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Compile Data Set for Download or QSAR

Found 1510 hits of ec50 data for polymerid = 49000255,5059   
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))		BDBM50578615
PNG
(CHEMBL4856990)
Show SMILES Cl.CC(C)(CCc1cccc(Cl)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12
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n/an/an/an/a 0.00631n/an/an/an/a


TBA

Assay Description
Agonist activity at human beta2 adrenoreceptor overexpressed in HEK293 cells assessed as cAMP accumulation

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113697
BindingDB Entry DOI: 10.7270/Q2W95F1H
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50538807
PNG
(BI 1744 CL | BI-1744 CL | BI-1744-CL | CHEBI:83309...)
Show SMILES Cl.COc1ccc(CC(C)(C)NC[C@H](O)c2cc(O)cc3NC(=O)COc23)cc1 |r|
Show InChI InChI=1S/C21H26N2O5.ClH/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);1H/t18-;/m0./s1
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n/an/an/an/a 0.00851n/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenoreceptor overexpressed in human HEK293 cells assessed as cAMP accumulation incubated for 60 mins by HTRF assay

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115178
BindingDB Entry DOI: 10.7270/Q2BP0694
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50538799
PNG
(CHEMBL4645927)
Show SMILES Cl.CC(C)(CCc1ccccc1)NC[C@H](O)c1cc(O)cc2NC(=O)COc12 |r|
Show InChI InChI=1S/C21H26N2O4.ClH/c1-21(2,9-8-14-6-4-3-5-7-14)22-12-18(25)16-10-15(24)11-17-20(16)27-13-19(26)23-17;/h3-7,10-11,18,22,24-25H,8-9,12-13H2,1-2H3,(H,23,26);1H/t18-;/m0./s1
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n/an/an/an/a 0.00912n/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenoreceptor overexpressed in human HEK293 cells assessed as cAMP accumulation incubated for 60 mins by HTRF assay

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115178
BindingDB Entry DOI: 10.7270/Q2BP0694
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50578604
PNG
(CHEMBL4847536)
Show SMILES Cl.CC(CCc1ccc(O)cc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12
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n/an/an/an/a 0.0107n/an/an/an/a


TBA

Assay Description
Agonist activity at human beta2 adrenoreceptor overexpressed in HEK293 cells assessed as cAMP accumulation

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113697
BindingDB Entry DOI: 10.7270/Q2W95F1H
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50578614
PNG
(CHEMBL4871708)
Show SMILES Cl.CC(C)(CCc1ccc(Cl)cc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12
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n/an/an/an/a 0.0126n/an/an/an/a


TBA

Assay Description
Agonist activity at human beta2 adrenoreceptor overexpressed in HEK293 cells assessed as cAMP accumulation

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113697
BindingDB Entry DOI: 10.7270/Q2W95F1H
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50578603
PNG
(CHEMBL4873082)
Show SMILES Cl.CC(CCc1cccc(C)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12
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n/an/an/an/a 0.0129n/an/an/an/a


TBA

Assay Description
Agonist activity at human beta2 adrenoreceptor overexpressed in HEK293 cells assessed as cAMP accumulation

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113697
BindingDB Entry DOI: 10.7270/Q2W95F1H
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50578605
PNG
(CHEMBL4848793)
Show SMILES Cl.CC(CCc1cccc(O)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12
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n/an/an/an/a 0.0135n/an/an/an/a


TBA

Assay Description
Agonist activity at human beta2 adrenoreceptor overexpressed in HEK293 cells assessed as cAMP accumulation

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113697
BindingDB Entry DOI: 10.7270/Q2W95F1H
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50578596
PNG
(CHEMBL4854569)
Show SMILES Cl.COc1ccccc1CCC(C)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12
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n/an/an/an/a 0.0148n/an/an/an/a


TBA

Assay Description
Agonist activity at human beta2 adrenoreceptor overexpressed in HEK293 cells assessed as cAMP accumulation

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113697
BindingDB Entry DOI: 10.7270/Q2W95F1H
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50538804
PNG
(CHEMBL4634131)
Show SMILES Cl.CC(C)(CCc1cccc(O)c1)NC[C@H](O)c1cc(O)cc2NC(=O)COc12 |r|
Show InChI InChI=1S/C21H26N2O5.ClH/c1-21(2,7-6-13-4-3-5-14(24)8-13)22-11-18(26)16-9-15(25)10-17-20(16)28-12-19(27)23-17;/h3-5,8-10,18,22,24-26H,6-7,11-12H2,1-2H3,(H,23,27);1H/t18-;/m0./s1
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n/an/an/an/a 0.0162n/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenoreceptor overexpressed in human HEK293 cells assessed as cAMP accumulation incubated for 60 mins by HTRF assay

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115178
BindingDB Entry DOI: 10.7270/Q2BP0694
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50578611
PNG
(CHEMBL4865710)
Show SMILES Cl.Cc1ccc(CCC(C)(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1
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n/an/an/an/a 0.0166n/an/an/an/a


TBA

Assay Description
Agonist activity at human beta2 adrenoreceptor overexpressed in HEK293 cells assessed as cAMP accumulation

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113697
BindingDB Entry DOI: 10.7270/Q2W95F1H
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50578601
PNG
(CHEMBL4848018)
Show SMILES Cl.CC(CCc1ccccc1C)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12
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n/an/an/an/a 0.0174n/an/an/an/a


TBA

Assay Description
Agonist activity at human beta2 adrenoreceptor overexpressed in HEK293 cells assessed as cAMP accumulation

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113697
BindingDB Entry DOI: 10.7270/Q2W95F1H
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50578613
PNG
(CHEMBL4848704)
Show SMILES Cl.Cc1ccccc1CCC(C)(C)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12
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n/an/an/an/a 0.0178n/an/an/an/a


TBA

Assay Description
Agonist activity at human beta2 adrenoreceptor overexpressed in HEK293 cells assessed as cAMP accumulation

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113697
BindingDB Entry DOI: 10.7270/Q2W95F1H
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50578619
PNG
(CHEMBL4862449)
Show SMILES Cl.CC(C)(CCc1ccc(Cl)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
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n/an/an/an/a 0.0178n/an/an/an/a


TBA

Assay Description
Agonist activity at human beta2 adrenoreceptor overexpressed in HEK293 cells assessed as cAMP accumulation

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113697
BindingDB Entry DOI: 10.7270/Q2W95F1H
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50578618
PNG
(CHEMBL4854261)
Show SMILES Cl.CC(C)(CCc1cccc(O)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12
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n/an/an/an/a 0.0182n/an/an/an/a


TBA

Assay Description
Agonist activity at human beta2 adrenoreceptor overexpressed in HEK293 cells assessed as cAMP accumulation

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113697
BindingDB Entry DOI: 10.7270/Q2W95F1H
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50578616
PNG
(CHEMBL4868938)
Show SMILES Cl.CC(C)(CCc1ccccc1Cl)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12
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n/an/an/an/a 0.0182n/an/an/an/a


TBA

Assay Description
Agonist activity at human beta2 adrenoreceptor overexpressed in HEK293 cells assessed as cAMP accumulation

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113697
BindingDB Entry DOI: 10.7270/Q2W95F1H
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50578598
PNG
(CHEMBL4860454)
Show SMILES Cl.COc1ccc(CCC(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1
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n/an/an/an/a 0.0182n/an/an/an/a


TBA

Assay Description
Agonist activity at human beta2 adrenoreceptor overexpressed in HEK293 cells assessed as cAMP accumulation

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113697
BindingDB Entry DOI: 10.7270/Q2W95F1H
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50578612
PNG
(CHEMBL4855974)
Show SMILES Cl.Cc1cccc(CCC(C)(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1
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n/an/an/an/a 0.0195n/an/an/an/a


TBA

Assay Description
Agonist activity at human beta2 adrenoreceptor overexpressed in HEK293 cells assessed as cAMP accumulation

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113697
BindingDB Entry DOI: 10.7270/Q2W95F1H
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50326544
PNG
((R)-N-(2-chloro-4-hydroxybenzyl)-2-(3-(2-(2-hydrox...)
Show SMILES CC(C)(Cc1cccc(CC(=O)NCc2ccc(O)cc2Cl)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 |r|
Show InChI InChI=1S/C28H34ClN3O6S/c1-28(2,31-17-26(35)20-8-10-25(34)24(13-20)32-39(3,37)38)15-19-6-4-5-18(11-19)12-27(36)30-16-21-7-9-22(33)14-23(21)29/h4-11,13-14,26,31-35H,12,15-17H2,1-3H3,(H,30,36)/t26-/m0/s1
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n/an/an/an/a 0.0200n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as elevation in cAMP level after 1 hr by flashplate m...

J Med Chem 53: 6640-52 (2010)


Article DOI: 10.1021/jm1005989
BindingDB Entry DOI: 10.7270/Q2X0678R
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50212728
PNG
((R)-N-benzyl-2-(3-(2-(2-hydroxy-2-(4-hydroxy-3-(hy...)
Show SMILES CC(C)(Cc1cccc(CC(=O)NCc2ccccc2)c1)NC[C@H](O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C28H34N2O4/c1-28(2,30-18-26(33)23-11-12-25(32)24(15-23)19-31)16-22-10-6-9-21(13-22)14-27(34)29-17-20-7-4-3-5-8-20/h3-13,15,26,30-33H,14,16-19H2,1-2H3,(H,29,34)/t26-/m0/s1
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n/an/an/an/a 0.0200n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta-2 adrenoceptor expressed in CHO cells assessed as elevation of cAMP

Bioorg Med Chem Lett 17: 4012-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.081
BindingDB Entry DOI: 10.7270/Q2M909G9
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50569861
PNG
(BI 1744 | CHEBI:82700 | Olodaterol | Striverdi res...)
Show SMILES COc1ccc(CC(C)(C)NC[C@H](O)c2cc(O)cc3NC(=O)COc23)cc1 |r|
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n/an/an/an/a 0.0200n/an/an/an/a


TBA

Assay Description
Agonist activity at beta2 adrenoceptor (unknown origin)

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01195
BindingDB Entry DOI: 10.7270/Q24F1VJ7
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50223428
PNG
(CHEMBL236039 | N-(2-methoxybenzyl)-5-((R)-2-((R)-2...)
Show SMILES COc1ccccc1CNC(=O)c1cc2cc(C[C@@H](C)NC[C@H](O)c3ccc(O)c(CO)c3)ccc2[nH]1
Show InChI InChI=1S/C29H33N3O5/c1-18(30-16-27(35)20-8-10-26(34)23(13-20)17-33)11-19-7-9-24-22(12-19)14-25(32-24)29(36)31-15-21-5-3-4-6-28(21)37-2/h3-10,12-14,18,27,30,32-35H,11,15-17H2,1-2H3,(H,31,36)/t18-,27+/m1/s1
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n/an/an/an/a 0.0200n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-2 receptor expressed in CHO cells assessed as elevation in cAMP levels

Bioorg Med Chem Lett 17: 6188-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.031
BindingDB Entry DOI: 10.7270/Q2222VM3
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50510102
PNG
(CHEMBL4445289)
Show SMILES CC(C)(CCc1ccccc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
Show InChI InChI=1S/C22H26N2O3/c1-22(2,13-12-15-6-4-3-5-7-15)23-14-19(26)16-8-10-18(25)21-17(16)9-11-20(27)24-21/h3-11,19,23,25-26H,12-14H2,1-2H3,(H,24,27)/t19-/m0/s1
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n/an/an/an/a 0.0209n/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenergic receptor expressed in HEK293 cells assessed as increase in cAMP accumulation after 60 mins by HTRF assay

Bioorg Med Chem 27: 2306-2314 (2019)


Article DOI: 10.1016/j.bmc.2018.10.043
BindingDB Entry DOI: 10.7270/Q2QC06VM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50510102
PNG
(CHEMBL4445289)
Show SMILES CC(C)(CCc1ccccc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
Show InChI InChI=1S/C22H26N2O3/c1-22(2,13-12-15-6-4-3-5-7-15)23-14-19(26)16-8-10-18(25)21-17(16)9-11-20(27)24-21/h3-11,19,23,25-26H,12-14H2,1-2H3,(H,24,27)/t19-/m0/s1
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n/an/an/an/a 0.0210n/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenergic receptor expressed in HEK293 cells assessed as increase in cAMP accumulation after 60 mins by HTRF assay

Bioorg Med Chem 27: 2306-2314 (2019)


Article DOI: 10.1016/j.bmc.2018.10.043
BindingDB Entry DOI: 10.7270/Q2QC06VM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50578590
PNG
(CHEMBL4872480)
Show SMILES Cl.OC(CNCCCc1cc(F)cc(F)c1)c1ccc(O)c2[nH]c(=O)ccc12
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n/an/an/an/a 0.0214n/an/an/an/a


TBA

Assay Description
Agonist activity at human beta2 adrenoreceptor overexpressed in HEK293 cells assessed as cAMP accumulation

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113697
BindingDB Entry DOI: 10.7270/Q2W95F1H
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50578597
PNG
(CHEMBL4863282)
Show SMILES Cl.COc1cccc(CCC(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1
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n/an/an/an/a 0.0214n/an/an/an/a


TBA

Assay Description
Agonist activity at human beta2 adrenoreceptor overexpressed in HEK293 cells assessed as cAMP accumulation

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113697
BindingDB Entry DOI: 10.7270/Q2W95F1H
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50223433
PNG
(CHEMBL236041 | N-benzyl-5-((R)-2-((R)-2-hydroxy-2-...)
Show SMILES C[C@H](Cc1ccc2[nH]c(cc2c1)C(=O)N(C)Cc1ccccc1)NC[C@H](O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C29H33N3O4/c1-19(30-16-28(35)22-9-11-27(34)24(14-22)18-33)12-21-8-10-25-23(13-21)15-26(31-25)29(36)32(2)17-20-6-4-3-5-7-20/h3-11,13-15,19,28,30-31,33-35H,12,16-18H2,1-2H3/t19-,28+/m1/s1
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n/an/an/an/a 0.0220n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-2 receptor expressed in CHO cells assessed as elevation in cAMP levels

Bioorg Med Chem Lett 17: 6188-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.031
BindingDB Entry DOI: 10.7270/Q2222VM3
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50578610
PNG
(CHEMBL4857267)
Show SMILES Cl.COc1ccccc1CCC(C)(C)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12
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n/an/an/an/a 0.0224n/an/an/an/a


TBA

Assay Description
Agonist activity at human beta2 adrenoreceptor overexpressed in HEK293 cells assessed as cAMP accumulation

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113697
BindingDB Entry DOI: 10.7270/Q2W95F1H
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50578620
PNG
(CHEMBL4868585)
Show SMILES Cl.CC(C)(CCc1cccc(Cl)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
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n/an/an/an/a 0.0224n/an/an/an/a


TBA

Assay Description
Agonist activity at human beta2 adrenoreceptor overexpressed in HEK293 cells assessed as cAMP accumulation

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113697
BindingDB Entry DOI: 10.7270/Q2W95F1H
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50326555
PNG
((R)-N-benzyl-2-(3-(2-(2-hydroxy-2-(4-hydroxy-3-(me...)
Show SMILES CC(C)(Cc1cccc(CC(=O)NCc2ccccc2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 |r|
Show InChI InChI=1S/C28H35N3O5S/c1-28(2,30-19-26(33)23-12-13-25(32)24(16-23)31-37(3,35)36)17-22-11-7-10-21(14-22)15-27(34)29-18-20-8-5-4-6-9-20/h4-14,16,26,30-33H,15,17-19H2,1-3H3,(H,29,34)/t26-/m0/s1
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n/an/an/an/a 0.0230n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as elevation in cAMP level after 1 hr by flashplate m...

J Med Chem 53: 6640-52 (2010)


Article DOI: 10.1021/jm1005989
BindingDB Entry DOI: 10.7270/Q2X0678R
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50578599
PNG
(CHEMBL4868684)
Show SMILES Cl.CC(CCc1cccc(F)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12
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n/an/an/an/a 0.0234n/an/an/an/a


TBA

Assay Description
Agonist activity at human beta2 adrenoreceptor overexpressed in HEK293 cells assessed as cAMP accumulation

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113697
BindingDB Entry DOI: 10.7270/Q2W95F1H
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50538801
PNG
(CHEMBL4635163)
Show SMILES Cl.COc1ccccc1CCC(C)(C)NC[C@H](O)c1cc(O)cc2NC(=O)COc12 |r|
Show InChI InChI=1S/C22H28N2O5.ClH/c1-22(2,9-8-14-6-4-5-7-19(14)28-3)23-12-18(26)16-10-15(25)11-17-21(16)29-13-20(27)24-17;/h4-7,10-11,18,23,25-26H,8-9,12-13H2,1-3H3,(H,24,27);1H/t18-;/m0./s1
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n/an/an/an/a 0.0240n/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenoreceptor overexpressed in human HEK293 cells assessed as cAMP accumulation incubated for 60 mins by HTRF assay

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115178
BindingDB Entry DOI: 10.7270/Q2BP0694
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50326547
PNG
(CHEMBL230490 | N-(3,4-dichlorobenzyl)-2-(3-((R)-2-...)
Show SMILES C[C@H](Cc1cccc(CC(=O)NCc2ccc(Cl)c(Cl)c2)c1)NC[C@H](O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C27H30Cl2N2O4/c1-17(30-15-26(34)21-6-8-25(33)22(13-21)16-32)9-18-3-2-4-19(10-18)12-27(35)31-14-20-5-7-23(28)24(29)11-20/h2-8,10-11,13,17,26,30,32-34H,9,12,14-16H2,1H3,(H,31,35)/t17-,26+/m1/s1
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n/an/an/an/a 0.0240n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as elevation in cAMP level after 1 hr by flashplate m...

J Med Chem 53: 6640-52 (2010)


Article DOI: 10.1021/jm1005989
BindingDB Entry DOI: 10.7270/Q2X0678R
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50578588
PNG
(CHEMBL4846631)
Show SMILES Cl.OC(CNCCCc1cccc(F)c1)c1ccc(O)c2[nH]c(=O)ccc12
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n/an/an/an/a 0.0245n/an/an/an/a


TBA

Assay Description
Agonist activity at human beta2 adrenoreceptor overexpressed in HEK293 cells assessed as cAMP accumulation

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113697
BindingDB Entry DOI: 10.7270/Q2W95F1H
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50538803
PNG
(CHEMBL4646881)
Show SMILES Cl.CC(C)(CCc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc2NC(=O)COc12 |r|
Show InChI InChI=1S/C21H26N2O5.ClH/c1-21(2,8-7-13-3-5-14(24)6-4-13)22-11-18(26)16-9-15(25)10-17-20(16)28-12-19(27)23-17;/h3-6,9-10,18,22,24-26H,7-8,11-12H2,1-2H3,(H,23,27);1H/t18-;/m0./s1
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n/an/an/an/a 0.0257n/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenoreceptor overexpressed in human HEK293 cells assessed as cAMP accumulation incubated for 60 mins by HTRF assay

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115178
BindingDB Entry DOI: 10.7270/Q2BP0694
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50578609
PNG
(CHEMBL4863847)
Show SMILES Cl.COc1cccc(CCC(C)(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1
PDB
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n/an/an/an/a 0.0263n/an/an/an/a


TBA

Assay Description
Agonist activity at human beta2 adrenoreceptor overexpressed in HEK293 cells assessed as cAMP accumulation

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113697
BindingDB Entry DOI: 10.7270/Q2W95F1H
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50326556
PNG
(CHEMBL1243158 | N-benzyl-2-(3-((R)-2-((R)-2-hydrox...)
Show SMILES C[C@H](Cc1cccc(CC(=O)NCc2ccccc2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 |r|
Show InChI InChI=1S/C27H33N3O5S/c1-19(28-18-26(32)23-11-12-25(31)24(16-23)30-36(2,34)35)13-21-9-6-10-22(14-21)15-27(33)29-17-20-7-4-3-5-8-20/h3-12,14,16,19,26,28,30-32H,13,15,17-18H2,1-2H3,(H,29,33)/t19-,26+/m1/s1
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n/an/an/an/a 0.0270n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as elevation in cAMP level after 1 hr by flashplate m...

J Med Chem 53: 6640-52 (2010)


Article DOI: 10.1021/jm1005989
BindingDB Entry DOI: 10.7270/Q2X0678R
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50538802
PNG
(CHEMBL4641262)
Show SMILES Cl.COc1cccc(CCC(C)(C)NC[C@H](O)c2cc(O)cc3NC(=O)COc23)c1 |r|
Show InChI InChI=1S/C22H28N2O5.ClH/c1-22(2,8-7-14-5-4-6-16(9-14)28-3)23-12-19(26)17-10-15(25)11-18-21(17)29-13-20(27)24-18;/h4-6,9-11,19,23,25-26H,7-8,12-13H2,1-3H3,(H,24,27);1H/t19-;/m0./s1
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n/an/an/an/a 0.0275n/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenoreceptor overexpressed in human HEK293 cells assessed as cAMP accumulation incubated for 60 mins by HTRF assay

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115178
BindingDB Entry DOI: 10.7270/Q2BP0694
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50578591
PNG
(CHEMBL4872653)
Show SMILES Cl.OC(CNCCCc1cccc(c1)C(F)(F)F)c1ccc(O)c2[nH]c(=O)ccc12
PDB
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n/an/an/an/a 0.0282n/an/an/an/a


TBA

Assay Description
Agonist activity at human beta2 adrenoreceptor overexpressed in HEK293 cells assessed as cAMP accumulation

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113697
BindingDB Entry DOI: 10.7270/Q2W95F1H
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50578600
PNG
(CHEMBL4868763)
Show SMILES Cl.CC(CCc1ccc(F)cc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12
PDB
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n/an/an/an/a 0.0282n/an/an/an/a


TBA

Assay Description
Agonist activity at human beta2 adrenoreceptor overexpressed in HEK293 cells assessed as cAMP accumulation

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113697
BindingDB Entry DOI: 10.7270/Q2W95F1H
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50538793
PNG
(CHEMBL4642770)
Show SMILES Cl.COc1ccccc1CCC(C)(C)NCC(O)c1cc(O)cc2NC(=O)COc12
Show InChI InChI=1S/C22H28N2O5.ClH/c1-22(2,9-8-14-6-4-5-7-19(14)28-3)23-12-18(26)16-10-15(25)11-17-21(16)29-13-20(27)24-17;/h4-7,10-11,18,23,25-26H,8-9,12-13H2,1-3H3,(H,24,27);1H
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n/an/an/an/a 0.0288n/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenoreceptor overexpressed in human HEK293 cells assessed as cAMP accumulation incubated for 60 mins by HTRF assay

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115178
BindingDB Entry DOI: 10.7270/Q2BP0694
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50578607
PNG
(CHEMBL4848617)
Show SMILES Cl.COc1ccccc1CC[C@@H](C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
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n/an/an/an/a 0.0288n/an/an/an/a


TBA

Assay Description
Agonist activity at human beta2 adrenoreceptor overexpressed in HEK293 cells assessed as cAMP accumulation

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113697
BindingDB Entry DOI: 10.7270/Q2W95F1H
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50326548
PNG
(CHEMBL1243348 | N-(cyclohexylmethyl)-2-(3-((R)-2-(...)
Show SMILES C[C@H](Cc1cccc(CC(=O)NCC2CCCCC2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 |r|
Show InChI InChI=1S/C27H39N3O5S/c1-19(28-18-26(32)23-11-12-25(31)24(16-23)30-36(2,34)35)13-21-9-6-10-22(14-21)15-27(33)29-17-20-7-4-3-5-8-20/h6,9-12,14,16,19-20,26,28,30-32H,3-5,7-8,13,15,17-18H2,1-2H3,(H,29,33)/t19-,26+/m1/s1
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n/an/an/an/a 0.0300n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as elevation in cAMP level after 1 hr by flashplate m...

J Med Chem 53: 6640-52 (2010)


Article DOI: 10.1021/jm1005989
BindingDB Entry DOI: 10.7270/Q2X0678R
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50578608
PNG
(CHEMBL4848775)
Show SMILES Cl.COc1ccc(CCC(C)(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1
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n/an/an/an/a 0.0309n/an/an/an/a


TBA

Assay Description
Agonist activity at human beta2 adrenoreceptor overexpressed in HEK293 cells assessed as cAMP accumulation

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113697
BindingDB Entry DOI: 10.7270/Q2W95F1H
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50538796
PNG
(CHEMBL4636255)
Show SMILES Cl.CC(C)(CCc1cccc(O)c1)NCC(O)c1cc(O)cc2NC(=O)COc12
Show InChI InChI=1S/C21H26N2O5.ClH/c1-21(2,7-6-13-4-3-5-14(24)8-13)22-11-18(26)16-9-15(25)10-17-20(16)28-12-19(27)23-17;/h3-5,8-10,18,22,24-26H,6-7,11-12H2,1-2H3,(H,23,27);1H
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n/an/an/an/a 0.0309n/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenoreceptor overexpressed in human HEK293 cells assessed as cAMP accumulation incubated for 60 mins by HTRF assay

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115178
BindingDB Entry DOI: 10.7270/Q2BP0694
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50223441
PNG
(5-{(R)-2-[(R)-2-hydroxy-2-(4-hydroxy-3-hydroxymeth...)
Show SMILES C[C@H](Cc1ccc2[nH]c(cc2c1)C(=O)NCc1nccs1)NC[C@H](O)c1ccc(O)c(CO)c1 |r|
Show InChI InChI=1S/C25H28N4O4S/c1-15(27-12-23(32)17-3-5-22(31)19(10-17)14-30)8-16-2-4-20-18(9-16)11-21(29-20)25(33)28-13-24-26-6-7-34-24/h2-7,9-11,15,23,27,29-32H,8,12-14H2,1H3,(H,28,33)/t15-,23+/m1/s1
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n/an/an/an/a 0.0310n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-2 receptor expressed in CHO cells assessed as elevation in cAMP levels

Bioorg Med Chem Lett 17: 6188-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.031
BindingDB Entry DOI: 10.7270/Q2222VM3
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50324854
PNG
(7-((R)-2-((1R,2R)-2-(benzyloxy)cyclopentylamino)-1...)
Show SMILES O[C@@H](CN[C@@H]1CCC[C@H]1OCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1S/C21H24N2O4S/c24-16-10-9-14(20-19(16)23-21(26)28-20)17(25)11-22-15-7-4-8-18(15)27-12-13-5-2-1-3-6-13/h1-3,5-6,9-10,15,17-18,22,24-25H,4,7-8,11-12H2,(H,23,26)/t15-,17+,18-/m1/s1
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n/an/an/an/a 0.0316n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at beta 2 in human A431 cells adrenoceptor assessed as cAMP accumulation

Bioorg Med Chem Lett 20: 5302-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.136
BindingDB Entry DOI: 10.7270/Q2HD7VVM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50538791
PNG
(CHEMBL4638864)
Show SMILES CC(C)(CCc1ccccc1)NCC(O)c1cc(O)cc2NC(=O)COc12
Show InChI InChI=1S/C21H26N2O4/c1-21(2,9-8-14-6-4-3-5-7-14)22-12-18(25)16-10-15(24)11-17-20(16)27-13-19(26)23-17/h3-7,10-11,18,22,24-25H,8-9,12-13H2,1-2H3,(H,23,26)
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n/an/an/an/a 0.0324n/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenoreceptor overexpressed in human HEK293 cells assessed as cAMP accumulation incubated for 60 mins by HTRF assay

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115178
BindingDB Entry DOI: 10.7270/Q2BP0694
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50578595
PNG
(CHEMBL4853372)
Show SMILES Cl.CC(CCc1ccc(Cl)cc1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12
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n/an/an/an/a 0.0331n/an/an/an/a


TBA

Assay Description
Agonist activity at human beta2 adrenoreceptor overexpressed in HEK293 cells assessed as cAMP accumulation

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113697
BindingDB Entry DOI: 10.7270/Q2W95F1H
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50578593
PNG
(CHEMBL4860764)
Show SMILES Cl.CC(CCc1ccccc1Cl)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12
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n/an/an/an/a 0.0339n/an/an/an/a


TBA

Assay Description
Agonist activity at human beta2 adrenoreceptor overexpressed in HEK293 cells assessed as cAMP accumulation

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113697
BindingDB Entry DOI: 10.7270/Q2W95F1H
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50538800
PNG
(CHEMBL4645203)
Show SMILES Cl.COc1ccc(CCC(C)(C)NC[C@H](O)c2cc(O)cc3NC(=O)COc23)cc1 |r|
Show InChI InChI=1S/C22H28N2O5.ClH/c1-22(2,9-8-14-4-6-16(28-3)7-5-14)23-12-19(26)17-10-15(25)11-18-21(17)29-13-20(27)24-18;/h4-7,10-11,19,23,25-26H,8-9,12-13H2,1-3H3,(H,24,27);1H/t19-;/m0./s1
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n/an/an/an/a 0.0355n/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenoreceptor overexpressed in human HEK293 cells assessed as cAMP accumulation incubated for 60 mins by HTRF assay

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115178
BindingDB Entry DOI: 10.7270/Q2BP0694
More data for this
Ligand-Target Pair
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