-3-5-24(28)15-23/h3-13,15,20,26,29-30,32H,14,16-18H2,1-2H3,(H,31,33)/t20-,26+/m1/s1
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n/an/an/an/a 1n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to cause cAMP accumulation in CHO cells expressing human beta-2 AR expressed as the negative logarithm of the molar drug concentration


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50027822
PNG
(CHEMBL154150)
Show SMILES C[C@H](CNc1ccc(CC(=O)Nc2nccs2)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C22H25ClN4O2S/c1-15(25-14-20(28)17-3-2-4-18(23)12-17)13-26-19-7-5-16(6-8-19)11-21(29)27-22-24-9-10-30-22/h2-10,12,15,20,25-26,28H,11,13-14H2,1H3,(H,24,27,29)/t15-,20+/m1/s1
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n/an/an/an/a 3.20n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to cause cAMP accumulation in CHO cells expressing human beta-1 AR expressed as the negative logarithm of the molar drug concentration


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50002598
PNG
(CHEMBL152535)
Show SMILES C[C@H](Cc1ccc(OCC([O-])=O)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H22ClNO4.Na/c1-13(21-11-18(22)15-3-2-4-16(20)10-15)9-14-5-7-17(8-6-14)25-12-19(23)24;/h2-8,10,13,18,21-22H,9,11-12H2,1H3,(H,23,24);/q;+1/p-1/t13-,18+;/m1./s1
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n/an/an/an/a 50n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to cause cAMP accumulation in CHO cells expressing human beta-2 AR expressed as the negative logarithm of the molar drug concentration


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50027818
PNG
(CHEMBL347400)
Show SMILES C[C@H](CNc1cccc(CCS(=O)(=O)NS(=O)(=O)c2ccccc2)c1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C25H30ClN3O5S2/c1-19(27-18-25(30)21-8-6-9-22(26)16-21)17-28-23-10-5-7-20(15-23)13-14-35(31,32)29-36(33,34)24-11-3-2-4-12-24/h2-12,15-16,19,25,27-30H,13-14,17-18H2,1H3/t19-,25+/m1/s1
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n/an/an/an/a 1.60n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity against human beta 3 adrenergic receptor (AR), expressed in CHO cells.


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50027811
PNG
(CHEMBL422876)
Show SMILES C[C@H](CNc1ccc(CCS(=O)(=O)NC(=O)c2ccccc2)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C26H30ClN3O4S/c1-19(28-18-25(31)22-8-5-9-23(27)16-22)17-29-24-12-10-20(11-13-24)14-15-35(33,34)30-26(32)21-6-3-2-4-7-21/h2-13,16,19,25,28-29,31H,14-15,17-18H2,1H3,(H,30,32)/t19-,25+/m1/s1
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n/an/an/an/a 316n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Concentration that causes 50% inhibition of human beta 2 adrenergic receptor (AR), expressed in CHO cells.


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50027817
PNG
(CHEMBL345304)
Show SMILES C[C@H](CNc1ccc(CNC(C)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H26ClN3O2/c1-14(22-13-20(26)17-4-3-5-18(21)10-17)11-24-19-8-6-16(7-9-19)12-23-15(2)25/h3-10,14,20,22,24,26H,11-13H2,1-2H3,(H,23,25)/t14-,20+/m1/s1
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n/an/an/an/a 3.20n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to cause cAMP accumulation in CHO cells expressing human beta-2 AR expressed as the negative logarithm of the molar drug concentration


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50422410
PNG
(CHEMBL348501)
Show SMILES C[C@H](CNc1ccc(CC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C26H30ClN3O4S/c1-18-6-12-24(13-7-18)35(33,34)30-26(32)14-20-8-10-23(11-9-20)29-16-19(2)28-17-25(31)21-4-3-5-22(27)15-21/h3-13,15,19,25,28-29,31H,14,16-17H2,1-2H3,(H,30,32)/t19-,25+/m1/s1
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n/an/an/an/a 79n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to cause cAMP accumulation in CHO cells expressing human beta-2 AR expressed as the negative logarithm of the molar drug concentration


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50027810
PNG
(CHEMBL154036)
Show SMILES C[C@H](CNc1cccc(CC(O)=O)c1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H23ClN2O3/c1-13(21-12-18(23)15-5-3-6-16(20)10-15)11-22-17-7-2-4-14(8-17)9-19(24)25/h2-8,10,13,18,21-23H,9,11-12H2,1H3,(H,24,25)/t13-,18+/m1/s1
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n/an/an/an/a<1.00E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to cause cAMP accumulation in CHO cells expressing human beta-1 AR expressed as the negative logarithm of the molar drug concentration


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50027821
PNG
(CHEMBL347616)
Show SMILES C[C@H](CNc1ccc(CC(=O)NS(=O)(=O)c2ccccc2)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C25H28ClN3O4S/c1-18(27-17-24(30)20-6-5-7-21(26)15-20)16-28-22-12-10-19(11-13-22)14-25(31)29-34(32,33)23-8-3-2-4-9-23/h2-13,15,18,24,27-28,30H,14,16-17H2,1H3,(H,29,31)/t18-,24+/m1/s1
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n/an/an/an/a 32n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to cause cAMP accumulation in CHO cells expressing human beta-2 AR expressed as the negative logarithm of the molar drug concentration


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50027809
PNG
(CHEMBL154906)
Show SMILES C[C@H](CNc1cccc(CNC(=O)NS(=O)(=O)c2ccccc2)c1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C25H29ClN4O4S/c1-18(27-17-24(31)20-8-6-9-21(26)14-20)15-28-22-10-5-7-19(13-22)16-29-25(32)30-35(33,34)23-11-3-2-4-12-23/h2-14,18,24,27-28,31H,15-17H2,1H3,(H2,29,30,32)/t18-,24+/m1/s1
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n/an/an/an/a 251n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Concentration that causes 50% inhibition of human beta 2 adrenergic receptor (AR), expressed in CHO cells.


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50027812
PNG
(CHEMBL155072)
Show SMILES C[C@H](CNc1ccccc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C17H21ClN2O/c1-13(11-20-16-8-3-2-4-9-16)19-12-17(21)14-6-5-7-15(18)10-14/h2-10,13,17,19-21H,11-12H2,1H3/t13-,17+/m1/s1
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n/an/an/an/a 20n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to cause cAMP accumulation in CHO cells expressing human beta-3 AR expressed as the negative logarithm of the molar drug concentration


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50027819
PNG
(CHEMBL153916)
Show SMILES C[C@H](CNc1ccc(CNS(C)(=O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H26ClN3O3S/c1-14(21-13-19(24)16-4-3-5-17(20)10-16)11-22-18-8-6-15(7-9-18)12-23-27(2,25)26/h3-10,14,19,21-24H,11-13H2,1-2H3/t14-,19+/m1/s1
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n/an/an/an/a 20n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to cause cAMP accumulation in CHO cells expressing human beta-3 AR expressed as the negative logarithm of the molar drug concentration


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50027811
PNG
(CHEMBL422876)
Show SMILES C[C@H](CNc1ccc(CCS(=O)(=O)NC(=O)c2ccccc2)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C26H30ClN3O4S/c1-19(28-18-25(31)22-8-5-9-23(27)16-22)17-29-24-12-10-20(11-13-24)14-15-35(33,34)30-26(32)21-6-3-2-4-7-21/h2-13,16,19,25,28-29,31H,14-15,17-18H2,1H3,(H,30,32)/t19-,25+/m1/s1
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n/an/an/an/a 10n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to cause cAMP accumulation in CHO cells expressing human beta-3 AR expressed as the negative logarithm of the molar drug concentration


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50027813
PNG
(CHEMBL153558)
Show SMILES C[C@H](CNc1ccc(CCC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H25ClN2O3/c1-14(22-13-19(24)16-3-2-4-17(21)11-16)12-23-18-8-5-15(6-9-18)7-10-20(25)26/h2-6,8-9,11,14,19,22-24H,7,10,12-13H2,1H3,(H,25,26)/t14-,19+/m1/s1
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n/an/an/an/a 398n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to cause cAMP accumulation in CHO cells expressing human beta-2 AR expressed as the negative logarithm of the molar drug concentration


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50422409
PNG
(CHEMBL347582)
Show SMILES C[C@H](CNc1cccc(CC(=O)NS(=O)(=O)c2ccc(C)cc2)c1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C26H30ClN3O4S/c1-18-9-11-24(12-10-18)35(33,34)30-26(32)14-20-5-3-8-23(13-20)29-16-19(2)28-17-25(31)21-6-4-7-22(27)15-21/h3-13,15,19,25,28-29,31H,14,16-17H2,1-2H3,(H,30,32)/t19-,25+/m1/s1
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n/an/an/an/a 6.30n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to cause cAMP accumulation in CHO cells expressing human beta-3 AR expressed as the negative logarithm of the molar drug concentration


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50027818
PNG
(CHEMBL347400)
Show SMILES C[C@H](CNc1cccc(CCS(=O)(=O)NS(=O)(=O)c2ccccc2)c1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C25H30ClN3O5S2/c1-19(27-18-25(30)21-8-6-9-22(26)16-21)17-28-23-10-5-7-20(15-23)13-14-35(31,32)29-36(33,34)24-11-3-2-4-12-24/h2-12,15-16,19,25,27-30H,13-14,17-18H2,1H3/t19-,25+/m1/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity against human beta 2 adrenergic receptor (AR), expressed in CHO cells


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50027809
PNG
(CHEMBL154906)
Show SMILES C[C@H](CNc1cccc(CNC(=O)NS(=O)(=O)c2ccccc2)c1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C25H29ClN4O4S/c1-18(27-17-24(31)20-8-6-9-21(26)14-20)15-28-22-10-5-7-19(13-22)16-29-25(32)30-35(33,34)23-11-3-2-4-12-23/h2-14,18,24,27-28,31H,15-17H2,1H3,(H2,29,30,32)/t18-,24+/m1/s1
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n/an/an/an/a 398n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Concentration that causes 50% inhibition of human beta 1 adrenergic receptor (AR), expressed in CHO cells.


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50027815
PNG
(CHEMBL155092)
Show SMILES C[C@H](CNc1ccc(cc1)C(O)=O)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C18H21ClN2O3/c1-12(10-21-16-7-5-13(6-8-16)18(23)24)20-11-17(22)14-3-2-4-15(19)9-14/h2-9,12,17,20-22H,10-11H2,1H3,(H,23,24)/t12-,17+/m1/s1
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n/an/an/an/a 631n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to cause cAMP accumulation in CHO cells expressing human beta-1 AR expressed as the negative logarithm of the molar drug concentration


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50422411
PNG
(CHEMBL154419)
Show SMILES C[C@H](CNc1ccc(CC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H23ClN2O3/c1-13(21-12-18(23)15-3-2-4-16(20)10-15)11-22-17-7-5-14(6-8-17)9-19(24)25/h2-8,10,13,18,21-23H,9,11-12H2,1H3,(H,24,25)/t13-,18+/m1/s1
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n/an/an/an/a 79n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to cause cAMP accumulation in CHO cells expressing human beta-1 AR expressed as the negative logarithm of the molar drug concentration


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50027810
PNG
(CHEMBL154036)
Show SMILES C[C@H](CNc1cccc(CC(O)=O)c1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H23ClN2O3/c1-13(21-12-18(23)15-5-3-6-16(20)10-15)11-22-17-7-2-4-14(8-17)9-19(24)25/h2-8,10,13,18,21-23H,9,11-12H2,1H3,(H,24,25)/t13-,18+/m1/s1
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n/an/an/an/a 316n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to cause cAMP accumulation in CHO cells expressing human beta-3 AR expressed as the negative logarithm of the molar drug concentration


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50027823
PNG
(CHEMBL157210)
Show SMILES C[C@H](CNc1ccc(CC(=O)NS(C)(=O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H26ClN3O4S/c1-14(22-13-19(25)16-4-3-5-17(21)11-16)12-23-18-8-6-15(7-9-18)10-20(26)24-29(2,27)28/h3-9,11,14,19,22-23,25H,10,12-13H2,1-2H3,(H,24,26)/t14-,19+/m1/s1
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n/an/an/an/a 20n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to cause cAMP accumulation in CHO cells expressing human beta-2 AR expressed as the negative logarithm of the molar drug concentration


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50027822
PNG
(CHEMBL154150)
Show SMILES C[C@H](CNc1ccc(CC(=O)Nc2nccs2)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C22H25ClN4O2S/c1-15(25-14-20(28)17-3-2-4-18(23)12-17)13-26-19-7-5-16(6-8-19)11-21(29)27-22-24-9-10-30-22/h2-10,12,15,20,25-26,28H,11,13-14H2,1H3,(H,24,27,29)/t15-,20+/m1/s1
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n/an/an/an/a 1.30n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to cause cAMP accumulation in CHO cells expressing human beta-3 AR expressed as the negative logarithm of the molar drug concentration


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50027811
PNG
(CHEMBL422876)
Show SMILES C[C@H](CNc1ccc(CCS(=O)(=O)NC(=O)c2ccccc2)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C26H30ClN3O4S/c1-19(28-18-25(31)22-8-5-9-23(27)16-22)17-29-24-12-10-20(11-13-24)14-15-35(33,34)30-26(32)21-6-3-2-4-7-21/h2-13,16,19,25,28-29,31H,14-15,17-18H2,1H3,(H,30,32)/t19-,25+/m1/s1
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n/an/an/an/a 794n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Concentration that causes 50% inhibition of human beta 1 adrenergic receptor (AR), expressed in CHO cells.


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50027821
PNG
(CHEMBL347616)
Show SMILES C[C@H](CNc1ccc(CC(=O)NS(=O)(=O)c2ccccc2)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C25H28ClN3O4S/c1-18(27-17-24(30)20-6-5-7-21(26)15-20)16-28-22-12-10-19(11-13-22)14-25(31)29-34(32,33)23-8-3-2-4-9-23/h2-13,15,18,24,27-28,30H,14,16-17H2,1H3,(H,29,31)/t18-,24+/m1/s1
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n/an/an/an/a 0.790n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to cause cAMP accumulation in CHO cells expressing human beta-3 AR expressed as the negative logarithm of the molar drug concentration


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50422410
PNG
(CHEMBL348501)
Show SMILES C[C@H](CNc1ccc(CC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C26H30ClN3O4S/c1-18-6-12-24(13-7-18)35(33,34)30-26(32)14-20-8-10-23(11-9-20)29-16-19(2)28-17-25(31)21-4-3-5-22(27)15-21/h3-13,15,19,25,28-29,31H,14,16-17H2,1-2H3,(H,30,32)/t19-,25+/m1/s1
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n/an/an/an/a 631n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to cause cAMP accumulation in CHO cells expressing human beta-1 AR expressed as the negative logarithm of the molar drug concentration


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50422409
PNG
(CHEMBL347582)
Show SMILES C[C@H](CNc1cccc(CC(=O)NS(=O)(=O)c2ccc(C)cc2)c1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C26H30ClN3O4S/c1-18-9-11-24(12-10-18)35(33,34)30-26(32)14-20-5-3-8-23(13-20)29-16-19(2)28-17-25(31)21-6-4-7-22(27)15-21/h3-13,15,19,25,28-29,31H,14,16-17H2,1-2H3,(H,30,32)/t19-,25+/m1/s1
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n/an/an/an/a<1.00E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Concentration that causes 50% inhibition of human beta 2 adrenergic receptor (AR), expressed in CHO cells.


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50027821
PNG
(CHEMBL347616)
Show SMILES C[C@H](CNc1ccc(CC(=O)NS(=O)(=O)c2ccccc2)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C25H28ClN3O4S/c1-18(27-17-24(30)20-6-5-7-21(26)15-20)16-28-22-12-10-19(11-13-22)14-25(31)29-34(32,33)23-8-3-2-4-9-23/h2-13,15,18,24,27-28,30H,14,16-17H2,1H3,(H,29,31)/t18-,24+/m1/s1
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n/an/an/an/a 794n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to cause cAMP accumulation in CHO cells expressing human beta-1 AR expressed as the negative logarithm of the molar drug concentration


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50422411
PNG
(CHEMBL154419)
Show SMILES C[C@H](CNc1ccc(CC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H23ClN2O3/c1-13(21-12-18(23)15-3-2-4-16(20)10-15)11-22-17-7-5-14(6-8-17)9-19(24)25/h2-8,10,13,18,21-23H,9,11-12H2,1H3,(H,24,25)/t13-,18+/m1/s1
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n/an/an/an/a 50n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to cause cAMP accumulation in CHO cells expressing human beta-2 AR expressed as the negative logarithm of the molar drug concentration


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
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 3.20n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity against human beta 3 adrenergic receptor (AR), expressed in CHO cells.


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50027819
PNG
(CHEMBL153916)
Show SMILES C[C@H](CNc1ccc(CNS(C)(=O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H26ClN3O3S/c1-14(21-13-19(24)16-4-3-5-17(20)10-16)11-22-18-8-6-15(7-9-18)12-23-27(2,25)26/h3-10,14,19,21-24H,11-13H2,1-2H3/t14-,19+/m1/s1
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n/an/an/an/a 5n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to cause cAMP accumulation in CHO cells expressing human beta-2 AR expressed as the negative logarithm of the molar drug concentration


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50027812
PNG
(CHEMBL155072)
Show SMILES C[C@H](CNc1ccccc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C17H21ClN2O/c1-13(11-20-16-8-3-2-4-9-16)19-12-17(21)14-6-5-7-15(18)10-14/h2-10,13,17,19-21H,11-12H2,1H3/t13-,17+/m1/s1
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n/an/an/an/a 10n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to cause cAMP accumulation in CHO cells expressing human beta-2 AR expressed as the negative logarithm of the molar drug concentration


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50027818
PNG
(CHEMBL347400)
Show SMILES C[C@H](CNc1cccc(CCS(=O)(=O)NS(=O)(=O)c2ccccc2)c1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C25H30ClN3O5S2/c1-19(27-18-25(30)21-8-6-9-22(26)16-21)17-28-23-10-5-7-20(15-23)13-14-35(31,32)29-36(33,34)24-11-3-2-4-12-24/h2-12,15-16,19,25,27-30H,13-14,17-18H2,1H3/t19-,25+/m1/s1
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n/an/an/an/a<794n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity against human beta 1 adrenergic receptor (AR), expressed in CHO cells.


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50027817
PNG
(CHEMBL345304)
Show SMILES C[C@H](CNc1ccc(CNC(C)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H26ClN3O2/c1-14(22-13-20(26)17-4-3-5-18(21)10-17)11-24-19-8-6-16(7-9-19)12-23-15(2)25/h3-10,14,20,22,24,26H,11-13H2,1-2H3,(H,23,25)/t14-,20+/m1/s1
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n/an/an/an/a 13n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to cause cAMP accumulation in CHO cells expressing human beta-3 AR expressed as the negative logarithm of the molar drug concentration


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50027812
PNG
(CHEMBL155072)
Show SMILES C[C@H](CNc1ccccc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C17H21ClN2O/c1-13(11-20-16-8-3-2-4-9-16)19-12-17(21)14-6-5-7-15(18)10-14/h2-10,13,17,19-21H,11-12H2,1H3/t13-,17+/m1/s1
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n/an/an/an/a 5n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to cause cAMP accumulation in CHO cells expressing human beta-1 AR expressed as the negative logarithm of the molar drug concentration


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50027809
PNG
(CHEMBL154906)
Show SMILES C[C@H](CNc1cccc(CNC(=O)NS(=O)(=O)c2ccccc2)c1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C25H29ClN4O4S/c1-18(27-17-24(31)20-8-6-9-21(26)14-20)15-28-22-10-5-7-19(13-22)16-29-25(32)30-35(33,34)23-11-3-2-4-12-23/h2-14,18,24,27-28,31H,15-17H2,1H3,(H2,29,30,32)/t18-,24+/m1/s1
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n/an/an/an/a 16n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to cause cAMP accumulation in CHO cells expressing human beta-3 AR expressed as the negative logarithm of the molar drug concentration


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50002598
PNG
(CHEMBL152535)
Show SMILES C[C@H](Cc1ccc(OCC([O-])=O)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H22ClNO4.Na/c1-13(21-11-18(22)15-3-2-4-16(20)10-15)9-14-5-7-17(8-6-14)25-12-19(23)24;/h2-8,10,13,18,21-22H,9,11-12H2,1H3,(H,23,24);/q;+1/p-1/t13-,18+;/m1./s1
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n/an/an/an/a 25n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to cause cAMP accumulation in CHO cells expressing human beta-3 AR expressed as the negative logarithm of the molar drug concentration


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50422409
PNG
(CHEMBL347582)
Show SMILES C[C@H](CNc1cccc(CC(=O)NS(=O)(=O)c2ccc(C)cc2)c1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C26H30ClN3O4S/c1-18-9-11-24(12-10-18)35(33,34)30-26(32)14-20-5-3-8-23(13-20)29-16-19(2)28-17-25(31)21-6-4-7-22(27)15-21/h3-13,15,19,25,28-29,31H,14,16-17H2,1-2H3,(H,30,32)/t19-,25+/m1/s1
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n/an/an/an/a<5.01E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Concentration that causes 50% inhibition of human beta 1 adrenergic receptor (AR), expressed in CHO cells.


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50027822
PNG
(CHEMBL154150)
Show SMILES C[C@H](CNc1ccc(CC(=O)Nc2nccs2)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C22H25ClN4O2S/c1-15(25-14-20(28)17-3-2-4-18(23)12-17)13-26-19-7-5-16(6-8-19)11-21(29)27-22-24-9-10-30-22/h2-10,12,15,20,25-26,28H,11,13-14H2,1H3,(H,24,27,29)/t15-,20+/m1/s1
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n/an/an/an/a 7.90n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to cause cAMP accumulation in CHO cells expressing human beta-2 AR expressed as the negative logarithm of the molar drug concentration


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
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 1n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity against human beta 1 adrenergic receptor (AR), expressed in CHO cells.


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50027810
PNG
(CHEMBL154036)
Show SMILES C[C@H](CNc1cccc(CC(O)=O)c1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H23ClN2O3/c1-13(21-12-18(23)15-5-3-6-16(20)10-15)11-22-17-7-2-4-14(8-17)9-19(24)25/h2-8,10,13,18,21-23H,9,11-12H2,1H3,(H,24,25)/t13-,18+/m1/s1
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n/an/an/an/a 50n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to cause cAMP accumulation in CHO cells expressing human beta-2 AR expressed as the negative logarithm of the molar drug concentration


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50027823
PNG
(CHEMBL157210)
Show SMILES C[C@H](CNc1ccc(CC(=O)NS(C)(=O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H26ClN3O4S/c1-14(22-13-19(25)16-4-3-5-17(21)11-16)12-23-18-8-6-15(7-9-18)10-20(26)24-29(2,27)28/h3-9,11,14,19,22-23,25H,10,12-13H2,1-2H3,(H,24,26)/t14-,19+/m1/s1
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n/an/an/an/a 100n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to cause cAMP accumulation in CHO cells expressing human beta-1 AR expressed as the negative logarithm of the molar drug concentration


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50027813
PNG
(CHEMBL153558)
Show SMILES C[C@H](CNc1ccc(CCC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H25ClN2O3/c1-14(22-13-19(24)16-3-2-4-17(21)11-16)12-23-18-8-5-15(6-9-18)7-10-20(25)26/h2-6,8-9,11,14,19,22-24H,7,10,12-13H2,1H3,(H,25,26)/t14-,19+/m1/s1
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n/an/an/an/a 25n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to cause cAMP accumulation in CHO cells expressing human beta-3 AR expressed as the negative logarithm of the molar drug concentration


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and 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 0.160n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity against human beta 2 adrenergic receptor (AR), expressed in CHO cells


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50027815
PNG
(CHEMBL155092)
Show SMILES C[C@H](CNc1ccc(cc1)C(O)=O)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C18H21ClN2O3/c1-12(10-21-16-7-5-13(6-8-16)18(23)24)20-11-17(22)14-3-2-4-15(19)9-14/h2-9,12,17,20-22H,10-11H2,1H3,(H,23,24)/t12-,17+/m1/s1
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n/an/an/an/a 794n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to cause cAMP accumulation in CHO cells expressing human beta-3 AR expressed as the negative logarithm of the molar drug concentration


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50027816
PNG
(CHEMBL154370)
Show SMILES C[C@H](CNc1ccc(CC(=O)NCc2ccc(C)cc2)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C27H32ClN3O2/c1-19-6-8-22(9-7-19)17-31-27(33)14-21-10-12-25(13-11-21)30-16-20(2)29-18-26(32)23-4-3-5-24(28)15-23/h3-13,15,20,26,29-30,32H,14,16-18H2,1-2H3,(H,31,33)/t20-,26+/m1/s1
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n/an/an/an/a 63n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to cause cAMP accumulation in CHO cells expressing human beta-3 AR expressed as the negative logarithm of the molar drug concentration


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50027813
PNG
(CHEMBL153558)
Show SMILES C[C@H](CNc1ccc(CCC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H25ClN2O3/c1-14(22-13-19(24)16-3-2-4-17(21)11-16)12-23-18-8-5-15(6-9-18)7-10-20(25)26/h2-6,8-9,11,14,19,22-24H,7,10,12-13H2,1H3,(H,25,26)/t14-,19+/m1/s1
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n/an/an/an/a 251n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to cause cAMP accumulation in CHO cells expressing human beta-1 AR expressed as the negative logarithm of the molar drug concentration


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50002598
PNG
(CHEMBL152535)
Show SMILES C[C@H](Cc1ccc(OCC([O-])=O)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H22ClNO4.Na/c1-13(21-11-18(22)15-3-2-4-16(20)10-15)9-14-5-7-17(8-6-14)25-12-19(23)24;/h2-8,10,13,18,21-22H,9,11-12H2,1H3,(H,23,24);/q;+1/p-1/t13-,18+;/m1./s1
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n/an/an/an/a<794n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to cause cAMP accumulation in CHO cells expressing human beta-1 AR expressed as the negative logarithm of the molar drug concentration


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50027819
PNG
(CHEMBL153916)
Show SMILES C[C@H](CNc1ccc(CNS(C)(=O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H26ClN3O3S/c1-14(21-13-19(24)16-4-3-5-17(20)10-16)11-22-18-8-6-15(7-9-18)12-23-27(2,25)26/h3-10,14,19,21-24H,11-13H2,1-2H3/t14-,19+/m1/s1
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n/an/an/an/a 5n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to cause cAMP accumulation in CHO cells expressing human beta-1 AR expressed as the negative logarithm of the molar drug concentration


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50027816
PNG
(CHEMBL154370)
Show SMILES C[C@H](CNc1ccc(CC(=O)NCc2ccc(C)cc2)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C27H32ClN3O2/c1-19-6-8-22(9-7-19)17-31-27(33)14-21-10-12-25(13-11-21)30-16-20(2)29-18-26(32)23-4-3-5-24(28)15-23/h3-13,15,20,26,29-30,32H,14,16-18H2,1-2H3,(H,31,33)/t20-,26+/m1/s1
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n/an/an/an/a 25n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to cause cAMP accumulation in CHO cells expressing human beta-1 AR expressed as the negative logarithm of the molar drug concentration


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50027814
PNG
(CHEMBL348269)
Show SMILES C[C@H](CNc1ccc(CCNS(=O)(=O)c2ccc(C)cc2)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C26H32ClN3O3S/c1-19-6-12-25(13-7-19)34(32,33)30-15-14-21-8-10-24(11-9-21)29-17-20(2)28-18-26(31)22-4-3-5-23(27)16-22/h3-13,16,20,26,28-31H,14-15,17-18H2,1-2H3/t20-,26+/m1/s1
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n/an/an/an/a 20n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to cause cAMP accumulation in CHO cells expressing human beta-3 AR expressed as the negative logarithm of the molar drug concentration


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50422411
PNG
(CHEMBL154419)
Show SMILES C[C@H](CNc1ccc(CC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H23ClN2O3/c1-13(21-12-18(23)15-3-2-4-16(20)10-15)11-22-17-7-5-14(6-8-17)9-19(24)25/h2-8,10,13,18,21-23H,9,11-12H2,1H3,(H,24,25)/t13-,18+/m1/s1
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n/an/an/an/a 16n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to cause cAMP accumulation in CHO cells expressing human beta-3 AR expressed as the negative logarithm of the molar drug concentration


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50027814
PNG
(CHEMBL348269)
Show SMILES C[C@H](CNc1ccc(CCNS(=O)(=O)c2ccc(C)cc2)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C26H32ClN3O3S/c1-19-6-12-25(13-7-19)34(32,33)30-15-14-21-8-10-24(11-9-21)29-17-20(2)28-18-26(31)22-4-3-5-23(27)16-22/h3-13,16,20,26,28-31H,14-15,17-18H2,1-2H3/t20-,26+/m1/s1
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n/an/an/an/a 20n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to cause cAMP accumulation in CHO cells expressing human beta-1 AR expressed as the negative logarithm of the molar drug concentration


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%