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Compile Data Set for Download or QSAR

Found 712 hits of ec50 data for polymerid = 2888   
Target
(Institution)
LigandTarget
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))
BDBM50098664
PNG
(1-(4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonyla...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(cc1)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C26H34N4O7S/c1-38(36,37)28-21-15-18(6-9-23(21)31)24(32)16-27-19-10-13-29(14-11-19)20-7-4-17(5-8-20)25(33)30-12-2-3-22(30)26(34)35/h4-9,15,19,22,24,27-28,31-32H,2-3,10-14,16H2,1H3,(H,34,35)/t22-,24-/m0/s1
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n/an/an/an/a 0n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Increased cAMP levels of Chinese hamster ovary (CHO) cells expressing human beta 1 Adrenergic receptor


J Med Chem 44: 1456-66 (2001)

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 0.0840n/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)

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 0.0840n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta1 receptor expressed in CHO cells assessed as cAMP accumulation


Bioorg Med Chem Lett 18: 5037-40 (2008)

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 0.0840n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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


J Med Chem 51: 4002-20 (2008)

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 0.0840n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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


J Med Chem 51: 4804-22 (2008)

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 0.0840n/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)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50126071
PNG
((R)-1-((R)-3-Chloro-phenyl)-2-[2-(7-methoxy-1H-ind...)
Show SMILES COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12
Show InChI InChI=1S/C20H23ClN2O2/c1-13(22-12-18(24)14-5-3-6-16(21)10-14)9-15-11-23-20-17(15)7-4-8-19(20)25-2/h3-8,10-11,13,18,22-24H,9,12H2,1-2H3/t13-,18+/m1/s1
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n/an/an/an/a 0.130n/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonistic activity against human Beta-1 adrenergic receptor by measuring cAMP accumulation in CHO cells expressing beta3-AR


Bioorg Med Chem Lett 13: 1301-5 (2003)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50328336
PNG
(3-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-...)
Show SMILES OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)COc1cccc(O)c1
Show InChI InChI=1S/C26H28N4O3S/c31-20-7-4-8-22(13-20)33-15-21(32)14-27-19-9-11-30(12-10-19)25-24-23(18-5-2-1-3-6-18)16-34-26(24)29-17-28-25/h1-8,13,16-17,19,21,27,31-32H,9-12,14-15H2
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n/an/an/an/a 0.570n/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)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50299900
PNG
(5-hydroxy-8-(1-hydroxy-2-(2-methyl-1-o-tolylpropan...)
Show SMILES Cc1ccccc1CC(C)(C)NCC(O)c1ccc(O)c2NC(=O)COc12
Show InChI InChI=1S/C21H26N2O4/c1-13-6-4-5-7-14(13)10-21(2,3)22-11-17(25)15-8-9-16(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 0.600n/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)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50299901
PNG
(5-hydroxy-8-(1-hydroxy-2-(2-methyl-1-phenylpropan-...)
Show SMILES CC(C)(Cc1ccccc1)NCC(O)c1ccc(O)c2NC(=O)COc12
Show InChI InChI=1S/C20H24N2O4/c1-20(2,10-13-6-4-3-5-7-13)21-11-16(24)14-8-9-15(23)18-19(14)26-12-17(25)22-18/h3-9,16,21,23-24H,10-12H2,1-2H3,(H,22,25)
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n/an/an/an/a 0.800n/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)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM25748
PNG
(3-(2-{[3-(2-cyanophenoxy)-2-hydroxypropyl]amino}et...)
Show SMILES OC(CNCCNC(=O)Nc1ccccc1)COc1ccccc1C#N
Show InChI InChI=1S/C19H22N4O3/c20-12-15-6-4-5-9-18(15)26-14-17(24)13-21-10-11-22-19(25)23-16-7-2-1-3-8-16/h1-9,17,21,24H,10-11,13-14H2,(H2,22,23,25)
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n/an/an/an/a 0.813n/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)

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 0.840n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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


J Med Chem 52: 3063-72 (2009)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50027164
PNG
(CHEMBL369346)
Show SMILES OC[C@H](Cc1ccc(NC(=O)Nc2cccc(c2)[N+]([O-])=O)cc1)NC[C@H](O)COc1ccccc1
Show InChI InChI=1S/C25H28N4O6/c30-16-21(26-15-23(31)17-35-24-7-2-1-3-8-24)13-18-9-11-19(12-10-18)27-25(32)28-20-5-4-6-22(14-20)29(33)34/h1-12,14,21,23,26,30-31H,13,15-17H2,(H2,27,28,32)/t21-,23-/m0/s1
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n/an/an/an/a 0.900n/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)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50299890
PNG
(5-hydroxy-8-(1-hydroxy-2-(1-(4-hydroxyphenyl)-2-me...)
Show SMILES CC(C)(Cc1ccc(O)cc1)NCC(O)c1ccc(O)c2NC(=O)COc12
Show InChI InChI=1S/C20H24N2O5/c1-20(2,9-12-3-5-13(23)6-4-12)21-10-16(25)14-7-8-15(24)18-19(14)27-11-17(26)22-18/h3-8,16,21,23-25H,9-11H2,1-2H3,(H,22,26)
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n/an/an/an/a 0.900n/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)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


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



GlaxoSmithKline

Curated by ChEMBL


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


J Med Chem 49: 2758-71 (2006)

Checked by Author
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


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



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity against human beta 1 adrenergic receptor (AR), expressed in CHO cells.


J Med Chem 45: 567-83 (2002)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50027167
PNG
(CHEMBL183283)
Show SMILES OC[C@H](Cc1ccc(NC(=O)Nc2cccc(c2)C(O)=O)cc1)NC[C@H](O)COc1ccccc1
Show InChI InChI=1S/C26H29N3O6/c30-16-22(27-15-23(31)17-35-24-7-2-1-3-8-24)13-18-9-11-20(12-10-18)28-26(34)29-21-6-4-5-19(14-21)25(32)33/h1-12,14,22-23,27,30-31H,13,15-17H2,(H,32,33)(H2,28,29,34)/t22-,23-/m0/s1
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n/an/an/an/a 1.30n/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)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50372675
PNG
(CHEMBL272234)
Show SMILES O[C@@H](CNCCc1ccc(Oc2ccc(cn2)C(O)=O)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C22H21ClN2O4/c23-18-3-1-2-16(12-18)20(26)14-24-11-10-15-4-7-19(8-5-15)29-21-9-6-17(13-25-21)22(27)28/h1-9,12-13,20,24,26H,10-11,14H2,(H,27,28)/t20-/m0/s1
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n/an/an/an/a 1.40n/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)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50021888
PNG
(CHEMBL3298987)
Show SMILES CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1
Show InChI InChI=1S/C35H38N4O4/c1-35(2,36)22-43-32-16-12-26(20-29(32)24-6-4-3-5-7-24)38-25-10-8-23(9-11-25)18-19-37-21-31(41)27-13-15-30(40)34-28(27)14-17-33(42)39-34/h3-17,20,31,37-38,40-41H,18-19,21-22,36H2,1-2H3,(H,39,42)/t31-/m0/s1
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n/an/an/an/a 1.60n/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)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50246936
PNG
((-)-(S)-Propranolol | 1-(ISOPROPYLAMINO)-3-(1-NAPH...)
Show SMILES CC(C)NC[C@H](O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m0/s1
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n/an/an/an/a 1.80n/an/an/an/a



Tom's of Maine

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human recombinant adrenergic beta-1 receptor expressed in Rex16 cells


J Nat Prod 69: 432-5 (2006)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50301253
PNG
(4-guanidino-N-(4-(2-(2-hydroxy-2-(5-hydroxy-3-oxo-...)
Show SMILES CC(C)(Cc1ccc(NC(=O)CCCN=C(N)N)cc1)NCC(O)c1ccc(O)c2NC(=O)COc12
Show InChI InChI=1S/C25H34N6O5/c1-25(2,12-15-5-7-16(8-6-15)30-20(34)4-3-11-28-24(26)27)29-13-19(33)17-9-10-18(32)22-23(17)36-14-21(35)31-22/h5-10,19,29,32-33H,3-4,11-14H2,1-2H3,(H,30,34)(H,31,35)(H4,26,27,28)
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n/an/an/an/a 1.80n/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)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50328293
PNG
(4-(2-hydroxy-3-(1-(5-(thiophen-2-yl)thieno[2,3-d]p...)
Show SMILES OC(CNC1CCN(CC1)c1ncnc2scc(-c3cccs3)c12)COc1ccc(O)cc1
Show InChI InChI=1S/C24H26N4O3S2/c29-17-3-5-19(6-4-17)31-13-18(30)12-25-16-7-9-28(10-8-16)23-22-20(21-2-1-11-32-21)14-33-24(22)27-15-26-23/h1-6,11,14-16,18,25,29-30H,7-10,12-13H2
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n/an/an/an/a 1.80n/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)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50126067
PNG
((R)-1-((R)-3-Chloro-phenyl)-2-[2-(1H-indol-3-yl)-1...)
Show SMILES C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H21ClN2O/c1-13(9-15-11-22-18-8-3-2-7-17(15)18)21-12-19(23)14-5-4-6-16(20)10-14/h2-8,10-11,13,19,21-23H,9,12H2,1H3/t13-,19+/m1/s1
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n/an/an/an/a 1.90n/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonistic activity against human Beta-1 adrenergic receptor by measuring cAMP accumulation in CHO cells expressing beta3-AR


Bioorg Med Chem Lett 13: 1301-5 (2003)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50021881
PNG
(CHEMBL3298762)
Show SMILES O[C@@H](CNCCc1ccc(Nc2ccc(OCCNC(=O)c3ccccc3)cc2)cc1)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C34H34N4O5/c39-30-16-14-28(29-15-17-32(41)38-33(29)30)31(40)22-35-19-18-23-6-8-25(9-7-23)37-26-10-12-27(13-11-26)43-21-20-36-34(42)24-4-2-1-3-5-24/h1-17,31,35,37,39-40H,18-22H2,(H,36,42)(H,38,41)/t31-/m0/s1
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n/an/an/an/a 2n/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)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50093039
PNG
(4-(3,5-Diiodo-4-methoxy-benzyl)-4,5,6,7-tetrahydro...)
Show SMILES COc1c(I)cc(CC2NCCc3nc(N)sc23)cc1I
Show InChI InChI=1S/C14H15I2N3OS/c1-20-12-8(15)4-7(5-9(12)16)6-11-13-10(2-3-18-11)19-14(17)21-13/h4-5,11,18H,2-3,6H2,1H3,(H2,17,19)
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n/an/an/an/a 2n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Percent adenylyl cyclase activation at 10000 nM of compound concentration


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

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50027161
PNG
(CHEMBL183307)
Show SMILES COc1ccc(NC(=O)Nc2ccc(C[C@@H](CO)NC[C@H](O)COc3ccccc3)cc2)cc1
Show InChI InChI=1S/C26H31N3O5/c1-33-24-13-11-21(12-14-24)29-26(32)28-20-9-7-19(8-10-20)15-22(17-30)27-16-23(31)18-34-25-5-3-2-4-6-25/h2-14,22-23,27,30-31H,15-18H2,1H3,(H2,28,29,32)/t22-,23-/m0/s1
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n/an/an/an/a 2.20n/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)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50432704
PNG
(CHEMBL2348218)
Show SMILES OC(CNCCNC(=O)Nc1ccc(O)cc1)COc1ccc(OCCOCCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C28H34FN3O6/c29-22-3-1-21(2-4-22)13-16-36-17-18-37-26-9-11-27(12-10-26)38-20-25(34)19-30-14-15-31-28(35)32-23-5-7-24(33)8-6-23/h1-12,25,30,33-34H,13-20H2,(H2,31,32,35)
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n/an/an/an/a 2.30n/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)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50432707
PNG
(LK-204-545 | LK-204545)
Show SMILES OC(CNCCNC(=O)Nc1ccc(O)cc1)COc1ccc(OCCOCC2CC2)cc1C#N
Show InChI InChI=1S/C25H32N4O6/c26-14-19-13-23(34-12-11-33-16-18-1-2-18)7-8-24(19)35-17-22(31)15-27-9-10-28-25(32)29-20-3-5-21(30)6-4-20/h3-8,13,18,22,27,30-31H,1-2,9-12,15-17H2,(H2,28,29,32)
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n/an/an/an/a 2.30n/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)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50021864
PNG
(CHEMBL3298324)
Show SMILES COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1CN
Show InChI InChI=1S/C33H34N4O4/c1-41-31-14-10-24(18-28(31)25-5-3-2-4-22(25)19-34)36-23-8-6-21(7-9-23)16-17-35-20-30(39)26-11-13-29(38)33-27(26)12-15-32(40)37-33/h2-15,18,30,35-36,38-39H,16-17,19-20,34H2,1H3,(H,37,40)/t30-/m0/s1
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n/an/an/an/a 2.5n/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)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50021866
PNG
(CHEMBL3298326)
Show SMILES COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccc(CN)cc1
Show InChI InChI=1S/C33H34N4O4/c1-41-31-14-10-25(18-28(31)23-6-2-22(19-34)3-7-23)36-24-8-4-21(5-9-24)16-17-35-20-30(39)26-11-13-29(38)33-27(26)12-15-32(40)37-33/h2-15,18,30,35-36,38-39H,16-17,19-20,34H2,1H3,(H,37,40)/t30-/m0/s1
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n/an/an/an/a 2.5n/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)

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)

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)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50027163
PNG
(CHEMBL183211)
Show SMILES O[C@@H](CN[C@@H](O)Cc1ccc(NC(=O)Nc2ccccc2)cc1)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)

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
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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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
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)

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
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)

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)

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)

More data for this
Ligand-Target Pair
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