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Compile Data Set for Download or QSAR

Found 41 hits Enz. Inhib. hit(s) with all data for entry = 50031090   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50306802
PNG
(CHEMBL600617 | rac-6-hydroxy-8-(1-hydroxy-2-(2-met...)
Show SMILES CC(C)(Cc1ccccc1C(F)(F)F)NCC(O)c1cc(O)cc2NC(=O)COc12
Show InChI InChI=1S/C21H23F3N2O4/c1-20(2,9-12-5-3-4-6-15(12)21(22,23)24)25-10-17(28)14-7-13(27)8-16-19(14)30-11-18(29)26-16/h3-8,17,25,27-28H,9-11H2,1-2H3,(H,26,29)
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n/an/an/an/a 1.40n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta2 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 20: 1410-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.087
BindingDB Entry DOI: 10.7270/Q2VX0GMJ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50306812
PNG
(CHEMBL605372 | rac-6-hydroxy-8-(1-hydroxy-2-(1-(4-...)
Show SMILES CC(C)c1ccc(CC(C)(C)NCC(O)c2cc(O)cc3NC(=O)COc23)cc1
Show InChI InChI=1S/C23H30N2O4/c1-14(2)16-7-5-15(6-8-16)11-23(3,4)24-12-20(27)18-9-17(26)10-19-22(18)29-13-21(28)25-19/h5-10,14,20,24,26-27H,11-13H2,1-4H3,(H,25,28)
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n/an/an/an/a 207n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-1 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 20: 1410-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.087
BindingDB Entry DOI: 10.7270/Q2VX0GMJ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50306800
PNG
((S)-6-hydroxy-8-(1-hydroxy-2-(1-(4-methoxyphenyl)-...)
Show SMILES COc1ccc(CC(C)(C)NC[C@@H](O)c2cc(O)cc3NC(=O)COc23)cc1 |r|
Show InChI InChI=1S/C21H26N2O5/c1-21(2,10-13-4-6-15(27-3)7-5-13)22-11-18(25)16-8-14(24)9-17-20(16)28-12-19(26)23-17/h4-9,18,22,24-25H,10-12H2,1-3H3,(H,23,26)/t18-/m1/s1
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n/an/an/an/a 1.40n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta2 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 20: 1410-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.087
BindingDB Entry DOI: 10.7270/Q2VX0GMJ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM86453
PNG
(CAS_73573-87-2 | Formoterol | NSC_3083544)
Show SMILES COc1ccc(CC(C)NCC(O)c2ccc(O)c(NC=O)c2)cc1
Show InChI InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)
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n/an/an/an/a 86n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-1 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 20: 1410-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.087
BindingDB Entry DOI: 10.7270/Q2VX0GMJ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM86453
PNG
(CAS_73573-87-2 | Formoterol | NSC_3083544)
Show SMILES COc1ccc(CC(C)NCC(O)c2ccc(O)c(NC=O)c2)cc1
Show InChI InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)
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n/an/an/an/a 0.400n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta2 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 20: 1410-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.087
BindingDB Entry DOI: 10.7270/Q2VX0GMJ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50299896
PNG
(3-(2-(2-hydroxy-2-(5-hydroxy-3-oxo-3,4-dihydro-2H-...)
Show SMILES CC(C)(Cc1cccc(c1)C(O)=O)NCC(O)c1ccc(O)c2NC(=O)COc12
Show InChI InChI=1S/C21H24N2O6/c1-21(2,9-12-4-3-5-13(8-12)20(27)28)22-10-16(25)14-6-7-15(24)18-19(14)29-11-17(26)23-18/h3-8,16,22,24-25H,9-11H2,1-2H3,(H,23,26)(H,27,28)
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n/an/an/an/a 2.90n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta2 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 20: 1410-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.087
BindingDB Entry DOI: 10.7270/Q2VX0GMJ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50306806
PNG
(CHEMBL600400 | rac-6-hydroxy-8-(1-hydroxy-2-(2-met...)
Show SMILES CC(C)(Cc1ccc(OC(F)(F)F)cc1)NCC(O)c1cc(O)cc2NC(=O)COc12
Show InChI InChI=1S/C21H23F3N2O5/c1-20(2,9-12-3-5-14(6-4-12)31-21(22,23)24)25-10-17(28)15-7-13(27)8-16-19(15)30-11-18(29)26-16/h3-8,17,25,27-28H,9-11H2,1-2H3,(H,26,29)
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n/an/an/an/a 12n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta2 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 20: 1410-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.087
BindingDB Entry DOI: 10.7270/Q2VX0GMJ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50306805
PNG
(CHEMBL600401 | rac-8-(2-(1-(4-fluorophenyl)-2-meth...)
Show SMILES CC(C)(Cc1ccc(F)cc1)NCC(O)c1cc(O)cc2NC(=O)COc12
Show InChI InChI=1S/C20H23FN2O4/c1-20(2,9-12-3-5-13(21)6-4-12)22-10-17(25)15-7-14(24)8-16-19(15)27-11-18(26)23-16/h3-8,17,22,24-25H,9-11H2,1-2H3,(H,23,26)
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n/an/an/an/a 3.40n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta2 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 20: 1410-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.087
BindingDB Entry DOI: 10.7270/Q2VX0GMJ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50306804
PNG
(CHEMBL603274 | rac-8-(2-(1-(4-chlorophenyl)-2-meth...)
Show SMILES CC(C)(Cc1ccc(Cl)cc1)NCC(O)c1cc(O)cc2NC(=O)COc12
Show InChI InChI=1S/C20H23ClN2O4/c1-20(2,9-12-3-5-13(21)6-4-12)22-10-17(25)15-7-14(24)8-16-19(15)27-11-18(26)23-16/h3-8,17,22,24-25H,9-11H2,1-2H3,(H,23,26)
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n/an/an/an/a 1.30n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta2 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 20: 1410-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.087
BindingDB Entry DOI: 10.7270/Q2VX0GMJ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50306808
PNG
(CHEMBL601430 | rac-6-hydroxy-8-(1-hydroxy-2-(2-met...)
Show SMILES CC(C)(Cc1ccc(cc1)C(F)(F)F)NCC(O)c1cc(O)cc2NC(=O)COc12
Show InChI InChI=1S/C21H23F3N2O4/c1-20(2,9-12-3-5-13(6-4-12)21(22,23)24)25-10-17(28)15-7-14(27)8-16-19(15)30-11-18(29)26-16/h3-8,17,25,27-28H,9-11H2,1-2H3,(H,26,29)
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n/an/an/an/a 12n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta2 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 20: 1410-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.087
BindingDB Entry DOI: 10.7270/Q2VX0GMJ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50306807
PNG
(CHEMBL604333 | rac-6-hydroxy-8-(1-hydroxy-2-(2-met...)
Show SMILES CC(C)(Cc1cccc(c1)C(F)(F)F)NCC(O)c1cc(O)cc2NC(=O)COc12
Show InChI InChI=1S/C21H23F3N2O4/c1-20(2,9-12-4-3-5-13(6-12)21(22,23)24)25-10-17(28)15-7-14(27)8-16-19(15)30-11-18(29)26-16/h3-8,17,25,27-28H,9-11H2,1-2H3,(H,26,29)
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n/an/an/an/a 3.40n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta2 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 20: 1410-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.087
BindingDB Entry DOI: 10.7270/Q2VX0GMJ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50306809
PNG
(CHEMBL601429 | rac-8-(2-(1-(3,5-difluorophenyl)-2-...)
Show SMILES CC(C)(Cc1cc(F)cc(F)c1)NCC(O)c1cc(O)cc2NC(=O)COc12
Show InChI InChI=1S/C20H22F2N2O4/c1-20(2,8-11-3-12(21)5-13(22)4-11)23-9-17(26)15-6-14(25)7-16-19(15)28-10-18(27)24-16/h3-7,17,23,25-26H,8-10H2,1-2H3,(H,24,27)
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n/an/an/an/a 12n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta2 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 20: 1410-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.087
BindingDB Entry DOI: 10.7270/Q2VX0GMJ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50306800
PNG
((S)-6-hydroxy-8-(1-hydroxy-2-(1-(4-methoxyphenyl)-...)
Show SMILES COc1ccc(CC(C)(C)NC[C@@H](O)c2cc(O)cc3NC(=O)COc23)cc1 |r|
Show InChI InChI=1S/C21H26N2O5/c1-21(2,10-13-4-6-15(27-3)7-5-13)22-11-18(25)16-8-14(24)9-17-20(16)28-12-19(26)23-17/h4-9,18,22,24-25H,10-12H2,1-3H3,(H,23,26)/t18-/m1/s1
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n/an/an/an/a 2.73E+3n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-1 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 20: 1410-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.087
BindingDB Entry DOI: 10.7270/Q2VX0GMJ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50306798
PNG
(CHEMBL604125 | rac-6-hydroxy-8-(1-hydroxy-2-(1-(3-...)
Show SMILES COc1cccc(CC(C)(C)NCC(O)c2cc(O)cc3NC(=O)COc23)c1
Show InChI InChI=1S/C21H26N2O5/c1-21(2,10-13-5-4-6-15(7-13)27-3)22-11-18(25)16-8-14(24)9-17-20(16)28-12-19(26)23-17/h4-9,18,22,24-25H,10-12H2,1-3H3,(H,23,26)
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n/an/an/an/a 14n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta2 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 20: 1410-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.087
BindingDB Entry DOI: 10.7270/Q2VX0GMJ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50306800
PNG
((S)-6-hydroxy-8-(1-hydroxy-2-(1-(4-methoxyphenyl)-...)
Show SMILES COc1ccc(CC(C)(C)NC[C@@H](O)c2cc(O)cc3NC(=O)COc23)cc1 |r|
Show InChI InChI=1S/C21H26N2O5/c1-21(2,10-13-4-6-15(27-3)7-5-13)22-11-18(25)16-8-14(24)9-17-20(16)28-12-19(26)23-17/h4-9,18,22,24-25H,10-12H2,1-3H3,(H,23,26)/t18-/m1/s1
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n/an/an/an/a 98n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta2 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 20: 1410-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.087
BindingDB Entry DOI: 10.7270/Q2VX0GMJ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50306815
PNG
(CHEMBL592879 | rac-6-hydroxy-8-(1-hydroxy-2-(2-met...)
Show SMILES CC(C)(Cc1ccccc1)NCC(O)c1cc(O)cc2NC(=O)COc12
Show InChI InChI=1S/C20H24N2O4/c1-20(2,10-13-6-4-3-5-7-13)21-11-17(24)15-8-14(23)9-16-19(15)26-12-18(25)22-16/h3-9,17,21,23-24H,10-12H2,1-2H3,(H,22,25)
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n/an/an/an/a 2.40n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta2 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 20: 1410-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.087
BindingDB Entry DOI: 10.7270/Q2VX0GMJ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50306814
PNG
(CHEMBL601036 | rac-6-hydroxy-8-(1-hydroxy-2-(2-met...)
Show SMILES Cc1ccccc1CC(C)(C)NCC(O)c1cc(O)cc2NC(=O)COc12
Show InChI InChI=1S/C21H26N2O4/c1-13-6-4-5-7-14(13)10-21(2,3)22-11-18(25)16-8-15(24)9-17-20(16)27-12-19(26)23-17/h4-9,18,22,24-25H,10-12H2,1-3H3,(H,23,26)
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n/an/an/an/a 0.700n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta2 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 20: 1410-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.087
BindingDB Entry DOI: 10.7270/Q2VX0GMJ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50306811
PNG
(CHEMBL606208 | rac-8-(2-(1-(4-tert-butylphenyl)-2-...)
Show SMILES CC(C)(Cc1ccc(cc1)C(C)(C)C)NCC(O)c1cc(O)cc2NC(=O)COc12
Show InChI InChI=1S/C24H32N2O4/c1-23(2,3)16-8-6-15(7-9-16)12-24(4,5)25-13-20(28)18-10-17(27)11-19-22(18)30-14-21(29)26-19/h6-11,20,25,27-28H,12-14H2,1-5H3,(H,26,29)
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n/an/an/an/a 5.17E+3n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta2 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 20: 1410-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.087
BindingDB Entry DOI: 10.7270/Q2VX0GMJ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50306810
PNG
(CHEMBL601858 | rac-8-(2-(1-(biphenyl-4-yl)-2-methy...)
Show SMILES CC(C)(Cc1ccc(cc1)-c1ccccc1)NCC(O)c1cc(O)cc2NC(=O)COc12
Show InChI InChI=1S/C26H28N2O4/c1-26(2,14-17-8-10-19(11-9-17)18-6-4-3-5-7-18)27-15-23(30)21-12-20(29)13-22-25(21)32-16-24(31)28-22/h3-13,23,27,29-30H,14-16H2,1-2H3,(H,28,31)
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n/an/an/an/a 68n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta2 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 20: 1410-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.087
BindingDB Entry DOI: 10.7270/Q2VX0GMJ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50306801
PNG
(CHEMBL602258 | rac-8-(2-(1-(4-ethylphenyl)-2-methy...)
Show SMILES CCc1ccc(CC(C)(C)NCC(O)c2cc(O)cc3NC(=O)COc23)cc1
Show InChI InChI=1S/C22H28N2O4/c1-4-14-5-7-15(8-6-14)11-22(2,3)23-12-19(26)17-9-16(25)10-18-21(17)28-13-20(27)24-18/h5-10,19,23,25-26H,4,11-13H2,1-3H3,(H,24,27)
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n/an/an/an/a 50n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta2 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 20: 1410-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.087
BindingDB Entry DOI: 10.7270/Q2VX0GMJ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50306812
PNG
(CHEMBL605372 | rac-6-hydroxy-8-(1-hydroxy-2-(1-(4-...)
Show SMILES CC(C)c1ccc(CC(C)(C)NCC(O)c2cc(O)cc3NC(=O)COc23)cc1
Show InChI InChI=1S/C23H30N2O4/c1-14(2)16-7-5-15(6-8-16)11-23(3,4)24-12-20(27)18-9-17(26)10-19-22(18)29-13-21(28)25-19/h5-10,14,20,24,26-27H,11-13H2,1-4H3,(H,25,28)
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n/an/an/an/a 58n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta2 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 20: 1410-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.087
BindingDB Entry DOI: 10.7270/Q2VX0GMJ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50306803
PNG
(CHEMBL600616 | rac-8-(2-(1-(4-bromophenyl)-2-methy...)
Show SMILES CC(C)(Cc1ccc(Br)cc1)NCC(O)c1cc(O)cc2NC(=O)COc12
Show InChI InChI=1S/C20H23BrN2O4/c1-20(2,9-12-3-5-13(21)6-4-12)22-10-17(25)15-7-14(24)8-16-19(15)27-11-18(26)23-16/h3-8,17,22,24-25H,9-11H2,1-2H3,(H,23,26)
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n/an/an/an/a 11n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta2 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 20: 1410-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.087
BindingDB Entry DOI: 10.7270/Q2VX0GMJ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50306813
PNG
(CHEMBL602257 | rac-6-hydroxy-8-(1-hydroxy-2-(2-met...)
Show SMILES Cc1cccc(CC(C)(C)NCC(O)c2cc(O)cc3NC(=O)COc23)c1
Show InChI InChI=1S/C21H26N2O4/c1-13-5-4-6-14(7-13)10-21(2,3)22-11-18(25)16-8-15(24)9-17-20(16)27-12-19(26)23-17/h4-9,18,22,24-25H,10-12H2,1-3H3,(H,23,26)
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n/an/an/an/a 4.10n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta2 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 20: 1410-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.087
BindingDB Entry DOI: 10.7270/Q2VX0GMJ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50306801
PNG
(CHEMBL602258 | rac-8-(2-(1-(4-ethylphenyl)-2-methy...)
Show SMILES CCc1ccc(CC(C)(C)NCC(O)c2cc(O)cc3NC(=O)COc23)cc1
Show InChI InChI=1S/C22H28N2O4/c1-4-14-5-7-15(8-6-14)11-22(2,3)23-12-19(26)17-9-16(25)10-18-21(17)28-13-20(27)24-18/h5-10,19,23,25-26H,4,11-13H2,1-3H3,(H,24,27)
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n/an/an/an/a 215n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-1 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 20: 1410-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.087
BindingDB Entry DOI: 10.7270/Q2VX0GMJ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50306798
PNG
(CHEMBL604125 | rac-6-hydroxy-8-(1-hydroxy-2-(1-(3-...)
Show SMILES COc1cccc(CC(C)(C)NCC(O)c2cc(O)cc3NC(=O)COc23)c1
Show InChI InChI=1S/C21H26N2O5/c1-21(2,10-13-5-4-6-15(7-13)27-3)22-11-18(25)16-8-14(24)9-17-20(16)28-12-19(26)23-17/h4-9,18,22,24-25H,10-12H2,1-3H3,(H,23,26)
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n/an/an/an/a 278n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-1 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 20: 1410-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.087
BindingDB Entry DOI: 10.7270/Q2VX0GMJ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50306799
PNG
(CHEMBL600007 | rac-8-(2-(1-(4-ethoxyphenyl)-2-meth...)
Show SMILES CCOc1ccc(CC(C)(C)NCC(O)c2cc(O)cc3NC(=O)COc23)cc1
Show InChI InChI=1S/C22H28N2O5/c1-4-28-16-7-5-14(6-8-16)11-22(2,3)23-12-19(26)17-9-15(25)10-18-21(17)29-13-20(27)24-18/h5-10,19,23,25-26H,4,11-13H2,1-3H3,(H,24,27)
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n/an/an/an/a 200n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-1 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 20: 1410-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.087
BindingDB Entry DOI: 10.7270/Q2VX0GMJ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50306800
PNG
((S)-6-hydroxy-8-(1-hydroxy-2-(1-(4-methoxyphenyl)-...)
Show SMILES COc1ccc(CC(C)(C)NC[C@@H](O)c2cc(O)cc3NC(=O)COc23)cc1 |r|
Show InChI InChI=1S/C21H26N2O5/c1-21(2,10-13-4-6-15(27-3)7-5-13)22-11-18(25)16-8-14(24)9-17-20(16)28-12-19(26)23-17/h4-9,18,22,24-25H,10-12H2,1-3H3,(H,23,26)/t18-/m1/s1
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n/an/an/an/a 358n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-1 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 20: 1410-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.087
BindingDB Entry DOI: 10.7270/Q2VX0GMJ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50306802
PNG
(CHEMBL600617 | rac-6-hydroxy-8-(1-hydroxy-2-(2-met...)
Show SMILES CC(C)(Cc1ccccc1C(F)(F)F)NCC(O)c1cc(O)cc2NC(=O)COc12
Show InChI InChI=1S/C21H23F3N2O4/c1-20(2,9-12-5-3-4-6-15(12)21(22,23)24)25-10-17(28)14-7-13(27)8-16-19(14)30-11-18(29)26-16/h3-8,17,25,27-28H,9-11H2,1-2H3,(H,26,29)
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n/an/an/an/a 27n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-1 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 20: 1410-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.087
BindingDB Entry DOI: 10.7270/Q2VX0GMJ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50306803
PNG
(CHEMBL600616 | rac-8-(2-(1-(4-bromophenyl)-2-methy...)
Show SMILES CC(C)(Cc1ccc(Br)cc1)NCC(O)c1cc(O)cc2NC(=O)COc12
Show InChI InChI=1S/C20H23BrN2O4/c1-20(2,9-12-3-5-13(21)6-4-12)22-10-17(25)15-7-14(24)8-16-19(15)27-11-18(26)23-16/h3-8,17,22,24-25H,9-11H2,1-2H3,(H,23,26)
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n/an/an/an/a 103n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-1 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 20: 1410-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.087
BindingDB Entry DOI: 10.7270/Q2VX0GMJ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50306804
PNG
(CHEMBL603274 | rac-8-(2-(1-(4-chlorophenyl)-2-meth...)
Show SMILES CC(C)(Cc1ccc(Cl)cc1)NCC(O)c1cc(O)cc2NC(=O)COc12
Show InChI InChI=1S/C20H23ClN2O4/c1-20(2,9-12-3-5-13(21)6-4-12)22-10-17(25)15-7-14(24)8-16-19(15)27-11-18(26)23-16/h3-8,17,22,24-25H,9-11H2,1-2H3,(H,23,26)
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n/an/an/an/a 171n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-1 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 20: 1410-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.087
BindingDB Entry DOI: 10.7270/Q2VX0GMJ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50306805
PNG
(CHEMBL600401 | rac-8-(2-(1-(4-fluorophenyl)-2-meth...)
Show SMILES CC(C)(Cc1ccc(F)cc1)NCC(O)c1cc(O)cc2NC(=O)COc12
Show InChI InChI=1S/C20H23FN2O4/c1-20(2,9-12-3-5-13(21)6-4-12)22-10-17(25)15-7-14(24)8-16-19(15)27-11-18(26)23-16/h3-8,17,22,24-25H,9-11H2,1-2H3,(H,23,26)
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n/an/an/an/a 101n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-1 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 20: 1410-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.087
BindingDB Entry DOI: 10.7270/Q2VX0GMJ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50306806
PNG
(CHEMBL600400 | rac-6-hydroxy-8-(1-hydroxy-2-(2-met...)
Show SMILES CC(C)(Cc1ccc(OC(F)(F)F)cc1)NCC(O)c1cc(O)cc2NC(=O)COc12
Show InChI InChI=1S/C21H23F3N2O5/c1-20(2,9-12-3-5-14(6-4-12)31-21(22,23)24)25-10-17(28)15-7-13(27)8-16-19(15)30-11-18(29)26-16/h3-8,17,25,27-28H,9-11H2,1-2H3,(H,26,29)
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n/an/an/an/a 240n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-1 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 20: 1410-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.087
BindingDB Entry DOI: 10.7270/Q2VX0GMJ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50306807
PNG
(CHEMBL604333 | rac-6-hydroxy-8-(1-hydroxy-2-(2-met...)
Show SMILES CC(C)(Cc1cccc(c1)C(F)(F)F)NCC(O)c1cc(O)cc2NC(=O)COc12
Show InChI InChI=1S/C21H23F3N2O4/c1-20(2,9-12-4-3-5-13(6-12)21(22,23)24)25-10-17(28)15-7-14(27)8-16-19(15)30-11-18(29)26-16/h3-8,17,25,27-28H,9-11H2,1-2H3,(H,26,29)
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n/an/an/an/a 437n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-1 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 20: 1410-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.087
BindingDB Entry DOI: 10.7270/Q2VX0GMJ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50306808
PNG
(CHEMBL601430 | rac-6-hydroxy-8-(1-hydroxy-2-(2-met...)
Show SMILES CC(C)(Cc1ccc(cc1)C(F)(F)F)NCC(O)c1cc(O)cc2NC(=O)COc12
Show InChI InChI=1S/C21H23F3N2O4/c1-20(2,9-12-3-5-13(6-4-12)21(22,23)24)25-10-17(28)15-7-14(27)8-16-19(15)30-11-18(29)26-16/h3-8,17,25,27-28H,9-11H2,1-2H3,(H,26,29)
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n/an/an/an/a 712n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-1 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 20: 1410-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.087
BindingDB Entry DOI: 10.7270/Q2VX0GMJ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50306809
PNG
(CHEMBL601429 | rac-8-(2-(1-(3,5-difluorophenyl)-2-...)
Show SMILES CC(C)(Cc1cc(F)cc(F)c1)NCC(O)c1cc(O)cc2NC(=O)COc12
Show InChI InChI=1S/C20H22F2N2O4/c1-20(2,8-11-3-12(21)5-13(22)4-11)23-9-17(26)15-6-14(25)7-16-19(15)28-10-18(27)24-16/h3-7,17,23,25-26H,8-10H2,1-2H3,(H,24,27)
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n/an/an/an/a>1.00E+3n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-1 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 20: 1410-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.087
BindingDB Entry DOI: 10.7270/Q2VX0GMJ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50306810
PNG
(CHEMBL601858 | rac-8-(2-(1-(biphenyl-4-yl)-2-methy...)
Show SMILES CC(C)(Cc1ccc(cc1)-c1ccccc1)NCC(O)c1cc(O)cc2NC(=O)COc12
Show InChI InChI=1S/C26H28N2O4/c1-26(2,14-17-8-10-19(11-9-17)18-6-4-3-5-7-18)27-15-23(30)21-12-20(29)13-22-25(21)32-16-24(31)28-22/h3-13,23,27,29-30H,14-16H2,1-2H3,(H,28,31)
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n/an/an/an/a 207n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-1 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 20: 1410-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.087
BindingDB Entry DOI: 10.7270/Q2VX0GMJ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50306811
PNG
(CHEMBL606208 | rac-8-(2-(1-(4-tert-butylphenyl)-2-...)
Show SMILES CC(C)(Cc1ccc(cc1)C(C)(C)C)NCC(O)c1cc(O)cc2NC(=O)COc12
Show InChI InChI=1S/C24H32N2O4/c1-23(2,3)16-8-6-15(7-9-16)12-24(4,5)25-13-20(28)18-10-17(27)11-19-22(18)30-14-21(29)26-19/h6-11,20,25,27-28H,12-14H2,1-5H3,(H,26,29)
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n/an/an/an/a 990n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-1 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 20: 1410-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.087
BindingDB Entry DOI: 10.7270/Q2VX0GMJ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50306814
PNG
(CHEMBL601036 | rac-6-hydroxy-8-(1-hydroxy-2-(2-met...)
Show SMILES Cc1ccccc1CC(C)(C)NCC(O)c1cc(O)cc2NC(=O)COc12
Show InChI InChI=1S/C21H26N2O4/c1-13-6-4-5-7-14(13)10-21(2,3)22-11-18(25)16-8-15(24)9-17-20(16)27-12-19(26)23-17/h4-9,18,22,24-25H,10-12H2,1-3H3,(H,23,26)
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n/an/an/an/a 4.5n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-1 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 20: 1410-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.087
BindingDB Entry DOI: 10.7270/Q2VX0GMJ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50306815
PNG
(CHEMBL592879 | rac-6-hydroxy-8-(1-hydroxy-2-(2-met...)
Show SMILES CC(C)(Cc1ccccc1)NCC(O)c1cc(O)cc2NC(=O)COc12
Show InChI InChI=1S/C20H24N2O4/c1-20(2,10-13-6-4-3-5-7-13)21-11-17(24)15-8-14(23)9-16-19(15)26-12-18(25)22-16/h3-9,17,21,23-24H,10-12H2,1-2H3,(H,22,25)
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n/an/an/an/a 35n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-1 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 20: 1410-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.087
BindingDB Entry DOI: 10.7270/Q2VX0GMJ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50306813
PNG
(CHEMBL602257 | rac-6-hydroxy-8-(1-hydroxy-2-(2-met...)
Show SMILES Cc1cccc(CC(C)(C)NCC(O)c2cc(O)cc3NC(=O)COc23)c1
Show InChI InChI=1S/C21H26N2O4/c1-13-5-4-6-14(7-13)10-21(2,3)22-11-18(25)16-8-15(24)9-17-20(16)27-12-19(26)23-17/h4-9,18,22,24-25H,10-12H2,1-3H3,(H,23,26)
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n/an/an/an/a 42n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-1 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 20: 1410-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.087
BindingDB Entry DOI: 10.7270/Q2VX0GMJ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50306799
PNG
(CHEMBL600007 | rac-8-(2-(1-(4-ethoxyphenyl)-2-meth...)
Show SMILES CCOc1ccc(CC(C)(C)NCC(O)c2cc(O)cc3NC(=O)COc23)cc1
Show InChI InChI=1S/C22H28N2O5/c1-4-28-16-7-5-14(6-8-16)11-22(2,3)23-12-19(26)17-9-15(25)10-18-21(17)29-13-20(27)24-18/h5-10,19,23,25-26H,4,11-13H2,1-3H3,(H,24,27)
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n/an/an/an/a 15n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta2 receptor expressed in CHO cells assessed as cAMP accumulation

Bioorg Med Chem Lett 20: 1410-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.087
BindingDB Entry DOI: 10.7270/Q2VX0GMJ
More data for this
Ligand-Target Pair