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Compile Data Set for Download or QSAR

Found 941 hits Enz. Inhib. hit(s) with all data for entry = 50033683   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50462282
PNG
(CHEMBL4249564)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Nc2ccccc2)cc1)COc1cccc2[nH]ccc12 |r|
Show InChI InChI=1S/C26H28N4O3/c31-22(18-33-25-8-4-7-24-23(25)14-16-28-24)17-27-15-13-19-9-11-21(12-10-19)30-26(32)29-20-5-2-1-3-6-20/h1-12,14,16,22,27-28,31H,13,15,17-18H2,(H2,29,30,32)/t22-/m0/s1
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n/an/an/an/a 2.90n/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at human beta1 adrenergic receptor expressed in HEK293 cells co-expressing Galpha16 assessed as inhibition of isoproterenol-induc...

Eur J Med Chem 150: 757-770 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.032
BindingDB Entry DOI: 10.7270/Q2DV1NJC
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50432701
PNG
(CHEMBL2348201)
Show SMILES OC(CNCCNC(=O)Nc1cccc(Cl)c1)COc1ccc(OCCOC2CCCC2)cc1
Show InChI InChI=1S/C25H34ClN3O5/c26-19-4-3-5-20(16-19)29-25(31)28-13-12-27-17-21(30)18-34-24-10-8-23(9-11-24)33-15-14-32-22-6-1-2-7-22/h3-5,8-11,16,21-22,27,30H,1-2,6-7,12-15,17-18H2,(H2,28,29,31)
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n/an/an/an/a 3n/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Partial agonist activity at human beta1 adrenoceptor expressed in CHOK1 cells assessed as induction of [3H]cAMP accumulation after 5 hrs

J Med Chem 56: 3852-65 (2013)


Article DOI: 10.1021/jm400348g
BindingDB Entry DOI: 10.7270/Q2445NV6
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50268077
PNG
((S)-4-(2-hydroxy-3-(1-(4-methoxyphenyl)-2-methylpr...)
Show SMILES COc1ccc(CC(C)(C)NC[C@H](O)COc2cccc3[nH]c(=O)[nH]c23)cc1 |r|
Show InChI InChI=1S/C21H27N3O4/c1-21(2,11-14-7-9-16(27-3)10-8-14)22-12-15(25)13-28-18-6-4-5-17-19(18)24-20(26)23-17/h4-10,15,22,25H,11-13H2,1-3H3,(H2,23,24,26)/t15-/m0/s1
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n/an/an/an/a 3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to beta-1 adrenoceptor

J Med Chem 52: 3982-93 (2009)


Article DOI: 10.1021/jm900364m
BindingDB Entry DOI: 10.7270/Q2M61K5X
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50070136
PNG
(2-Chloro-N-(4-{2-[(S)-2-hydroxy-3-(4-hydroxy-pheno...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C23H25ClN2O5S/c24-22-3-1-2-4-23(22)32(29,30)26-18-7-5-17(6-8-18)13-14-25-15-20(28)16-31-21-11-9-19(27)10-12-21/h1-12,20,25-28H,13-16H2/t20-/m0/s1
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n/an/an/an/a 3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against cloned human beta-1 adrenergic receptor as percent activation of adenyl cyclase activity at a concentration of 1000 nM

Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50027163
PNG
(CHEMBL183211)
Show SMILES [H][C@](O)(Cc1ccc(NC(=O)Nc2ccccc2)cc1)NC[C@H](O)COc1ccccc1
Show InChI InChI=1S/C24H27N3O4/c28-21(17-31-22-9-5-2-6-10-22)16-25-23(29)15-18-11-13-20(14-12-18)27-24(30)26-19-7-3-1-4-8-19/h1-14,21,23,25,28-29H,15-17H2,(H2,26,27,30)/t21-,23-/m0/s1
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n/an/an/an/a 3n/an/an/an/a



Fujisawa Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Agonistic activity was assessed by measuring cAMP accumulation in CHO cell lines expressing cloned human Beta-1 adrenergic receptor

Bioorg Med Chem Lett 15: 251-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.11.001
BindingDB Entry DOI: 10.7270/Q2QJ7J2T
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50093036
PNG
(CHEMBL76403 | N-[6-(6,7-Dihydroxy-1,2,3,4-tetrahyd...)
Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc2cc(OCC3NCCc4cc(O)c(O)cc34)ccc2c1
Show InChI InChI=1S/C33H38N4O6S/c1-2-3-4-5-15-35-33(40)36-25-9-12-28(13-10-25)44(41,42)37-26-8-6-23-18-27(11-7-22(23)17-26)43-21-30-29-20-32(39)31(38)19-24(29)14-16-34-30/h6-13,17-20,30,34,37-39H,2-5,14-16,21H2,1H3,(H2,35,36,40)
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n/an/an/an/a 3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against human beta1 adrenergic receptor (AR) at a concentration of 10000 nm

Bioorg Med Chem Lett 10: 2283-6 (2001)


BindingDB Entry DOI: 10.7270/Q2F47NCG
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50156248
PNG
(Benzenesulfonic acid 3-(2-{(R)-(R)-2-hydroxy-2-[3-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3ccccc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C29H29N3O6S3/c1-20(30-19-26(33)21-8-5-9-23(17-21)32-40(34,35)28-14-7-15-39-28)16-22-18-31-29-25(22)12-6-13-27(29)38-41(36,37)24-10-3-2-4-11-24/h2-15,17-18,20,26,30-33H,16,19H2,1H3/t20-,26+/m1/s1
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n/an/an/an/a 3.10n/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Agonist activity at Homo sapiens (human) beta1 adrenoreceptor

Med Chem Res 19: 1121-1140 (2010)


Article DOI: 10.1007/s00044-009-9257-x
BindingDB Entry DOI: 10.7270/Q2057JTC
More data for this
Ligand-Target Pair
Beta-1 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 3.10n/an/an/an/a


TBA

Assay Description
Agonist activity at human beta1 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-1 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 3.10n/an/an/an/a


TBA

Assay Description
Agonist activity at human beta1 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-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50372691
PNG
(CHEMBL257106)
Show SMILES O[C@@H](CNCCc1ccc(c(Cl)c1)-c1ccc(cc1)C(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H21Cl2NO3/c24-19-3-1-2-18(13-19)22(27)14-26-11-10-15-4-9-20(21(25)12-15)16-5-7-17(8-6-16)23(28)29/h1-9,12-13,22,26-27H,10-11,14H2,(H,28,29)/t22-/m0/s1
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n/an/an/an/a 3.10n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM25392
PNG
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
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n/an/an/an/a 3.20n/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human beta1 adrenergic receptor expressed in CHO cells assessed as accumulation of cyclic AMP after 30 mins

J Med Chem 60: 3252-3265 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01197
BindingDB Entry DOI: 10.7270/Q2M61NQX
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM25392
PNG
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
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n/an/an/an/a 3.20n/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at human beta1 adrenergic receptor expressed in HEK293 cells assessed as increase in cAMP accumulation after 60 mins by HTRF assay

Eur J Med Chem 152: 424-435 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.041
BindingDB Entry DOI: 10.7270/Q2GH9MNH
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM25392
PNG
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
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n/an/an/an/a 3.20n/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at human beta1 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-1 adrenergic receptor


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



GlaxoSmithKline

Curated by ChEMBL


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

J Med Chem 45: 567-83 (2002)


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


(Homo sapiens (Human))		BDBM50301252
PNG
(4-amino-N-(4-(2-(2-hydroxy-2-(5-hydroxy-3-oxo-3,4-...)
Show SMILES CC(C)(Cc1ccc(NC(=O)CCCN)cc1)NCC(O)c1ccc(O)c2NC(=O)COc12
Show InChI InChI=1S/C24H32N4O5/c1-24(2,12-15-5-7-16(8-6-15)27-20(31)4-3-11-25)26-13-19(30)17-9-10-18(29)22-23(17)33-14-21(32)28-22/h5-10,19,26,29-30H,3-4,11-14,25H2,1-2H3,(H,27,31)(H,28,32)
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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 beta-1 adrenoceptor expressed in CHOK1 cell assessed as increase of intracellular cAMP level

Bioorg Med Chem Lett 19: 5237-40 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.104
BindingDB Entry DOI: 10.7270/Q2PN95Q8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50301255
PNG
(2-(4-(4-(2-(2-hydroxy-2-(5-hydroxy-3-oxo-3,4-dihyd...)
Show SMILES CC(C)(Cc1ccc(NC(=O)CCCNC(=O)C[N+](C)(C)C)cc1)NCC(O)c1ccc(O)c2NC(=O)COc12
Show InChI InChI=1S/C29H41N5O6/c1-29(2,31-16-23(36)21-12-13-22(35)27-28(21)40-18-26(39)33-27)15-19-8-10-20(11-9-19)32-24(37)7-6-14-30-25(38)17-34(3,4)5/h8-13,23,31,36H,6-7,14-18H2,1-5H3,(H3-,30,32,33,35,37,38,39)/p+1
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n/an/an/an/a 3.5n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human beta-1 adrenoceptor expressed in CHOK1 cell assessed as increase of intracellular cAMP level

Bioorg Med Chem Lett 19: 5237-40 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.104
BindingDB Entry DOI: 10.7270/Q2PN95Q8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50328301
PNG
(4-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-...)
Show SMILES OCc1cc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)ccc1O
Show InChI InChI=1S/C27H30N4O4S/c32-14-19-12-22(6-7-24(19)34)35-15-21(33)13-28-20-8-10-31(11-9-20)26-25-23(18-4-2-1-3-5-18)16-36-27(25)30-17-29-26/h1-7,12,16-17,20-21,28,32-34H,8-11,13-15H2
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n/an/an/an/a 3.5n/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta1 receptor expressed in CHO cells assessed as cyclic AMP formation by HTRF assay

Bioorg Med Chem Lett 20: 6108-15 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.039
BindingDB Entry DOI: 10.7270/Q2WM1DNR
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50432705
PNG
(CHEMBL2348219)
Show SMILES OC(CNCCNC(=O)Nc1ccc(O)cc1)COc1ccc(OCCOC2CCCC2)cc1
Show InChI InChI=1S/C25H35N3O6/c29-20-7-5-19(6-8-20)28-25(31)27-14-13-26-17-21(30)18-34-24-11-9-23(10-12-24)33-16-15-32-22-3-1-2-4-22/h5-12,21-22,26,29-30H,1-4,13-18H2,(H2,27,28,31)
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n/an/an/an/a 3.60n/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Partial agonist activity at human beta1 adrenoceptor expressed in CHOK1 cells assessed as induction of [3H]cAMP accumulation after 5 hrs

J Med Chem 56: 3852-65 (2013)


Article DOI: 10.1021/jm400348g
BindingDB Entry DOI: 10.7270/Q2445NV6
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50378072
PNG
(CHEMBL1204383)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Nc2ccccc2)cc1)COc1ccccc1
Show InChI InChI=1S/C24H27N3O3/c28-22(18-30-23-9-5-2-6-10-23)17-25-16-15-19-11-13-21(14-12-19)27-24(29)26-20-7-3-1-4-8-20/h1-14,22,25,28H,15-18H2,(H2,26,27,29)/t22-/m0/s1
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n/an/an/an/a 3.60n/an/an/an/a



Fujisawa Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Agonistic activity was assessed by measuring cAMP accumulation in CHO cell lines expressing cloned human Beta-1 adrenergic receptor

Bioorg Med Chem Lett 15: 251-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.11.001
BindingDB Entry DOI: 10.7270/Q2QJ7J2T
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50299894
PNG
(5-hydroxy-8-(1-hydroxy-2-(2-methyl-1-(4-(trifluoro...)
Show SMILES CC(C)(Cc1ccc(OC(F)(F)F)cc1)NCC(O)c1ccc(O)c2NC(=O)COc12
Show InChI InChI=1S/C21H23F3N2O5/c1-20(2,9-12-3-5-13(6-4-12)31-21(22,23)24)25-10-16(28)14-7-8-15(27)18-19(14)30-11-17(29)26-18/h3-8,16,25,27-28H,9-11H2,1-2H3,(H,26,29)
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n/an/an/an/a 3.60n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co KG

Curated by ChEMBL


Assay Description
Agonist activity at human adrenergic beta 1 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation

Bioorg Med Chem Lett 19: 6640-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.013
BindingDB Entry DOI: 10.7270/Q29W0FJX
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50299895
PNG
(5-hydroxy-8-(1-hydroxy-2-(2-methyl-1-(3-(trifluoro...)
Show SMILES CC(C)(Cc1cccc(c1)C(F)(F)F)NCC(O)c1ccc(O)c2NC(=O)COc12
Show InChI InChI=1S/C21H23F3N2O4/c1-20(2,9-12-4-3-5-13(8-12)21(22,23)24)25-10-16(28)14-6-7-15(27)18-19(14)30-11-17(29)26-18/h3-8,16,25,27-28H,9-11H2,1-2H3,(H,26,29)
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n/an/an/an/a 3.70n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co KG

Curated by ChEMBL


Assay Description
Agonist activity at human adrenergic beta 1 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation

Bioorg Med Chem Lett 19: 6640-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.013
BindingDB Entry DOI: 10.7270/Q29W0FJX
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50299891
PNG
(5-hydroxy-8-(1-hydroxy-2-(2-methyl-1-(4-(trifluoro...)
Show SMILES CC(C)(Cc1ccc(cc1)C(F)(F)F)NCC(O)c1ccc(O)c2NC(=O)COc12
Show InChI InChI=1S/C21H23F3N2O4/c1-20(2,9-12-3-5-13(6-4-12)21(22,23)24)25-10-16(28)14-7-8-15(27)18-19(14)30-11-17(29)26-18/h3-8,16,25,27-28H,9-11H2,1-2H3,(H,26,29)
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n/an/an/an/a 3.70n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co KG

Curated by ChEMBL


Assay Description
Agonist activity at human adrenergic beta 1 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation

Bioorg Med Chem Lett 19: 6640-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.013
BindingDB Entry DOI: 10.7270/Q29W0FJX
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50372678
PNG
(CHEMBL409827)
Show SMILES O[C@@H](CNCCc1ccc(Nc2ccc(cc2)C(O)=O)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C23H23ClN2O3/c24-19-3-1-2-18(14-19)22(27)15-25-13-12-16-4-8-20(9-5-16)26-21-10-6-17(7-11-21)23(28)29/h1-11,14,22,25-27H,12-13,15H2,(H,28,29)/t22-/m0/s1
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n/an/an/an/a 3.90n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-1 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 3.90n/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at human beta1 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-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50021865
PNG
(CHEMBL3298325)
Show SMILES COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1cccc(CN)c1 |r|
Show InChI InChI=1S/C33H34N4O4/c1-41-31-13-9-25(18-28(31)23-4-2-3-22(17-23)19-34)36-24-7-5-21(6-8-24)15-16-35-20-30(39)26-10-12-29(38)33-27(26)11-14-32(40)37-33/h2-14,17-18,30,35-36,38-39H,15-16,19-20,34H2,1H3,(H,37,40)/t30-/m0/s1
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n/an/an/an/a 4n/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human beta1 adrenergic receptor expressed in cells by cAMP accumulation assay

Bioorg Med Chem Lett 24: 2871-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.095
BindingDB Entry DOI: 10.7270/Q22J6DFT
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50418944
PNG
(CHEMBL1807819)
Show SMILES O[C@@H](CNCCCSCCCOCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1S/C23H30N2O4S2/c26-19-9-8-18(22-21(19)25-23(28)31-22)20(27)16-24-11-4-14-30-15-5-12-29-13-10-17-6-2-1-3-7-17/h1-3,6-9,20,24,26-27H,4-5,10-16H2,(H,25,28)/t20-/m0/s1
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n/an/an/an/a 4n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at adrenergic beta1 receptor

Bioorg Med Chem Lett 21: 4612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.097
BindingDB Entry DOI: 10.7270/Q2QV3NS2
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50027166
PNG
(CHEMBL183611)
Show SMILES COc1cccc(NC(=O)Nc2ccc(C[C@@H](CO)NC[C@H](O)COc3ccccc3)cc2)c1
Show InChI InChI=1S/C26H31N3O5/c1-33-25-9-5-6-21(15-25)29-26(32)28-20-12-10-19(11-13-20)14-22(17-30)27-16-23(31)18-34-24-7-3-2-4-8-24/h2-13,15,22-23,27,30-31H,14,16-18H2,1H3,(H2,28,29,32)/t22-,23-/m0/s1
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n/an/an/an/a 4n/an/an/an/a



Fujisawa Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Agonistic activity was assessed by measuring cAMP accumulation in CHO cell lines expressing cloned human Beta-1 adrenergic receptor

Bioorg Med Chem Lett 15: 251-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.11.001
BindingDB Entry DOI: 10.7270/Q2QJ7J2T
More data for this
Ligand-Target Pair
Beta-1 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 4.10n/an/an/an/a


TBA

Assay Description
Agonist activity at human beta1 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-1 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 4.20n/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at human beta1 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-1 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 4.30n/an/an/an/a


TBA

Assay Description
Agonist activity at human beta1 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-1 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 4.5n/an/an/an/a


TBA

Assay Description
Agonist activity at human beta1 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-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))		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 4.5n/an/an/an/a


TBA

Assay Description
Agonist activity at human beta1 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-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50301254
PNG
(4-(2-aminoacetamido)-N-(4-(2-(2-hydroxy-2-(5-hydro...)
Show SMILES CC(C)(Cc1ccc(NC(=O)CCCNC(=O)CN)cc1)NCC(O)c1ccc(O)c2NC(=O)COc12
Show InChI InChI=1S/C26H35N5O6/c1-26(2,29-14-20(33)18-9-10-19(32)24-25(18)37-15-23(36)31-24)12-16-5-7-17(8-6-16)30-21(34)4-3-11-28-22(35)13-27/h5-10,20,29,32-33H,3-4,11-15,27H2,1-2H3,(H,28,35)(H,30,34)(H,31,36)
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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 beta-1 adrenoceptor expressed in CHOK1 cell assessed as increase of intracellular cAMP level

Bioorg Med Chem Lett 19: 5237-40 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.104
BindingDB Entry DOI: 10.7270/Q2PN95Q8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50578594
PNG
(CHEMBL4847767)
Show SMILES Cl.CC(CCc1cccc(Cl)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12
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n/an/an/an/a 4.5n/an/an/an/a


TBA

Assay Description
Agonist activity at human beta1 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-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50432702
PNG
(CHEMBL2348211)
Show SMILES OC(CNCCNC(=O)Nc1ccccc1)COc1ccc(OCCOC2CCCC2)cc1
Show InChI InChI=1S/C25H35N3O5/c29-21(18-26-14-15-27-25(30)28-20-6-2-1-3-7-20)19-33-24-12-10-23(11-13-24)32-17-16-31-22-8-4-5-9-22/h1-3,6-7,10-13,21-22,26,29H,4-5,8-9,14-19H2,(H2,27,28,30)
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n/an/an/an/a 4.5n/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Partial agonist activity at human beta1 adrenoceptor expressed in CHOK1 cells assessed as induction of [3H]cAMP accumulation after 5 hrs

J Med Chem 56: 3852-65 (2013)


Article DOI: 10.1021/jm400348g
BindingDB Entry DOI: 10.7270/Q2445NV6
More data for this
Ligand-Target Pair
Beta-1 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 4.60n/an/an/an/a


TBA

Assay Description
Agonist activity at human beta1 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-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50301251
PNG
(4-(3-aminopropanamido)-N-(4-(2-(2-hydroxy-2-(5-hyd...)
Show SMILES CC(C)(Cc1ccc(NC(=O)CCCNC(=O)CCN)cc1)NCC(O)c1ccc(O)c2NC(=O)COc12
Show InChI InChI=1S/C27H37N5O6/c1-27(2,30-15-21(34)19-9-10-20(33)25-26(19)38-16-24(37)32-25)14-17-5-7-18(8-6-17)31-23(36)4-3-13-29-22(35)11-12-28/h5-10,21,30,33-34H,3-4,11-16,28H2,1-2H3,(H,29,35)(H,31,36)(H,32,37)
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n/an/an/an/a 4.60n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human beta-1 adrenoceptor expressed in CHOK1 cell assessed as increase of intracellular cAMP level

Bioorg Med Chem Lett 19: 5237-40 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.104
BindingDB Entry DOI: 10.7270/Q2PN95Q8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50299889
PNG
(5-hydroxy-8-(1-hydroxy-2-(3-methyl-1-o-tolylpropan...)
Show SMILES Cc1cccc(CC(C)(C)NCC(O)c2ccc(O)c3NC(=O)COc23)c1
Show InChI InChI=1S/C21H26N2O4/c1-13-5-4-6-14(9-13)10-21(2,3)22-11-17(25)15-7-8-16(24)19-20(15)27-12-18(26)23-19/h4-9,17,22,24-25H,10-12H2,1-3H3,(H,23,26)
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n/an/an/an/a 5n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co KG

Curated by ChEMBL


Assay Description
Agonist activity at human adrenergic beta 1 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation

Bioorg Med Chem Lett 19: 6640-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.013
BindingDB Entry DOI: 10.7270/Q29W0FJX
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


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



GlaxoSmithKline

Curated by ChEMBL


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

J Med Chem 45: 567-83 (2002)


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


(Homo sapiens (Human))		BDBM50328285
PNG
(1-phenoxy-3-(1-(thieno[2,3-d]pyrimidin-4-yl)piperi...)
Show SMILES OC(CNC1CCN(CC1)c1ncnc2sccc12)COc1ccccc1
Show InChI InChI=1S/C20H24N4O2S/c25-16(13-26-17-4-2-1-3-5-17)12-21-15-6-9-24(10-7-15)19-18-8-11-27-20(18)23-14-22-19/h1-5,8,11,14-16,21,25H,6-7,9-10,12-13H2
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n/an/an/an/a 5n/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta1 receptor expressed in CHO cells assessed as cyclic AMP formation by HTRF assay

Bioorg Med Chem Lett 20: 6108-15 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.039
BindingDB Entry DOI: 10.7270/Q2WM1DNR
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50299903
PNG
(8-(2-(1-(biphenyl-4-yl)-2-methylpropan-2-ylamino)-...)
Show SMILES CC(C)(Cc1ccc(cc1)-c1ccccc1)NCC(O)c1ccc(O)c2NC(=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)27-15-22(30)20-12-13-21(29)24-25(20)32-16-23(31)28-24/h3-13,22,27,29-30H,14-16H2,1-2H3,(H,28,31)
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n/an/an/an/a 5n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co KG

Curated by ChEMBL


Assay Description
Agonist activity at human adrenergic beta 1 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation

Bioorg Med Chem Lett 19: 6640-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.013
BindingDB Entry DOI: 10.7270/Q29W0FJX
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


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



GlaxoSmithKline

Curated by ChEMBL


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

J Med Chem 45: 567-83 (2002)


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


(Homo sapiens (Human))		BDBM50510118
PNG
(CHEMBL4561253)
Show SMILES OC(CNCCCc1ccccc1O)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C20H22N2O4/c23-16-6-2-1-4-13(16)5-3-11-21-12-18(25)14-7-9-17(24)20-15(14)8-10-19(26)22-20/h1-2,4,6-10,18,21,23-25H,3,5,11-12H2,(H,22,26)
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n/an/an/an/a 5n/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at human beta1 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-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50301249
PNG
(4-(2-(dimethylamino)acetamido)-N-(4-(2-(2-hydroxy-...)
Show SMILES CN(C)CC(=O)NCCCC(=O)Nc1ccc(CC(C)(C)NCC(O)c2ccc(O)c3NC(=O)COc23)cc1
Show InChI InChI=1S/C28H39N5O6/c1-28(2,30-15-22(35)20-11-12-21(34)26-27(20)39-17-25(38)32-26)14-18-7-9-19(10-8-18)31-23(36)6-5-13-29-24(37)16-33(3)4/h7-12,22,30,34-35H,5-6,13-17H2,1-4H3,(H,29,37)(H,31,36)(H,32,38)
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n/an/an/an/a 5.30n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human beta-1 adrenoceptor expressed in CHOK1 cell assessed as increase of intracellular cAMP level

Bioorg Med Chem Lett 19: 5237-40 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.104
BindingDB Entry DOI: 10.7270/Q2PN95Q8
More data for this
Ligand-Target Pair
Beta-1 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 5.40n/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at human beta1 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-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50299902
PNG
(8-(2-(1-(4-ethylphenyl)-2-methylpropan-2-ylamino)-...)
Show SMILES CCc1ccc(CC(C)(C)NCC(O)c2ccc(O)c3NC(=O)COc23)cc1
Show InChI InChI=1S/C22H28N2O4/c1-4-14-5-7-15(8-6-14)11-22(2,3)23-12-18(26)16-9-10-17(25)20-21(16)28-13-19(27)24-20/h5-10,18,23,25-26H,4,11-13H2,1-3H3,(H,24,27)
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n/an/an/an/a 5.60n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co KG

Curated by ChEMBL


Assay Description
Agonist activity at human adrenergic beta 1 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation

Bioorg Med Chem Lett 19: 6640-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.013
BindingDB Entry DOI: 10.7270/Q29W0FJX
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50156256
PNG
(CHEMBL186135 | Octane-1-sulfonic acid 3-(2-{(R)-(R...)
Show SMILES CCCCCCCCS(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12
Show InChI InChI=1S/C31H41N3O6S3/c1-3-4-5-6-7-8-18-42(36,37)40-29-15-10-14-27-25(21-33-31(27)29)19-23(2)32-22-28(35)24-12-9-13-26(20-24)34-43(38,39)30-16-11-17-41-30/h9-17,20-21,23,28,32-35H,3-8,18-19,22H2,1-2H3/t23-,28+/m1/s1
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n/an/an/an/a 5.60n/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Agonist activity at Homo sapiens (human) beta1 adrenoreceptor

Med Chem Res 19: 1121-1140 (2010)


Article DOI: 10.1007/s00044-009-9257-x
BindingDB Entry DOI: 10.7270/Q2057JTC
More data for this
Ligand-Target Pair
Beta-1 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 5.60n/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at human beta1 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-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50301256
PNG
(CHEMBL570834 | N-(4-(2-(2-hydroxy-2-(5-hydroxy-3-o...)
Show SMILES CN1CCN(CC(=O)NCCCC(=O)Nc2ccc(CC(C)(C)NCC(O)c3ccc(O)c4NC(=O)COc34)cc2)CC1
Show InChI InChI=1S/C31H44N6O6/c1-31(2,33-18-25(39)23-10-11-24(38)29-30(23)43-20-28(42)35-29)17-21-6-8-22(9-7-21)34-26(40)5-4-12-32-27(41)19-37-15-13-36(3)14-16-37/h6-11,25,33,38-39H,4-5,12-20H2,1-3H3,(H,32,41)(H,34,40)(H,35,42)
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n/an/an/an/a 5.70n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human beta-1 adrenoceptor expressed in CHOK1 cell assessed as increase of intracellular cAMP level

Bioorg Med Chem Lett 19: 5237-40 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.104
BindingDB Entry DOI: 10.7270/Q2PN95Q8
More data for this
Ligand-Target Pair
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