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Compile Data Set for Download or QSAR

Found 2508 hits Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor'   
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))
BDBM50378919
PNG
(CHEMBL2011218)
Show SMILES O[C@@H](CNCCNC(=O)Nc1cccc(OCCF)c1)COc1ccccc1C#N
Show InChI InChI=1S/C21H25FN4O4/c22-8-11-29-19-6-3-5-17(12-19)26-21(28)25-10-9-24-14-18(27)15-30-20-7-2-1-4-16(20)13-23/h1-7,12,18,24,27H,8-11,14-15H2,(H2,25,26,28)/t18-/m0/s1
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n/an/a 0.0400n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay


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


(Homo sapiens (human))
BDBM50378913
PNG
(CHEMBL2011227)
Show SMILES O[C@@H](CNCCNC(=O)Nc1ccc(Br)nc1)COc1ccccc1C#N
Show InChI InChI=1S/C18H20BrN5O3/c19-17-6-5-14(10-23-17)24-18(26)22-8-7-21-11-15(25)12-27-16-4-2-1-3-13(16)9-20/h1-6,10,15,21,25H,7-8,11-12H2,(H2,22,24,26)/t15-/m0/s1
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TBA

Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay


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


(Homo sapiens (human))
BDBM50378927
PNG
(CHEMBL2011226)
Show SMILES O[C@@H](CNCCNC(=O)Nc1ccc(I)nc1)COc1ccccc1C#N
Show InChI InChI=1S/C18H20IN5O3/c19-17-6-5-14(10-23-17)24-18(26)22-8-7-21-11-15(25)12-27-16-4-2-1-3-13(16)9-20/h1-6,10,15,21,25H,7-8,11-12H2,(H2,22,24,26)/t15-/m0/s1
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TBA

Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay


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


(Homo sapiens (human))
BDBM50378917
PNG
(CHEMBL2011216)
Show SMILES O[C@@H](CNCCNC(=O)Nc1ccc(OCCF)cc1)COc1ccccc1C#N
Show InChI InChI=1S/C21H25FN4O4/c22-9-12-29-19-7-5-17(6-8-19)26-21(28)25-11-10-24-14-18(27)15-30-20-4-2-1-3-16(20)13-23/h1-8,18,24,27H,9-12,14-15H2,(H2,25,26,28)/t18-/m0/s1
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TBA

Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay


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


(Homo sapiens (human))
BDBM50378916
PNG
(CHEMBL2011215)
Show SMILES O[C@@H](CNCCNC(=O)Nc1ccc(F)cc1)COc1ccccc1C#N
Show InChI InChI=1S/C19H21FN4O3/c20-15-5-7-16(8-6-15)24-19(26)23-10-9-22-12-17(25)13-27-18-4-2-1-3-14(18)11-21/h1-8,17,22,25H,9-10,12-13H2,(H2,23,24,26)/t17-/m0/s1
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TBA

Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay


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


(Homo sapiens (human))
BDBM50378925
PNG
(CHEMBL2011224)
Show SMILES O[C@@H](CNCCNC(=O)Nc1ccc(OCCF)nc1)COc1ccccc1C#N
Show InChI InChI=1S/C20H24FN5O4/c21-7-10-29-19-6-5-16(12-25-19)26-20(28)24-9-8-23-13-17(27)14-30-18-4-2-1-3-15(18)11-22/h1-6,12,17,23,27H,7-10,13-14H2,(H2,24,26,28)/t17-/m0/s1
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TBA

Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay


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


(Homo sapiens (human))
BDBM50378914
PNG
(CHEMBL2011213)
Show SMILES COc1ccc(NC(=O)NCCNC[C@H](O)COc2ccccc2C#N)cc1
Show InChI InChI=1S/C20H24N4O4/c1-27-18-8-6-16(7-9-18)24-20(26)23-11-10-22-13-17(25)14-28-19-5-3-2-4-15(19)12-21/h2-9,17,22,25H,10-11,13-14H2,1H3,(H2,23,24,26)/t17-/m0/s1
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TBA

Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay


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


(Homo sapiens (human))
BDBM50378935
PNG
(CHEMBL2011235)
Show SMILES O[C@@H](CNCCNC(=O)Cc1ccc(F)cc1)COc1ccccc1C#N
Show InChI InChI=1S/C20H22FN3O3/c21-17-7-5-15(6-8-17)11-20(26)24-10-9-23-13-18(25)14-27-19-4-2-1-3-16(19)12-22/h1-8,18,23,25H,9-11,13-14H2,(H,24,26)/t18-/m0/s1
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TBA

Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay


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


(Homo sapiens (human))
BDBM50378915
PNG
(CHEMBL2011214)
Show SMILES O[C@@H](CNCCNC(=O)Nc1ccccc1F)COc1ccccc1C#N
Show InChI InChI=1S/C19H21FN4O3/c20-16-6-2-3-7-17(16)24-19(26)23-10-9-22-12-15(25)13-27-18-8-4-1-5-14(18)11-21/h1-8,15,22,25H,9-10,12-13H2,(H2,23,24,26)/t15-/m0/s1
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TBA

Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay


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


(Homo sapiens (human))
BDBM50378918
PNG
(CHEMBL2011217)
Show SMILES O[C@@H](CNCCNC(=O)Nc1ccc(OCCCF)cc1)COc1ccccc1C#N
Show InChI InChI=1S/C22H27FN4O4/c23-10-3-13-30-20-8-6-18(7-9-20)27-22(29)26-12-11-25-15-19(28)16-31-21-5-2-1-4-17(21)14-24/h1-2,4-9,19,25,28H,3,10-13,15-16H2,(H2,26,27,29)/t19-/m0/s1
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TBA

Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay


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


(Homo sapiens (human))
BDBM50378926
PNG
(CHEMBL2011225)
Show SMILES O[C@@H](CNCCNC(=O)Nc1ccc(F)nc1)COc1ccccc1C#N
Show InChI InChI=1S/C18H20FN5O3/c19-17-6-5-14(10-23-17)24-18(26)22-8-7-21-11-15(25)12-27-16-4-2-1-3-13(16)9-20/h1-6,10,15,21,25H,7-8,11-12H2,(H2,22,24,26)/t15-/m0/s1
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TBA

Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay


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


(Homo sapiens (human))
BDBM50378928
PNG
(CHEMBL2011228)
Show SMILES O[C@@H](CNCCNC(=O)Nc1cnc(Br)cn1)COc1ccccc1C#N
Show InChI InChI=1S/C17H19BrN6O3/c18-15-9-23-16(10-22-15)24-17(26)21-6-5-20-8-13(25)11-27-14-4-2-1-3-12(14)7-19/h1-4,9-10,13,20,25H,5-6,8,11H2,(H2,21,23,24,26)/t13-/m0/s1
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TBA

Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay


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


(Homo sapiens (human))
BDBM50378923
PNG
(CHEMBL2011222)
Show SMILES O[C@@H](CNCCNC(=O)Nc1ccc(C(O)=O)c(F)c1)COc1ccccc1C#N
Show InChI InChI=1S/C20H21FN4O5/c21-17-9-14(5-6-16(17)19(27)28)25-20(29)24-8-7-23-11-15(26)12-30-18-4-2-1-3-13(18)10-22/h1-6,9,15,23,26H,7-8,11-12H2,(H,27,28)(H2,24,25,29)/t15-/m0/s1
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TBA

Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay


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


(Homo sapiens (human))
BDBM50378920
PNG
(CHEMBL2011219)
Show SMILES CC(CF)Nc1ccc(NC(=O)NCCNC[C@H](O)COc2ccccc2C#N)cc1
Show InChI InChI=1S/C22H28FN5O3/c1-16(12-23)27-18-6-8-19(9-7-18)28-22(30)26-11-10-25-14-20(29)15-31-21-5-3-2-4-17(21)13-24/h2-9,16,20,25,27,29H,10-12,14-15H2,1H3,(H2,26,28,30)/t16?,20-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay


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


(Homo sapiens (human))
BDBM50419677
PNG
(CHEMBL1945035)
Show SMILES O[C@@H](CNCCc1ccccc1CNCCc1ccccc1F)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C26H28FN3O3S/c27-21-8-4-3-6-18(21)12-14-28-15-19-7-2-1-5-17(19)11-13-29-16-23(32)20-9-10-22(31)24-25(20)34-26(33)30-24/h1-10,23,28-29,31-32H,11-16H2,(H,30,33)/t23-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodocyanopindolol from beta1 adrenoceptor


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


(Homo sapiens (human))
BDBM50378924
PNG
(CHEMBL2011223)
Show SMILES CCOc1ccc(NC(=O)NCCNC[C@H](O)COc2cccc(F)c2C#N)cc1
Show InChI InChI=1S/C21H25FN4O4/c1-2-29-17-8-6-15(7-9-17)26-21(28)25-11-10-24-13-16(27)14-30-20-5-3-4-19(22)18(20)12-23/h3-9,16,24,27H,2,10-11,13-14H2,1H3,(H2,25,26,28)/t16-/m0/s1
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TBA

Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay


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


(Homo sapiens (human))
BDBM50378922
PNG
(CHEMBL2011221)
Show SMILES O[C@@H](CNCCNC(=O)Nc1ccc(cc1)C(O)=O)COc1cc(F)ccc1C#N
Show InChI InChI=1S/C20H21FN4O5/c21-15-4-1-14(10-22)18(9-15)30-12-17(26)11-23-7-8-24-20(29)25-16-5-2-13(3-6-16)19(27)28/h1-6,9,17,23,26H,7-8,11-12H2,(H,27,28)(H2,24,25,29)/t17-/m0/s1
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TBA

Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay


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


(Homo sapiens (human))
BDBM50378934
PNG
(CHEMBL2011234)
Show SMILES O[C@@H](CNCCCC(=O)Nc1ccc(F)nc1)COc1ccccc1C#N
Show InChI InChI=1S/C19H21FN4O3/c20-18-8-7-15(11-23-18)24-19(26)6-3-9-22-12-16(25)13-27-17-5-2-1-4-14(17)10-21/h1-2,4-5,7-8,11,16,22,25H,3,6,9,12-13H2,(H,24,26)/t16-/m0/s1
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TBA

Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay


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


(Homo sapiens (human))
BDBM50418942
PNG
(CHEMBL1807822)
Show SMILES O[C@@H](CNCCCOCCOCCc1cccc2ccccc12)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C26H30N2O5S/c29-22-10-9-21(25-24(22)28-26(31)34-25)23(30)17-27-12-4-13-32-15-16-33-14-11-19-7-3-6-18-5-1-2-8-20(18)19/h1-3,5-10,23,27,29-30H,4,11-17H2,(H,28,31)/t23-/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic beta1 receptor


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


(Homo sapiens (human))
BDBM50418943
PNG
(CHEMBL1807821)
Show SMILES O[C@@H](CNCCCOCCOCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C22H28N2O5S/c25-18-8-7-17(21-20(18)24-22(27)30-21)19(26)15-23-10-4-11-28-13-14-29-12-9-16-5-2-1-3-6-16/h1-3,5-8,19,23,25-26H,4,9-15H2,(H,24,27)/t19-/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic beta1 receptor


Citation and Details
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/a 4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic beta1 receptor


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


(Homo sapiens (human))
BDBM25764
PNG
(ALPRENOLOL,(+) | ALPRENOLOL,(-) | Alfeprol | Alphe...)
Show SMILES CC(C)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3
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n/an/a 4.88n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of [3H]dihydroalprenolol radioligand binding to Beta-1 adrenergic receptor in dog heart.


J Med Chem 25: 931-6 (1982)

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


(Homo sapiens (human))
BDBM50378936
PNG
(CHEMBL2011236)
Show SMILES O[C@@H](CNCCNS(=O)(=O)c1ccccc1F)COc1ccccc1C#N
Show InChI InChI=1S/C18H20FN3O4S/c19-16-6-2-4-8-18(16)27(24,25)22-10-9-21-12-15(23)13-26-17-7-3-1-5-14(17)11-20/h1-8,15,21-23H,9-10,12-13H2/t15-/m0/s1
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
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/a 5.30n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for beta-adrenergic activity against beta-1 adrenergic receptor by the inhibition of insulin stimulated [14C]- glucos...


J Med Chem 35: 3081-4 (1992)

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


(Homo sapiens (human))
BDBM50019355
PNG
(1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...)
Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(OC)c1OC
Show InChI InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3
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n/an/a 6.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against CHO cells expressing the cloned human beta1 adrenergic receptor (AR) in the presence of [1...


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

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


(Homo sapiens (human))
BDBM50419703
PNG
(CHEMBL1945042)
Show SMILES O[C@@H](CNCCc1cccc(CNCc2ccccc2F)c1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C25H26FN3O3S/c26-20-7-2-1-6-18(20)14-28-13-17-5-3-4-16(12-17)10-11-27-15-22(31)19-8-9-21(30)23-24(19)33-25(32)29-23/h1-9,12,22,27-28,30-31H,10-11,13-15H2,(H,29,32)/t22-/m0/s1
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n/an/a 6.30n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodocyanopindolol from beta1 adrenoceptor


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


(Homo sapiens (human))
BDBM50070125
PNG
(CHEMBL276659 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C24H26N2O4/c27-21-10-12-23(13-11-21)30-17-22(28)16-25-15-14-18-6-8-20(9-7-18)26-24(29)19-4-2-1-3-5-19/h1-13,22,25,27-28H,14-17H2,(H,26,29)/t22-/m0/s1
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n/an/a 6.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


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

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


(Homo sapiens (human))
BDBM50419706
PNG
(CHEMBL1945296)
Show SMILES O[C@@H](CNCCCc1cccc(CNCCc2c(Cl)cccc2Cl)c1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C27H29Cl2N3O3S/c28-21-7-2-8-22(29)19(21)11-13-31-15-18-5-1-4-17(14-18)6-3-12-30-16-24(34)20-9-10-23(33)25-26(20)36-27(35)32-25/h1-2,4-5,7-10,14,24,30-31,33-34H,3,6,11-13,15-16H2,(H,32,35)/t24-/m0/s1
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n/an/a 7.90n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodocyanopindolol from beta1 adrenoceptor


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


(Homo sapiens (human))
BDBM50418958
PNG
(CHEMBL1807820)
Show SMILES O[C@@H](CNCCCSCCOCCc1cccc2ccccc12)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C26H30N2O4S2/c29-22-10-9-21(25-24(22)28-26(31)34-25)23(30)17-27-12-4-15-33-16-14-32-13-11-19-7-3-6-18-5-1-2-8-20(18)19/h1-3,5-10,23,27,29-30H,4,11-17H2,(H,28,31)/t23-/m0/s1
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n/an/a 7.90n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic beta1 receptor


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


(Homo sapiens (human))
BDBM50418946
PNG
(CHEMBL1807817)
Show SMILES O[C@@H](CNCCSCCCOCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C22H28N2O4S2/c25-18-8-7-17(21-20(18)24-22(27)30-21)19(26)15-23-10-14-29-13-4-11-28-12-9-16-5-2-1-3-6-16/h1-3,5-8,19,23,25-26H,4,9-15H2,(H,24,27)/t19-/m0/s1
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n/an/a 7.90n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic beta1 receptor


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


(Homo sapiens (human))
BDBM50418945
PNG
(CHEMBL1807818)
Show SMILES O[C@@H](CNCCCSCCOCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C22H28N2O4S2/c25-18-8-7-17(21-20(18)24-22(27)30-21)19(26)15-23-10-4-13-29-14-12-28-11-9-16-5-2-1-3-6-16/h1-3,5-8,19,23,25-26H,4,9-15H2,(H,24,27)/t19-/m0/s1
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n/an/a 7.90n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic beta1 receptor


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


(Homo sapiens (human))
BDBM50378930
PNG
(CHEMBL2011230)
Show SMILES O[C@@H](CNCCNC(=O)Nc1nnn(CCF)n1)COc1ccccc1C#N
Show InChI InChI=1S/C16H21FN8O3/c17-5-8-25-23-15(22-24-25)21-16(27)20-7-6-19-10-13(26)11-28-14-4-2-1-3-12(14)9-18/h1-4,13,19,26H,5-8,10-11H2,(H2,20,21,23,27)/t13-/m0/s1
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay


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


(Homo sapiens (human))
BDBM50419704
PNG
(CHEMBL1945289)
Show SMILES COc1ccc(CNCc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)sc34)c2)cc1
Show InChI InChI=1S/C26H29N3O4S/c1-33-20-7-5-18(6-8-20)14-28-15-19-4-2-3-17(13-19)11-12-27-16-23(31)21-9-10-22(30)24-25(21)34-26(32)29-24/h2-10,13,23,27-28,30-31H,11-12,14-16H2,1H3,(H,29,32)/t23-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodocyanopindolol from beta1 adrenoceptor


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


(Homo sapiens (human))
BDBM50070138
PNG
(4-{(S)-2-Hydroxy-3-[(S)-3-(4-methoxy-phenyl)-1-met...)
Show SMILES COc1ccc(CC[C@H](C)NC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C20H27NO4/c1-15(3-4-16-5-9-19(24-2)10-6-16)21-13-18(23)14-25-20-11-7-17(22)8-12-20/h5-12,15,18,21-23H,3-4,13-14H2,1-2H3/t15-,18-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as radioligand


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

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


(Homo sapiens (human))
BDBM50419682
PNG
(CHEMBL1945041)
Show SMILES O[C@@H](CNCCc1cccc(CNCc2ccccc2Cl)c1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C25H26ClN3O3S/c26-20-7-2-1-6-18(20)14-28-13-17-5-3-4-16(12-17)10-11-27-15-22(31)19-8-9-21(30)23-24(19)33-25(32)29-23/h1-9,12,22,27-28,30-31H,10-11,13-15H2,(H,29,32)/t22-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodocyanopindolol from beta1 adrenoceptor


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


(Homo sapiens (human))
BDBM50378933
PNG
(CHEMBL2011233)
Show SMILES O[C@@H](CNCCNC(=O)c1ccc(F)nc1)COc1ccccc1C#N
Show InChI InChI=1S/C18H19FN4O3/c19-17-6-5-14(10-23-17)18(25)22-8-7-21-11-15(24)12-26-16-4-2-1-3-13(16)9-20/h1-6,10,15,21,24H,7-8,11-12H2,(H,22,25)/t15-/m0/s1
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay


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


(Homo sapiens (human))
BDBM50419668
PNG
(CHEMBL1947157)
Show SMILES O[C@@H](CNCCc1cccc(CNCCc2c(Cl)cccc2Cl)c1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C26H27Cl2N3O3S/c27-20-5-2-6-21(28)18(20)10-12-29-14-17-4-1-3-16(13-17)9-11-30-15-23(33)19-7-8-22(32)24-25(19)35-26(34)31-24/h1-8,13,23,29-30,32-33H,9-12,14-15H2,(H,31,34)/t23-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodocyanopindolol from beta1 adrenoceptor


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


(Homo sapiens (human))
BDBM50070142
PNG
(4-{(S)-2-Hydroxy-3-[3-(4-methoxy-phenyl)-propylami...)
Show SMILES COc1ccc(CCCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C19H25NO4/c1-23-18-8-4-15(5-9-18)3-2-12-20-13-17(22)14-24-19-10-6-16(21)7-11-19/h4-11,17,20-22H,2-3,12-14H2,1H3/t17-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for agonist activity against cloned human beta-1 adrenergic receptor


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

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


(Homo sapiens (human))
BDBM50070149
PNG
(4-((3S)-3-{[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)pro...)
Show SMILES C[C@@H](CCc1ccc(O)cc1)NC[C@H](O)COc1ccc(O)cc1
Show InChI InChI=1S/C19H25NO4/c1-14(2-3-15-4-6-16(21)7-5-15)20-12-18(23)13-24-19-10-8-17(22)9-11-19/h4-11,14,18,20-23H,2-3,12-13H2,1H3/t14-,18-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


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

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


(Homo sapiens (human))
BDBM50096772
PNG
(CHEMBL123745 | Cyanoguanidine derivative)
Show SMILES CCCCCCCCc1csc(n1)N1CCc2cc(NC(Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)=NC#N)ccc12
Show InChI InChI=1S/C36H44N8OS/c1-2-3-4-5-6-7-10-32-25-46-36(43-32)44-21-18-28-22-31(15-16-33(28)44)42-35(40-26-37)41-30-13-11-27(12-14-30)17-20-39-24-34(45)29-9-8-19-38-23-29/h8-9,11-16,19,22-23,25,34,39,45H,2-7,10,17-18,20-21,24H2,1H3,(H2,40,41,42)/t34-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human Beta-1 adrenergic receptor using [125I]-iodocyanopindolol as radioligand in CHO cells


Bioorg Med Chem Lett 11: 379-82 (2001)

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


(Homo sapiens (human))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(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
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n/an/a 18n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Tested for Beta-1 adrenergic receptor selectivity in canine cardiac tissue in anesthetized dogs


J Med Chem 33: 2883-91 (1990)

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


(Homo sapiens (human))
BDBM50419663
PNG
(CHEMBL1945297)
Show SMILES CC(Cc1cccc(CNCCc2c(Cl)cccc2Cl)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C27H29Cl2N3O3S/c1-16(31-15-24(34)20-8-9-23(33)25-26(20)36-27(35)32-25)12-17-4-2-5-18(13-17)14-30-11-10-19-21(28)6-3-7-22(19)29/h2-9,13,16,24,30-31,33-34H,10-12,14-15H2,1H3,(H,32,35)/t16?,24-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodocyanopindolol from beta1 adrenoceptor


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


(Homo sapiens (human))
BDBM50419679
PNG
(CHEMBL1945037)
Show SMILES O[C@@H](CNCCc1cccc(CNCCCc2ccccc2)c1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C27H31N3O3S/c31-23-12-11-22(26-25(23)30-27(33)34-26)24(32)18-29-15-13-20-8-4-9-21(16-20)17-28-14-5-10-19-6-2-1-3-7-19/h1-4,6-9,11-12,16,24,28-29,31-32H,5,10,13-15,17-18H2,(H,30,33)/t24-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodocyanopindolol from beta1 adrenoceptor


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


(Homo sapiens (human))
BDBM50378932
PNG
(CHEMBL2011232)
Show SMILES O[C@@H](CNCCNC(=O)N1CCOCC1)COc1ccccc1C#N
Show InChI InChI=1S/C17H24N4O4/c18-11-14-3-1-2-4-16(14)25-13-15(22)12-19-5-6-20-17(23)21-7-9-24-10-8-21/h1-4,15,19,22H,5-10,12-13H2,(H,20,23)/t15-/m0/s1
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n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay


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


(Homo sapiens (human))
BDBM50378921
PNG
(CHEMBL2011220)
Show SMILES O[C@@H](CNCCNC(=O)Nc1ccc(cc1)C(O)=O)COc1cccc(F)c1C#N
Show InChI InChI=1S/C20H21FN4O5/c21-17-2-1-3-18(16(17)10-22)30-12-15(26)11-23-8-9-24-20(29)25-14-6-4-13(5-7-14)19(27)28/h1-7,15,23,26H,8-9,11-12H2,(H,27,28)(H2,24,25,29)/t15-/m0/s1
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n/an/a 21n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay


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


(Homo sapiens (human))
BDBM50070140
PNG
(CHEMBL13102 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-...)
Show SMILES CC(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C19H24N2O4/c1-14(22)21-16-4-2-15(3-5-16)10-11-20-12-18(24)13-25-19-8-6-17(23)7-9-19/h2-9,18,20,23-24H,10-13H2,1H3,(H,21,22)/t18-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


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

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


(Homo sapiens (human))
BDBM50378929
PNG
(CHEMBL2011229)
Show SMILES O[C@@H](CNCCNC(=O)Nc1nccs1)COc1ccccc1C#N
Show InChI InChI=1S/C16H19N5O3S/c17-9-12-3-1-2-4-14(12)24-11-13(22)10-18-5-6-19-15(23)21-16-20-7-8-25-16/h1-4,7-8,13,18,22H,5-6,10-11H2,(H2,19,20,21,23)/t13-/m0/s1
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n/an/a 26n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay


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


(Homo sapiens (human))
BDBM50119183
PNG
(1-[4-(4-{[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-prop...)
Show SMILES CCCCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CNC[C@H](O)COc2ccc(O)cc2)CC1
Show InChI InChI=1S/C30H46N4O6S/c1-2-3-4-5-6-7-18-32-30(37)33-25-8-14-29(15-9-25)41(38,39)34-19-16-24(17-20-34)21-31-22-27(36)23-40-28-12-10-26(35)11-13-28/h8-15,24,27,31,35-36H,2-7,16-23H2,1H3,(H2,32,33,37)/t27-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Compound was tested for the antagonistic activity against Beta-1 adrenergic receptor


Bioorg Med Chem Lett 12: 2957-61 (2002)

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


(Homo sapiens (human))
BDBM50367111
PNG
(CHEMBL305153)
Show SMILES CC(C)(C)NC[C@H](O)CON=C1c2ccccc2-c2ccccc12
Show InChI InChI=1S/C20H24N2O2/c1-20(2,3)21-12-14(23)13-24-22-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14,21,23H,12-13H2,1-3H3/t14-/m0/s1
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n/an/a 29.4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of [3H]dihydroalprenolol radioligand binding to Beta-1 adrenergic receptor in dog heart.


J Med Chem 25: 931-6 (1982)

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


(GUINEA PIG)
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(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
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n/an/a 35n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-1 adrenergic receptor in guinea pig atria is determined


J Med Chem 36: 3077-86 (1993)

More data for this
Ligand-Target Pair
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