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PubMed code 20036561

Compile data set for download or QSAR
Found 39 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


(Homo sapiens (Human))		BDBM25771
PNG
(1-hydroxy-2-naphthoic acid;4-[1-hydroxy-2-[6-(4-ph...)
Show SMILES OCc1cc(ccc1O)C(O)CNCCCCCCOCCCCc1ccccc1
Show InChI InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2
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PubMed
 1.5n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [125I]-CYP from human beta2-adrenergic receptor expressed in COS-7 cells by gamma counting

Bioorg Med Chem 18: 728-36 (2010)


Article DOI: 10.1016/j.bmc.2009.11.062
BindingDB Entry DOI: 10.7270/Q2R78FJF
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50348432
PNG
(CHEMBL1800935)
Show SMILES OCc1cc(ccc1O)C(O)CNCCCCCCCCCCCc1ccccc1
Show InChI InChI=1S/C26H39NO3/c28-21-24-19-23(16-17-25(24)29)26(30)20-27-18-12-7-5-3-1-2-4-6-9-13-22-14-10-8-11-15-22/h8,10-11,14-17,19,26-30H,1-7,9,12-13,18,20-21H2
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 220n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [125I]-CYP from human beta2-adrenergic receptor expressed in COS-7 cells by gamma counting

Bioorg Med Chem 18: 728-36 (2010)


Article DOI: 10.1016/j.bmc.2009.11.062
BindingDB Entry DOI: 10.7270/Q2R78FJF
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50348430
PNG
(CHEMBL1800963 | US9492405, 44)
Show SMILES COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)c2ccccc12 |r|
Show InChI InChI=1S/C22H25NO4/c1-14(23-13-21(26)16-10-17(24)12-18(25)11-16)9-15-7-8-22(27-2)20-6-4-3-5-19(15)20/h3-8,10-12,14,21,23-26H,9,13H2,1-2H3/t14-,21+/m1/s1
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 280n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP-12177 from human beta2-adrenergic receptor expressed in HEK 293 cells

Bioorg Med Chem 18: 728-36 (2010)


Article DOI: 10.1016/j.bmc.2009.11.062
BindingDB Entry DOI: 10.7270/Q2R78FJF
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50348431
PNG
(CHEMBL1800934 | US9492405, 45)
Show SMILES COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)c2ccccc12 |r|
Show InChI InChI=1S/C22H25NO4/c1-14(23-13-21(26)16-10-17(24)12-18(25)11-16)9-15-7-8-22(27-2)20-6-4-3-5-19(15)20/h3-8,10-12,14,21,23-26H,9,13H2,1-2H3/t14-,21-/m0/s1
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 320n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP-12177 from human beta2-adrenergic receptor expressed in HEK 293 cells

Bioorg Med Chem 18: 728-36 (2010)


Article DOI: 10.1016/j.bmc.2009.11.062
BindingDB Entry DOI: 10.7270/Q2R78FJF
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50348428
PNG
(CHEMBL1800961 | US9492405, 40)
Show SMILES C[C@H](Cc1ccc2ccccc2c1)NC[C@H](O)c1cc(O)cc(O)c1 |r|
Show InChI InChI=1S/C21H23NO3/c1-14(8-15-6-7-16-4-2-3-5-17(16)9-15)22-13-21(25)18-10-19(23)12-20(24)11-18/h2-7,9-12,14,21-25H,8,13H2,1H3/t14-,21+/m1/s1
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 410n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP-12177 from human beta2-adrenergic receptor expressed in HEK 293 cells

Bioorg Med Chem 18: 728-36 (2010)


Article DOI: 10.1016/j.bmc.2009.11.062
BindingDB Entry DOI: 10.7270/Q2R78FJF
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50348429
PNG
(CHEMBL1800962 | US9492405, 41)
Show SMILES C[C@@H](Cc1ccc2ccccc2c1)NC[C@H](O)c1cc(O)cc(O)c1 |r|
Show InChI InChI=1S/C21H23NO3/c1-14(8-15-6-7-16-4-2-3-5-17(16)9-15)22-13-21(25)18-10-19(23)12-20(24)11-18/h2-7,9-12,14,21-25H,8,13H2,1H3/t14-,21-/m0/s1
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 510n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP-12177 from human beta2-adrenergic receptor expressed in HEK 293 cells

Bioorg Med Chem 18: 728-36 (2010)


Article DOI: 10.1016/j.bmc.2009.11.062
BindingDB Entry DOI: 10.7270/Q2R78FJF
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50348426
PNG
(CHEMBL1800936 | US9492405, 48)
Show SMILES CC[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 |r|
Show InChI InChI=1S/C18H23NO4/c1-2-14(7-12-3-5-15(20)6-4-12)19-11-18(23)13-8-16(21)10-17(22)9-13/h3-6,8-10,14,18-23H,2,7,11H2,1H3/t14-,18+/m1/s1
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 1.27E+3n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP-12177 from human beta2-adrenergic receptor expressed in HEK 293 cells

Bioorg Med Chem 18: 728-36 (2010)


Article DOI: 10.1016/j.bmc.2009.11.062
BindingDB Entry DOI: 10.7270/Q2R78FJF
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM25771
PNG
(1-hydroxy-2-naphthoic acid;4-[1-hydroxy-2-[6-(4-ph...)
Show SMILES OCc1cc(ccc1O)C(O)CNCCCCCCOCCCCc1ccccc1
Show InChI InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2
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 2.30E+3n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [125I]-CYP from human beta1-adrenergic receptor expressed in COS-7 cells by gamma counting

Bioorg Med Chem 18: 728-36 (2010)


Article DOI: 10.1016/j.bmc.2009.11.062
BindingDB Entry DOI: 10.7270/Q2R78FJF
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50348432
PNG
(CHEMBL1800935)
Show SMILES OCc1cc(ccc1O)C(O)CNCCCCCCCCCCCc1ccccc1
Show InChI InChI=1S/C26H39NO3/c28-21-24-19-23(16-17-25(24)29)26(30)20-27-18-12-7-5-3-1-2-4-6-9-13-22-14-10-8-11-15-22/h8,10-11,14-17,19,26-30H,1-7,9,12-13,18,20-21H2
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 2.30E+3n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [125I]-CYP from human beta1-adrenergic receptor expressed in COS-7 cells by gamma counting

Bioorg Med Chem 18: 728-36 (2010)


Article DOI: 10.1016/j.bmc.2009.11.062
BindingDB Entry DOI: 10.7270/Q2R78FJF
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50348427
PNG
(CHEMBL1800960 | US9492405, 49)
Show SMILES CC[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 |r|
Show InChI InChI=1S/C18H23NO4/c1-2-14(7-12-3-5-15(20)6-4-12)19-11-18(23)13-8-16(21)10-17(22)9-13/h3-6,8-10,14,18-23H,2,7,11H2,1H3/t14-,18-/m0/s1
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 5.76E+3n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP-12177 from human beta2-adrenergic receptor expressed in HEK 293 cells

Bioorg Med Chem 18: 728-36 (2010)


Article DOI: 10.1016/j.bmc.2009.11.062
BindingDB Entry DOI: 10.7270/Q2R78FJF
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))		BDBM50348431
PNG
(CHEMBL1800934 | US9492405, 45)
Show SMILES COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)c2ccccc12 |r|
Show InChI InChI=1S/C22H25NO4/c1-14(23-13-21(26)16-10-17(24)12-18(25)11-16)9-15-7-8-22(27-2)20-6-4-3-5-19(15)20/h3-8,10-12,14,21,23-26H,9,13H2,1-2H3/t14-,21-/m0/s1
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 1.48E+4n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP-12177 from beta1-adrenergic receptor in Sprague-Dawley rat cortical membrane after 2 hrs

Bioorg Med Chem 18: 728-36 (2010)


Article DOI: 10.1016/j.bmc.2009.11.062
BindingDB Entry DOI: 10.7270/Q2R78FJF
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))		BDBM50348428
PNG
(CHEMBL1800961 | US9492405, 40)
Show SMILES C[C@H](Cc1ccc2ccccc2c1)NC[C@H](O)c1cc(O)cc(O)c1 |r|
Show InChI InChI=1S/C21H23NO3/c1-14(8-15-6-7-16-4-2-3-5-17(16)9-15)22-13-21(25)18-10-19(23)12-20(24)11-18/h2-7,9-12,14,21-25H,8,13H2,1H3/t14-,21+/m1/s1
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 1.66E+4n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP-12177 from beta1-adrenergic receptor in Sprague-Dawley rat cortical membrane after 2 hrs

Bioorg Med Chem 18: 728-36 (2010)


Article DOI: 10.1016/j.bmc.2009.11.062
BindingDB Entry DOI: 10.7270/Q2R78FJF
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))		BDBM50348429
PNG
(CHEMBL1800962 | US9492405, 41)
Show SMILES C[C@@H](Cc1ccc2ccccc2c1)NC[C@H](O)c1cc(O)cc(O)c1 |r|
Show InChI InChI=1S/C21H23NO3/c1-14(8-15-6-7-16-4-2-3-5-17(16)9-15)22-13-21(25)18-10-19(23)12-20(24)11-18/h2-7,9-12,14,21-25H,8,13H2,1H3/t14-,21-/m0/s1
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 2.71E+4n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP-12177 from beta1-adrenergic receptor in Sprague-Dawley rat cortical membrane after 2 hrs

Bioorg Med Chem 18: 728-36 (2010)


Article DOI: 10.1016/j.bmc.2009.11.062
BindingDB Entry DOI: 10.7270/Q2R78FJF
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))		BDBM50348427
PNG
(CHEMBL1800960 | US9492405, 49)
Show SMILES CC[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 |r|
Show InChI InChI=1S/C18H23NO4/c1-2-14(7-12-3-5-15(20)6-4-12)19-11-18(23)13-8-16(21)10-17(22)9-13/h3-6,8-10,14,18-23H,2,7,11H2,1H3/t14-,18-/m0/s1
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 1.17E+5n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP-12177 from beta1-adrenergic receptor in Sprague-Dawley rat cortical membrane after 2 hrs

Bioorg Med Chem 18: 728-36 (2010)


Article DOI: 10.1016/j.bmc.2009.11.062
BindingDB Entry DOI: 10.7270/Q2R78FJF
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))		BDBM50348430
PNG
(CHEMBL1800963 | US9492405, 44)
Show SMILES COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)c2ccccc12 |r|
Show InChI InChI=1S/C22H25NO4/c1-14(23-13-21(26)16-10-17(24)12-18(25)11-16)9-15-7-8-22(27-2)20-6-4-3-5-19(15)20/h3-8,10-12,14,21,23-26H,9,13H2,1-2H3/t14-,21+/m1/s1
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 1.61E+5n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP-12177 from beta1-adrenergic receptor in Sprague-Dawley rat cortical membrane after 2 hrs

Bioorg Med Chem 18: 728-36 (2010)


Article DOI: 10.1016/j.bmc.2009.11.062
BindingDB Entry DOI: 10.7270/Q2R78FJF
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))		BDBM50348426
PNG
(CHEMBL1800936 | US9492405, 48)
Show SMILES CC[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 |r|
Show InChI InChI=1S/C18H23NO4/c1-2-14(7-12-3-5-15(20)6-4-12)19-11-18(23)13-8-16(21)10-17(22)9-13/h3-6,8-10,14,18-23H,2,7,11H2,1H3/t14-,18+/m1/s1
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 4.24E+5n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP-12177 from beta1-adrenergic receptor in Sprague-Dawley rat cortical membrane after 2 hrs

Bioorg Med Chem 18: 728-36 (2010)


Article DOI: 10.1016/j.bmc.2009.11.062
BindingDB Entry DOI: 10.7270/Q2R78FJF
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Rattus norvegicus)		BDBM50348430
PNG
(CHEMBL1800963 | US9492405, 44)
Show SMILES COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)c2ccccc12 |r|
Show InChI InChI=1S/C22H25NO4/c1-14(23-13-21(26)16-10-17(24)12-18(25)11-16)9-15-7-8-22(27-2)20-6-4-3-5-19(15)20/h3-8,10-12,14,21,23-26H,9,13H2,1-2H3/t14-,21+/m1/s1
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n/an/an/an/a 16n/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Agonist activity beta2-adrenergic receptor in rat ventricular myocytes assessed as cell contraction following electrical stimulation by optical edge ...

Bioorg Med Chem 18: 728-36 (2010)


Article DOI: 10.1016/j.bmc.2009.11.062
BindingDB Entry DOI: 10.7270/Q2R78FJF
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50348427
PNG
(CHEMBL1800960 | US9492405, 49)
Show SMILES CC[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 |r|
Show InChI InChI=1S/C18H23NO4/c1-2-14(7-12-3-5-15(20)6-4-12)19-11-18(23)13-8-16(21)10-17(22)9-13/h3-6,8-10,14,18-23H,2,7,11H2,1H3/t14-,18-/m0/s1
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n/an/an/an/a 17n/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenergic receptor expressed in HEK 293 cells assessed as stimulation of cAMP accumulation by protein kinase binding...

Bioorg Med Chem 18: 728-36 (2010)


Article DOI: 10.1016/j.bmc.2009.11.062
BindingDB Entry DOI: 10.7270/Q2R78FJF
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50213098
PNG
((R,R)-(-)-fenoterol | CHEMBL388570 | US10617654, C...)
Show SMILES C[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3/t11-,17+/m1/s1
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n/an/an/an/a 0.300n/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenergic receptor expressed in HEK 293 cells assessed as stimulation of cAMP accumulation by protein kinase binding...

Bioorg Med Chem 18: 728-36 (2010)


Article DOI: 10.1016/j.bmc.2009.11.062
BindingDB Entry DOI: 10.7270/Q2R78FJF
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50348429
PNG
(CHEMBL1800962 | US9492405, 41)
Show SMILES C[C@@H](Cc1ccc2ccccc2c1)NC[C@H](O)c1cc(O)cc(O)c1 |r|
Show InChI InChI=1S/C21H23NO3/c1-14(8-15-6-7-16-4-2-3-5-17(16)9-15)22-13-21(25)18-10-19(23)12-20(24)11-18/h2-7,9-12,14,21-25H,8,13H2,1H3/t14-,21-/m0/s1
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n/an/an/an/a 7.60n/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenergic receptor expressed in HEK 293 cells assessed as stimulation of cAMP accumulation by protein kinase binding...

Bioorg Med Chem 18: 728-36 (2010)


Article DOI: 10.1016/j.bmc.2009.11.062
BindingDB Entry DOI: 10.7270/Q2R78FJF
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Rattus norvegicus)		BDBM50213106
PNG
((R,S)-(-)-fenoterol | CHEMBL229476 | US10617654, C...)
Show SMILES C[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3/t11-,17-/m0/s1
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n/an/an/an/a 575n/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Agonist activity beta2-adrenergic receptor in rat ventricular myocytes assessed as cell contraction following electrical stimulation by optical edge ...

Bioorg Med Chem 18: 728-36 (2010)


Article DOI: 10.1016/j.bmc.2009.11.062
BindingDB Entry DOI: 10.7270/Q2R78FJF
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50213115
PNG
((R,R)-(-)-5-{1-hydroxy-2-[1-methyl-2-(1-naphthyl)e...)
Show SMILES C[C@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C21H23NO3/c1-14(9-16-7-4-6-15-5-2-3-8-20(15)16)22-13-21(25)17-10-18(23)12-19(24)11-17/h2-8,10-12,14,21-25H,9,13H2,1H3/t14-,21+/m1/s1
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n/an/an/an/a 13n/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenergic receptor expressed in HEK 293 cells assessed as stimulation of cAMP accumulation by protein kinase binding...

Bioorg Med Chem 18: 728-36 (2010)


Article DOI: 10.1016/j.bmc.2009.11.062
BindingDB Entry DOI: 10.7270/Q2R78FJF
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Rattus norvegicus)		BDBM50213110
PNG
((R,S)-(-)-5-{1-hydroxy-2-[1-methyl-2-(1-naphthyl)e...)
Show SMILES C[C@@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C21H23NO3/c1-14(9-16-7-4-6-15-5-2-3-8-20(15)16)22-13-21(25)17-10-18(23)12-19(24)11-17/h2-8,10-12,14,21-25H,9,13H2,1H3/t14-,21-/m0/s1
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n/an/an/an/a 103n/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Agonist activity beta2-adrenergic receptor in rat ventricular myocytes assessed as cell contraction following electrical stimulation by optical edge ...

Bioorg Med Chem 18: 728-36 (2010)


Article DOI: 10.1016/j.bmc.2009.11.062
BindingDB Entry DOI: 10.7270/Q2R78FJF
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50213120
PNG
((R,S)-(-)-1-p-methoxyphenyl-2-(beta-3',5'-dihydrox...)
Show SMILES COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C18H23NO4/c1-12(7-13-3-5-17(23-2)6-4-13)19-11-18(22)14-8-15(20)10-16(21)9-14/h3-6,8-10,12,18-22H,7,11H2,1-2H3/t12-,18-/m0/s1
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n/an/an/an/a 2n/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenergic receptor expressed in HEK 293 cells assessed as stimulation of cAMP accumulation by protein kinase binding...

Bioorg Med Chem 18: 728-36 (2010)


Article DOI: 10.1016/j.bmc.2009.11.062
BindingDB Entry DOI: 10.7270/Q2R78FJF
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Rattus norvegicus)		BDBM50213120
PNG
((R,S)-(-)-1-p-methoxyphenyl-2-(beta-3',5'-dihydrox...)
Show SMILES COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C18H23NO4/c1-12(7-13-3-5-17(23-2)6-4-13)19-11-18(22)14-8-15(20)10-16(21)9-14/h3-6,8-10,12,18-22H,7,11H2,1-2H3/t12-,18-/m0/s1
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n/an/an/an/a 506n/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Agonist activity beta2-adrenergic receptor in rat ventricular myocytes assessed as cell contraction following electrical stimulation by optical edge ...

Bioorg Med Chem 18: 728-36 (2010)


Article DOI: 10.1016/j.bmc.2009.11.062
BindingDB Entry DOI: 10.7270/Q2R78FJF
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50213097
PNG
((S,R)-(+)-1-p-methoxyphenyl-2-(beta-3',5'-dihydrox...)
Show SMILES COc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C18H23NO4/c1-12(7-13-3-5-17(23-2)6-4-13)19-11-18(22)14-8-15(20)10-16(21)9-14/h3-6,8-10,12,18-22H,7,11H2,1-2H3/t12-,18-/m1/s1
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n/an/an/an/a 7.20n/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenergic receptor expressed in HEK 293 cells assessed as stimulation of cAMP accumulation by protein kinase binding...

Bioorg Med Chem 18: 728-36 (2010)


Article DOI: 10.1016/j.bmc.2009.11.062
BindingDB Entry DOI: 10.7270/Q2R78FJF
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50348426
PNG
(CHEMBL1800936 | US9492405, 48)
Show SMILES CC[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 |r|
Show InChI InChI=1S/C18H23NO4/c1-2-14(7-12-3-5-15(20)6-4-12)19-11-18(23)13-8-16(21)10-17(22)9-13/h3-6,8-10,14,18-23H,2,7,11H2,1H3/t14-,18+/m1/s1
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n/an/an/an/a 2.80n/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenergic receptor expressed in HEK 293 cells assessed as stimulation of cAMP accumulation by protein kinase binding...

Bioorg Med Chem 18: 728-36 (2010)


Article DOI: 10.1016/j.bmc.2009.11.062
BindingDB Entry DOI: 10.7270/Q2R78FJF
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Rattus norvegicus)		BDBM50213099
PNG
((R,R)-(-)-1-p-methoxyphenyl-2-(beta-3',5'-dihydrox...)
Show SMILES COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C18H23NO4/c1-12(7-13-3-5-17(23-2)6-4-13)19-11-18(22)14-8-15(20)10-16(21)9-14/h3-6,8-10,12,18-22H,7,11H2,1-2H3/t12-,18+/m1/s1
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n/an/an/an/a 186n/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Agonist activity beta2-adrenergic receptor in rat ventricular myocytes assessed as cell contraction following electrical stimulation by optical edge ...

Bioorg Med Chem 18: 728-36 (2010)


Article DOI: 10.1016/j.bmc.2009.11.062
BindingDB Entry DOI: 10.7270/Q2R78FJF
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Rattus norvegicus)		BDBM50213098
PNG
((R,R)-(-)-fenoterol | CHEMBL388570 | US10617654, C...)
Show SMILES C[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3/t11-,17+/m1/s1
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n/an/an/an/a 73n/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Agonist activity beta2-adrenergic receptor in rat ventricular myocytes assessed as cell contraction following electrical stimulation by optical edge ...

Bioorg Med Chem 18: 728-36 (2010)


Article DOI: 10.1016/j.bmc.2009.11.062
BindingDB Entry DOI: 10.7270/Q2R78FJF
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50348430
PNG
(CHEMBL1800963 | US9492405, 44)
Show SMILES COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)c2ccccc12 |r|
Show InChI InChI=1S/C22H25NO4/c1-14(23-13-21(26)16-10-17(24)12-18(25)11-16)9-15-7-8-22(27-2)20-6-4-3-5-19(15)20/h3-8,10-12,14,21,23-26H,9,13H2,1-2H3/t14-,21+/m1/s1
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n/an/an/an/a 3.90n/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenergic receptor expressed in HEK 293 cells assessed as stimulation of cAMP accumulation by protein kinase binding...

Bioorg Med Chem 18: 728-36 (2010)


Article DOI: 10.1016/j.bmc.2009.11.062
BindingDB Entry DOI: 10.7270/Q2R78FJF
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50213106
PNG
((R,S)-(-)-fenoterol | CHEMBL229476 | US10617654, C...)
Show SMILES C[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3/t11-,17-/m0/s1
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n/an/an/an/a 4.70n/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenergic receptor expressed in HEK 293 cells assessed as stimulation of cAMP accumulation by protein kinase binding...

Bioorg Med Chem 18: 728-36 (2010)


Article DOI: 10.1016/j.bmc.2009.11.062
BindingDB Entry DOI: 10.7270/Q2R78FJF
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50213110
PNG
((R,S)-(-)-5-{1-hydroxy-2-[1-methyl-2-(1-naphthyl)e...)
Show SMILES C[C@@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C21H23NO3/c1-14(9-16-7-4-6-15-5-2-3-8-20(15)16)22-13-21(25)17-10-18(23)12-19(24)11-17/h2-8,10-12,14,21-25H,9,13H2,1H3/t14-,21-/m0/s1
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n/an/an/an/a 2.70n/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenergic receptor expressed in HEK 293 cells assessed as stimulation of cAMP accumulation by protein kinase binding...

Bioorg Med Chem 18: 728-36 (2010)


Article DOI: 10.1016/j.bmc.2009.11.062
BindingDB Entry DOI: 10.7270/Q2R78FJF
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50213099
PNG
((R,R)-(-)-1-p-methoxyphenyl-2-(beta-3',5'-dihydrox...)
Show SMILES COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C18H23NO4/c1-12(7-13-3-5-17(23-2)6-4-13)19-11-18(22)14-8-15(20)10-16(21)9-14/h3-6,8-10,12,18-22H,7,11H2,1-2H3/t12-,18+/m1/s1
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n/an/an/an/a 0.300n/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenergic receptor expressed in HEK 293 cells assessed as stimulation of cAMP accumulation by protein kinase binding...

Bioorg Med Chem 18: 728-36 (2010)


Article DOI: 10.1016/j.bmc.2009.11.062
BindingDB Entry DOI: 10.7270/Q2R78FJF
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Rattus norvegicus)		BDBM50213115
PNG
((R,R)-(-)-5-{1-hydroxy-2-[1-methyl-2-(1-naphthyl)e...)
Show SMILES C[C@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C21H23NO3/c1-14(9-16-7-4-6-15-5-2-3-8-20(15)16)22-13-21(25)17-10-18(23)12-19(24)11-17/h2-8,10-12,14,21-25H,9,13H2,1H3/t14-,21+/m1/s1
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n/an/an/an/a 59n/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Agonist activity beta2-adrenergic receptor in rat ventricular myocytes assessed as cell contraction following electrical stimulation by optical edge ...

Bioorg Med Chem 18: 728-36 (2010)


Article DOI: 10.1016/j.bmc.2009.11.062
BindingDB Entry DOI: 10.7270/Q2R78FJF
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50348431
PNG
(CHEMBL1800934 | US9492405, 45)
Show SMILES COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)c2ccccc12 |r|
Show InChI InChI=1S/C22H25NO4/c1-14(23-13-21(26)16-10-17(24)12-18(25)11-16)9-15-7-8-22(27-2)20-6-4-3-5-19(15)20/h3-8,10-12,14,21,23-26H,9,13H2,1-2H3/t14-,21-/m0/s1
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n/an/an/an/a 4n/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenergic receptor expressed in HEK 293 cells assessed as stimulation of cAMP accumulation by protein kinase binding...

Bioorg Med Chem 18: 728-36 (2010)


Article DOI: 10.1016/j.bmc.2009.11.062
BindingDB Entry DOI: 10.7270/Q2R78FJF
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Rattus norvegicus)		BDBM50348428
PNG
(CHEMBL1800961 | US9492405, 40)
Show SMILES C[C@H](Cc1ccc2ccccc2c1)NC[C@H](O)c1cc(O)cc(O)c1 |r|
Show InChI InChI=1S/C21H23NO3/c1-14(8-15-6-7-16-4-2-3-5-17(16)9-15)22-13-21(25)18-10-19(23)12-20(24)11-18/h2-7,9-12,14,21-25H,8,13H2,1H3/t14-,21+/m1/s1
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n/an/an/an/a 133n/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Agonist activity beta2-adrenergic receptor in rat ventricular myocytes assessed as cell contraction following electrical stimulation by optical edge ...

Bioorg Med Chem 18: 728-36 (2010)


Article DOI: 10.1016/j.bmc.2009.11.062
BindingDB Entry DOI: 10.7270/Q2R78FJF
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Rattus norvegicus)		BDBM50348426
PNG
(CHEMBL1800936 | US9492405, 48)
Show SMILES CC[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 |r|
Show InChI InChI=1S/C18H23NO4/c1-2-14(7-12-3-5-15(20)6-4-12)19-11-18(23)13-8-16(21)10-17(22)9-13/h3-6,8-10,14,18-23H,2,7,11H2,1H3/t14-,18+/m1/s1
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n/an/an/an/a 8.55E+3n/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Agonist activity beta2-adrenergic receptor in rat ventricular myocytes assessed as cell contraction following electrical stimulation by optical edge ...

Bioorg Med Chem 18: 728-36 (2010)


Article DOI: 10.1016/j.bmc.2009.11.062
BindingDB Entry DOI: 10.7270/Q2R78FJF
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50213103
PNG
((S,R)-(+)-fenoterol | CHEMBL229477 | US10617654, C...)
Show SMILES C[C@H](Cc1ccc(O)cc1)NC[C@@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3/t11-,17-/m1/s1
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n/an/an/an/a 8.5n/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenergic receptor expressed in HEK 293 cells assessed as stimulation of cAMP accumulation by protein kinase binding...

Bioorg Med Chem 18: 728-36 (2010)


Article DOI: 10.1016/j.bmc.2009.11.062
BindingDB Entry DOI: 10.7270/Q2R78FJF
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50348428
PNG
(CHEMBL1800961 | US9492405, 40)
Show SMILES C[C@H](Cc1ccc2ccccc2c1)NC[C@H](O)c1cc(O)cc(O)c1 |r|
Show InChI InChI=1S/C21H23NO3/c1-14(8-15-6-7-16-4-2-3-5-17(16)9-15)22-13-21(25)18-10-19(23)12-20(24)11-18/h2-7,9-12,14,21-25H,8,13H2,1H3/t14-,21+/m1/s1
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n/an/an/an/a 0.400n/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenergic receptor expressed in HEK 293 cells assessed as stimulation of cAMP accumulation by protein kinase binding...

Bioorg Med Chem 18: 728-36 (2010)


Article DOI: 10.1016/j.bmc.2009.11.062
BindingDB Entry DOI: 10.7270/Q2R78FJF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%