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PubMed code 16640337

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-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50002595
PNG
(SOLABEGRON | Solabegron)
Show SMILES O[C@@H](CNCCNc1cccc(c1)-c1cccc(c1)C(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H23ClN2O3/c24-20-8-2-6-18(13-20)22(27)15-25-10-11-26-21-9-3-5-17(14-21)16-4-1-7-19(12-16)23(28)29/h1-9,12-14,22,25-27H,10-11,15H2,(H,28,29)/t22-/m0/s1
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398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human cloned beta-1 adrenergic receptor expressed in Sf9 cells


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50002595
PNG
(SOLABEGRON | Solabegron)
Show SMILES O[C@@H](CNCCNc1cccc(c1)-c1cccc(c1)C(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H23ClN2O3/c24-20-8-2-6-18(13-20)22(27)15-25-10-11-26-21-9-3-5-17(14-21)16-4-1-7-19(12-16)23(28)29/h1-9,12-14,22,25-27H,10-11,15H2,(H,28,29)/t22-/m0/s1
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1.59E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human cloned beta-2 adrenergic receptor expressed in Sf9 cells


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50002608
PNG
(CHEMBL207943)
Show SMILES O[C@@H](CNCCNc1cccc(c1)-c1cnccc1C(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C22H22ClN3O3/c23-17-5-1-4-16(11-17)21(27)14-25-9-10-26-18-6-2-3-15(12-18)20-13-24-8-7-19(20)22(28)29/h1-8,11-13,21,25-27H,9-10,14H2,(H,28,29)/t21-/m0/s1
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n/an/an/an/a<1.00E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity at human beta-2 adrenergic receptor expressed in CHO cells by stimulation of cAMP production


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
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
Activity at human beta-1 adrenergic receptor expressed in CHO cells by stimulation of cAMP production


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50002609
PNG
(CHEMBL208328)
Show SMILES C[C@H](CNc1cccc(c1)-c1ncccc1C(O)=O)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H24ClN3O3/c1-15(26-14-21(28)16-5-2-7-18(24)11-16)13-27-19-8-3-6-17(12-19)22-20(23(29)30)9-4-10-25-22/h2-12,15,21,26-28H,13-14H2,1H3,(H,29,30)/t15-,21+/m1/s1
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n/an/an/an/a 794n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity at human beta-1 adrenergic receptor expressed in CHO cells by stimulation of cAMP production


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50002609
PNG
(CHEMBL208328)
Show SMILES C[C@H](CNc1cccc(c1)-c1ncccc1C(O)=O)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H24ClN3O3/c1-15(26-14-21(28)16-5-2-7-18(24)11-16)13-27-19-8-3-6-17(12-19)22-20(23(29)30)9-4-10-25-22/h2-12,15,21,26-28H,13-14H2,1H3,(H,29,30)/t15-,21+/m1/s1
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n/an/an/an/a 1.59E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity at human beta-2 adrenergic receptor expressed in CHO cells by stimulation of cAMP production


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50002595
PNG
(SOLABEGRON | Solabegron)
Show SMILES O[C@@H](CNCCNc1cccc(c1)-c1cccc(c1)C(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H23ClN2O3/c24-20-8-2-6-18(13-20)22(27)15-25-10-11-26-21-9-3-5-17(14-21)16-4-1-7-19(12-16)23(28)29/h1-9,12-14,22,25-27H,10-11,15H2,(H,28,29)/t22-/m0/s1
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n/an/an/an/a 3.98E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity at human beta-1 adrenergic receptor expressed in CHO cells by stimulation of cAMP production


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
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
Activity at human beta-3 adrenergic receptor expressed in CHO cells by stimulation of cAMP production


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50002602
PNG
(CHEMBL205389)
Show SMILES O[C@@H](CNCCNc1cccc(c1)-c1cncc(c1)C(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C22H22ClN3O3/c23-19-5-1-4-16(10-19)21(27)14-24-7-8-26-20-6-2-3-15(11-20)17-9-18(22(28)29)13-25-12-17/h1-6,9-13,21,24,26-27H,7-8,14H2,(H,28,29)/t21-/m0/s1
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n/an/an/an/a 63n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity at human beta-3 adrenergic receptor expressed in CHO cells by stimulation of cAMP production


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50002605
PNG
(CHEMBL206002)
Show SMILES C[C@H](CNc1cccc(c1)-c1ccc(cc1C(O)=O)C(O)=O)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C25H25ClN2O5/c1-15(27-14-23(29)17-5-2-6-19(26)10-17)13-28-20-7-3-4-16(11-20)21-9-8-18(24(30)31)12-22(21)25(32)33/h2-12,15,23,27-29H,13-14H2,1H3,(H,30,31)(H,32,33)/t15-,23+/m1/s1
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n/an/an/an/a 0.200n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity at human beta-3 adrenergic receptor expressed in CHO cells by stimulation of cAMP production


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50002606
PNG
(CHEMBL204827)
Show SMILES Cc1ccc(cc1-c1cccc(NCCNC[C@H](O)c2cccc(Cl)c2)c1)C(O)=O
Show InChI InChI=1S/C24H25ClN2O3/c1-16-8-9-19(24(29)30)14-22(16)17-4-3-7-21(13-17)27-11-10-26-15-23(28)18-5-2-6-20(25)12-18/h2-9,12-14,23,26-28H,10-11,15H2,1H3,(H,29,30)/t23-/m0/s1
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n/an/an/an/a 631n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity at human beta-2 adrenergic receptor expressed in CHO cells by stimulation of cAMP production


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
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
Activity at human beta-1 adrenergic receptor expressed in CHO cells by stimulation of cAMP production


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50002605
PNG
(CHEMBL206002)
Show SMILES C[C@H](CNc1cccc(c1)-c1ccc(cc1C(O)=O)C(O)=O)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C25H25ClN2O5/c1-15(27-14-23(29)17-5-2-6-19(26)10-17)13-28-20-7-3-4-16(11-20)21-9-8-18(24(30)31)12-22(21)25(32)33/h2-12,15,23,27-29H,13-14H2,1H3,(H,30,31)(H,32,33)/t15-,23+/m1/s1
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n/an/an/an/a<1.00E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity at human beta-2 adrenergic receptor expressed in CHO cells by stimulation of cAMP production


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50002597
PNG
(CHEMBL377028)
Show SMILES C[C@H](CNc1cccc(c1)-c1ccccc1C(O)=O)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C24H25ClN2O3/c1-16(26-15-23(28)18-7-4-8-19(25)12-18)14-27-20-9-5-6-17(13-20)21-10-2-3-11-22(21)24(29)30/h2-13,16,23,26-28H,14-15H2,1H3,(H,29,30)/t16-,23+/m1/s1
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n/an/an/an/a 631n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity at human beta-1 adrenergic receptor expressed in CHO cells by stimulation of cAMP production


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50002596
PNG
(CHEMBL424866)
Show SMILES O[C@@H](CNCCNc1cccc(c1)-c1cccc(n1)C(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C22H22ClN3O3/c23-17-6-1-5-16(12-17)21(27)14-24-10-11-25-18-7-2-4-15(13-18)19-8-3-9-20(26-19)22(28)29/h1-9,12-13,21,24-25,27H,10-11,14H2,(H,28,29)/t21-/m0/s1
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n/an/an/an/a 5.01E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity at human beta-1 adrenergic receptor expressed in CHO cells by stimulation of cAMP production


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
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 at human beta-1 adrenergic receptor expressed in CHO cells by stimulation of cAMP production


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50002597
PNG
(CHEMBL377028)
Show SMILES C[C@H](CNc1cccc(c1)-c1ccccc1C(O)=O)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C24H25ClN2O3/c1-16(26-15-23(28)18-7-4-8-19(25)12-18)14-27-20-9-5-6-17(13-20)21-10-2-3-11-22(21)24(29)30/h2-13,16,23,26-28H,14-15H2,1H3,(H,29,30)/t16-,23+/m1/s1
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n/an/an/an/a 0.25n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity at human beta-3 adrenergic receptor expressed in CHO cells by stimulation of cAMP production


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50002595
PNG
(SOLABEGRON | Solabegron)
Show SMILES O[C@@H](CNCCNc1cccc(c1)-c1cccc(c1)C(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H23ClN2O3/c24-20-8-2-6-18(13-20)22(27)15-25-10-11-26-21-9-3-5-17(14-21)16-4-1-7-19(12-16)23(28)29/h1-9,12-14,22,25-27H,10-11,15H2,(H,28,29)/t22-/m0/s1
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n/an/an/an/a 1.26E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity at human beta-2 adrenergic receptor expressed in CHO cells by stimulation of cAMP production


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50002608
PNG
(CHEMBL207943)
Show SMILES O[C@@H](CNCCNc1cccc(c1)-c1cnccc1C(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C22H22ClN3O3/c23-17-5-1-4-16(11-17)21(27)14-25-9-10-26-18-6-2-3-15(12-18)20-13-24-8-7-19(20)22(28)29/h1-8,11-13,21,25-27H,9-10,14H2,(H,28,29)/t21-/m0/s1
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n/an/an/an/a 0.100n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity at human beta-3 adrenergic receptor expressed in CHO cells by stimulation of cAMP production


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50002596
PNG
(CHEMBL424866)
Show SMILES O[C@@H](CNCCNc1cccc(c1)-c1cccc(n1)C(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C22H22ClN3O3/c23-17-6-1-5-16(12-17)21(27)14-24-10-11-25-18-7-2-4-15(13-18)19-8-3-9-20(26-19)22(28)29/h1-9,12-13,21,24-25,27H,10-11,14H2,(H,28,29)/t21-/m0/s1
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n/an/an/an/a 40n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity at human beta-3 adrenergic receptor expressed in CHO cells by stimulation of cAMP production


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50002610
PNG
(CHEMBL208352)
Show SMILES COC(=O)c1cccc(c1)-c1cccc(NCCNC[C@H](O)c2cccc(Cl)c2)c1
Show InChI InChI=1S/C24H25ClN2O3/c1-30-24(29)20-8-2-5-17(13-20)18-6-4-10-22(15-18)27-12-11-26-16-23(28)19-7-3-9-21(25)14-19/h2-10,13-15,23,26-28H,11-12,16H2,1H3/t23-/m0/s1
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n/an/an/an/a 501n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity at human beta-2 adrenergic receptor expressed in CHO cells by stimulation of cAMP production


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50002599
PNG
(CHEMBL205224)
Show SMILES C[C@H](CNc1cccc(c1)-c1cccc(c1)C(O)=O)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C24H25ClN2O3/c1-16(26-15-23(28)19-7-3-9-21(25)12-19)14-27-22-10-4-6-18(13-22)17-5-2-8-20(11-17)24(29)30/h2-13,16,23,26-28H,14-15H2,1H3,(H,29,30)/t16-,23+/m1/s1
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n/an/an/an/a 6.30n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity at human beta-1 adrenergic receptor expressed in CHO cells by stimulation of cAMP production


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
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
Activity at human beta-2 adrenergic receptor expressed in CHO cells by stimulation of cAMP production


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50002609
PNG
(CHEMBL208328)
Show SMILES C[C@H](CNc1cccc(c1)-c1ncccc1C(O)=O)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H24ClN3O3/c1-15(26-14-21(28)16-5-2-7-18(24)11-16)13-27-19-8-3-6-17(12-19)22-20(23(29)30)9-4-10-25-22/h2-12,15,21,26-28H,13-14H2,1H3,(H,29,30)/t15-,21+/m1/s1
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n/an/an/an/a 32n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity at human beta-3 adrenergic receptor expressed in CHO cells by stimulation of cAMP production


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50002599
PNG
(CHEMBL205224)
Show SMILES C[C@H](CNc1cccc(c1)-c1cccc(c1)C(O)=O)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C24H25ClN2O3/c1-16(26-15-23(28)19-7-3-9-21(25)12-19)14-27-22-10-4-6-18(13-22)17-5-2-8-20(11-17)24(29)30/h2-13,16,23,26-28H,14-15H2,1H3,(H,29,30)/t16-,23+/m1/s1
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n/an/an/an/a 0.100n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity at human beta-3 adrenergic receptor expressed in CHO cells by stimulation of cAMP production


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50002601
PNG
(CHEMBL383511)
Show SMILES C[C@H](CNc1cccc(c1)-c1ccc(cc1)C(O)=O)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C24H25ClN2O3/c1-16(26-15-23(28)20-5-2-6-21(25)12-20)14-27-22-7-3-4-19(13-22)17-8-10-18(11-9-17)24(29)30/h2-13,16,23,26-28H,14-15H2,1H3,(H,29,30)/t16-,23+/m1/s1
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n/an/an/an/a 1.59E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity at human beta-2 adrenergic receptor expressed in CHO cells by stimulation of cAMP production


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50002601
PNG
(CHEMBL383511)
Show SMILES C[C@H](CNc1cccc(c1)-c1ccc(cc1)C(O)=O)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C24H25ClN2O3/c1-16(26-15-23(28)20-5-2-6-21(25)12-20)14-27-22-7-3-4-19(13-22)17-8-10-18(11-9-17)24(29)30/h2-13,16,23,26-28H,14-15H2,1H3,(H,29,30)/t16-,23+/m1/s1
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n/an/an/an/a 32n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity at human beta-3 adrenergic receptor expressed in CHO cells by stimulation of cAMP production


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50002602
PNG
(CHEMBL205389)
Show SMILES O[C@@H](CNCCNc1cccc(c1)-c1cncc(c1)C(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C22H22ClN3O3/c23-19-5-1-4-16(10-19)21(27)14-24-7-8-26-20-6-2-3-15(11-20)17-9-18(22(28)29)13-25-12-17/h1-6,9-13,21,24,26-27H,7-8,14H2,(H,28,29)/t21-/m0/s1
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n/an/an/an/a 3.98E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity at human beta-2 adrenergic receptor expressed in CHO cells by stimulation of cAMP production


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
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
Activity at human beta-3 adrenergic receptor expressed in CHO cells by stimulation of cAMP production


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
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 at human beta-3 adrenergic receptor expressed in CHO cells by stimulation of cAMP production


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50002597
PNG
(CHEMBL377028)
Show SMILES C[C@H](CNc1cccc(c1)-c1ccccc1C(O)=O)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C24H25ClN2O3/c1-16(26-15-23(28)18-7-4-8-19(25)12-18)14-27-20-9-5-6-17(13-20)21-10-2-3-11-22(21)24(29)30/h2-13,16,23,26-28H,14-15H2,1H3,(H,29,30)/t16-,23+/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 at human beta-2 adrenergic receptor expressed in CHO cells by stimulation of cAMP production


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50002601
PNG
(CHEMBL383511)
Show SMILES C[C@H](CNc1cccc(c1)-c1ccc(cc1)C(O)=O)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C24H25ClN2O3/c1-16(26-15-23(28)20-5-2-6-21(25)12-20)14-27-22-7-3-4-19(13-22)17-8-10-18(11-9-17)24(29)30/h2-13,16,23,26-28H,14-15H2,1H3,(H,29,30)/t16-,23+/m1/s1
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n/an/an/an/a 794n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity at human beta-1 adrenergic receptor expressed in CHO cells by stimulation of cAMP production


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
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
Activity at human beta-3 adrenergic receptor expressed in CHO cells by stimulation of cAMP production


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50002602
PNG
(CHEMBL205389)
Show SMILES O[C@@H](CNCCNc1cccc(c1)-c1cncc(c1)C(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C22H22ClN3O3/c23-19-5-1-4-16(10-19)21(27)14-24-7-8-26-20-6-2-3-15(11-20)17-9-18(22(28)29)13-25-12-17/h1-6,9-13,21,24,26-27H,7-8,14H2,(H,28,29)/t21-/m0/s1
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n/an/an/an/a 3.16E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity at human beta-1 adrenergic receptor expressed in CHO cells by stimulation of cAMP production


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50002610
PNG
(CHEMBL208352)
Show SMILES COC(=O)c1cccc(c1)-c1cccc(NCCNC[C@H](O)c2cccc(Cl)c2)c1
Show InChI InChI=1S/C24H25ClN2O3/c1-30-24(29)20-8-2-5-17(13-20)18-6-4-10-22(15-18)27-12-11-26-16-23(28)19-7-3-9-21(25)14-19/h2-10,13-15,23,26-28H,11-12,16H2,1H3/t23-/m0/s1
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n/an/an/an/a 1.26E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity at human beta-1 adrenergic receptor expressed in CHO cells by stimulation of cAMP production


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
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
Activity at human beta-2 adrenergic receptor expressed in CHO cells by stimulation of cAMP production


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50002606
PNG
(CHEMBL204827)
Show SMILES Cc1ccc(cc1-c1cccc(NCCNC[C@H](O)c2cccc(Cl)c2)c1)C(O)=O
Show InChI InChI=1S/C24H25ClN2O3/c1-16-8-9-19(24(29)30)14-22(16)17-4-3-7-21(13-17)27-11-10-26-15-23(28)18-5-2-6-20(25)12-18/h2-9,12-14,23,26-28H,10-11,15H2,1H3,(H,29,30)/t23-/m0/s1
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n/an/an/an/a 1.60n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity at human beta-3 adrenergic receptor expressed in CHO cells by stimulation of cAMP production


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50002608
PNG
(CHEMBL207943)
Show SMILES O[C@@H](CNCCNc1cccc(c1)-c1cnccc1C(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C22H22ClN3O3/c23-17-5-1-4-16(11-17)21(27)14-25-9-10-26-18-6-2-3-15(12-18)20-13-24-8-7-19(20)22(28)29/h1-8,11-13,21,25-27H,9-10,14H2,(H,28,29)/t21-/m0/s1
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n/an/an/an/a 1.00E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity at human beta-1 adrenergic receptor expressed in CHO cells by stimulation of cAMP production


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
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
Activity at human beta-2 adrenergic receptor expressed in CHO cells by stimulation of cAMP production


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
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 at human beta-2 adrenergic receptor expressed in CHO cells by stimulation of cAMP production


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50002596
PNG
(CHEMBL424866)
Show SMILES O[C@@H](CNCCNc1cccc(c1)-c1cccc(n1)C(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C22H22ClN3O3/c23-17-6-1-5-16(12-17)21(27)14-24-10-11-25-18-7-2-4-15(13-18)19-8-3-9-20(26-19)22(28)29/h1-9,12-13,21,24-25,27H,10-11,14H2,(H,28,29)/t21-/m0/s1
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n/an/an/an/a 1.00E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity at human beta-2 adrenergic receptor expressed in CHO cells by stimulation of cAMP production


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
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
Activity at human beta-1 adrenergic receptor expressed in CHO cells by stimulation of cAMP production


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50002606
PNG
(CHEMBL204827)
Show SMILES Cc1ccc(cc1-c1cccc(NCCNC[C@H](O)c2cccc(Cl)c2)c1)C(O)=O
Show InChI InChI=1S/C24H25ClN2O3/c1-16-8-9-19(24(29)30)14-22(16)17-4-3-7-21(13-17)27-11-10-26-15-23(28)18-5-2-6-20(25)12-18/h2-9,12-14,23,26-28H,10-11,15H2,1H3,(H,29,30)/t23-/m0/s1
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n/an/an/an/a 794n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity at human beta-1 adrenergic receptor expressed in CHO cells by stimulation of cAMP production


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50002610
PNG
(CHEMBL208352)
Show SMILES COC(=O)c1cccc(c1)-c1cccc(NCCNC[C@H](O)c2cccc(Cl)c2)c1
Show InChI InChI=1S/C24H25ClN2O3/c1-30-24(29)20-8-2-5-17(13-20)18-6-4-10-22(15-18)27-12-11-26-16-23(28)19-7-3-9-21(25)14-19/h2-10,13-15,23,26-28H,11-12,16H2,1H3/t23-/m0/s1
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n/an/an/an/a 158n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity at human beta-3 adrenergic receptor expressed in CHO cells by stimulation of cAMP production


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50002605
PNG
(CHEMBL206002)
Show SMILES C[C@H](CNc1cccc(c1)-c1ccc(cc1C(O)=O)C(O)=O)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C25H25ClN2O5/c1-15(27-14-23(29)17-5-2-6-19(26)10-17)13-28-20-7-3-4-16(11-20)21-9-8-18(24(30)31)12-22(21)25(32)33/h2-12,15,23,27-29H,13-14H2,1H3,(H,30,31)(H,32,33)/t15-,23+/m1/s1
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n/an/an/an/a 2.51E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity at human beta-1 adrenergic receptor expressed in CHO cells by stimulation of cAMP production


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50002595
PNG
(SOLABEGRON | Solabegron)
Show SMILES O[C@@H](CNCCNc1cccc(c1)-c1cccc(c1)C(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H23ClN2O3/c24-20-8-2-6-18(13-20)22(27)15-25-10-11-26-21-9-3-5-17(14-21)16-4-1-7-19(12-16)23(28)29/h1-9,12-14,22,25-27H,10-11,15H2,(H,28,29)/t22-/m0/s1
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n/an/an/an/a 4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity at human beta-3 adrenergic receptor expressed in CHO cells by stimulation of cAMP production


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50002599
PNG
(CHEMBL205224)
Show SMILES C[C@H](CNc1cccc(c1)-c1cccc(c1)C(O)=O)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C24H25ClN2O3/c1-16(26-15-23(28)19-7-3-9-21(25)12-19)14-27-22-10-4-6-18(13-22)17-5-2-8-20(11-17)24(29)30/h2-13,16,23,26-28H,14-15H2,1H3,(H,29,30)/t16-,23+/m1/s1
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n/an/an/an/a 50n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity at human beta-2 adrenergic receptor expressed in CHO cells by stimulation of cAMP production


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%