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Compile Data Set for Download or QSAR

Found 10898 hits Enz. Inhib. hit(s) with Target = 'Adrenergic receptor'   
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


(GUINEA PIG)
BDBM50404774
PNG
(CHEMBL31857)
Show SMILES CCOC(=O)CCCNCC(O)COc1ccccc1C
Show InChI InChI=1S/C16H25NO4/c1-3-20-16(19)9-6-10-17-11-14(18)12-21-15-8-5-4-7-13(15)2/h4-5,7-8,14,17-18H,3,6,9-12H2,1-2H3
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n/an/an/a 0.00000100n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vivo inihibition of Beta-1 adrenergic receptor in guinea pig right atria after 40 min


J Med Chem 25: 1402-7 (1983)


Article DOI: 10.1021/jm00354a002
BindingDB Entry DOI: 10.7270/Q2WQ0500
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50404791
PNG
(CHEMBL31025)
Show SMILES COC(=O)CCc1ccc(OCC(O)CNC(C)(C)C)cc1
Show InChI InChI=1S/C17H27NO4/c1-17(2,3)18-11-14(19)12-22-15-8-5-13(6-9-15)7-10-16(20)21-4/h5-6,8-9,14,18-19H,7,10-12H2,1-4H3
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n/an/an/a 0.00000100n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to block Beta-1 adrenergic receptor in guinea pig right atria preparation at a duration of 3h


J Med Chem 25: 1408-12 (1983)


Article DOI: 10.1021/jm00354a003
BindingDB Entry DOI: 10.7270/Q2S183PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50404790
PNG
(CHEMBL13284)
Show SMILES COC(=O)c1ccccc1OCC(O)CNC(C)C
Show InChI InChI=1S/C14H21NO4/c1-10(2)15-8-11(16)9-19-13-7-5-4-6-12(13)14(17)18-3/h4-7,10-11,15-16H,8-9H2,1-3H3
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n/an/an/a 0.00000100n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to block Beta-1 adrenergic receptor in guinea pig right atria preparation at a duration of 40 min


J Med Chem 25: 1408-12 (1983)


Article DOI: 10.1021/jm00354a003
BindingDB Entry DOI: 10.7270/Q2S183PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50404790
PNG
(CHEMBL13284)
Show SMILES COC(=O)c1ccccc1OCC(O)CNC(C)C
Show InChI InChI=1S/C14H21NO4/c1-10(2)15-8-11(16)9-19-13-7-5-4-6-12(13)14(17)18-3/h4-7,10-11,15-16H,8-9H2,1-3H3
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n/an/an/a 0.00000100n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to block Beta-1 adrenergic receptor in guinea pig right atria preparation at a duration of 3h


J Med Chem 25: 1408-12 (1983)


Article DOI: 10.1021/jm00354a003
BindingDB Entry DOI: 10.7270/Q2S183PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50404763
PNG
(CHEMBL283289)
Show SMILES CCOC(=O)CCNCC(O)COc1ccccc1C
Show InChI InChI=1S/C15H23NO4/c1-3-19-15(18)8-9-16-10-13(17)11-20-14-7-5-4-6-12(14)2/h4-7,13,16-17H,3,8-11H2,1-2H3
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n/an/an/a 0.0000100n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vivo inihibition of Beta-1 adrenergic receptor in guinea pig right atria after 40 min


J Med Chem 25: 1402-7 (1983)


Article DOI: 10.1021/jm00354a002
BindingDB Entry DOI: 10.7270/Q2WQ0500
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50404793
PNG
(CHEMBL31638)
Show SMILES COC(=O)CCc1ccc(OCC(O)CNCCc2ccc(OC)c(OC)c2)cc1
Show InChI InChI=1S/C23H31NO6/c1-27-21-10-6-18(14-22(21)28-2)12-13-24-15-19(25)16-30-20-8-4-17(5-9-20)7-11-23(26)29-3/h4-6,8-10,14,19,24-25H,7,11-13,15-16H2,1-3H3
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n/an/an/a 0.0000100n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to block Beta-1 adrenergic receptor in guinea pig right atria preparation at a duration of 3h


J Med Chem 25: 1408-12 (1983)


Article DOI: 10.1021/jm00354a003
BindingDB Entry DOI: 10.7270/Q2S183PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50404796
PNG
(Brevibloc | ESMOLOL)
Show SMILES COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1
Show InChI InChI=1S/C16H25NO4/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3
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n/an/an/a 0.00100n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to block Beta-1 adrenergic receptor in guinea pig right atria preparation at a duration of 40 min


J Med Chem 25: 1408-12 (1983)


Article DOI: 10.1021/jm00354a003
BindingDB Entry DOI: 10.7270/Q2S183PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50404804
PNG
(CHEMBL13365)
Show SMILES COC(=O)c1ccccc1OCC(O)CNC(C)(C)C
Show InChI InChI=1S/C15H23NO4/c1-15(2,3)16-9-11(17)10-20-13-8-6-5-7-12(13)14(18)19-4/h5-8,11,16-17H,9-10H2,1-4H3
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n/an/an/a 0.00100n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to block Beta-1 adrenergic receptor in guinea pig right atria preparation at a duration of 40 min


J Med Chem 25: 1408-12 (1983)


Article DOI: 10.1021/jm00354a003
BindingDB Entry DOI: 10.7270/Q2S183PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50404796
PNG
(Brevibloc | ESMOLOL)
Show SMILES COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1
Show InChI InChI=1S/C16H25NO4/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3
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n/an/an/a 0.00100n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to block Beta-1 adrenergic receptor in guinea pig right atria preparation at a duration of 3h


J Med Chem 25: 1408-12 (1983)


Article DOI: 10.1021/jm00354a003
BindingDB Entry DOI: 10.7270/Q2S183PB
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224533
PNG
(CHEMBL12555)
Show SMILES COc1ccc(OCC(O)CNC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COCC(C)N)cc1
Show InChI InChI=1S/C31H58N2O9/c1-22(32)14-36-16-24(3)38-18-26(5)40-20-28(7)41-19-27(6)39-17-25(4)37-15-23(2)33-13-29(34)21-42-31-11-9-30(35-8)10-12-31/h9-12,22-29,33-34H,13-21,32H2,1-8H3
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n/an/an/a 0.00285n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards rat beta adrenergic receptor from heart membranes.


J Med Chem 26: 7-11 (1983)


Article DOI: 10.1021/jm00355a002
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50422862
PNG
(125I-CYP | CHEMBL210309)
Show SMILES CC(C)(C)NCC(O)COc1cccc2[nH]c(C#N)c(I)c12
Show InChI InChI=1S/C16H20IN3O2/c1-16(2,3)19-8-10(21)9-22-13-6-4-5-11-14(13)15(17)12(7-18)20-11/h4-6,10,19-21H,8-9H2,1-3H3
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n/an/an/a 0.0631n/an/an/an/an/a



The University of Melbourne

Curated by ChEMBL


Assay Description
Antagonist activity at rat beta-1 adrenergic receptor W134A mutant expressed in CHO cells


J Med Chem 49: 3467-77 (2006)


Article DOI: 10.1021/jm050624l
BindingDB Entry DOI: 10.7270/Q2NC62H4
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50422862
PNG
(125I-CYP | CHEMBL210309)
Show SMILES CC(C)(C)NCC(O)COc1cccc2[nH]c(C#N)c(I)c12
Show InChI InChI=1S/C16H20IN3O2/c1-16(2,3)19-8-10(21)9-22-13-6-4-5-11-14(13)15(17)12(7-18)20-11/h4-6,10,19-21H,8-9H2,1-3H3
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n/an/an/a 0.0631n/an/an/an/an/a



The University of Melbourne

Curated by ChEMBL


Assay Description
Antagonist activity at rat wild type beta-1 adrenergic receptor expressed in CHO cells


J Med Chem 49: 3467-77 (2006)


Article DOI: 10.1021/jm050624l
BindingDB Entry DOI: 10.7270/Q2NC62H4
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50422862
PNG
(125I-CYP | CHEMBL210309)
Show SMILES CC(C)(C)NCC(O)COc1cccc2[nH]c(C#N)c(I)c12
Show InChI InChI=1S/C16H20IN3O2/c1-16(2,3)19-8-10(21)9-22-13-6-4-5-11-14(13)15(17)12(7-18)20-11/h4-6,10,19-21H,8-9H2,1-3H3
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n/an/an/a 0.0631n/an/an/an/an/a



The University of Melbourne

Curated by ChEMBL


Assay Description
Antagonist activity at rat beta-1 adrenergic receptor S190A mutant expressed in CHO cells


J Med Chem 49: 3467-77 (2006)


Article DOI: 10.1021/jm050624l
BindingDB Entry DOI: 10.7270/Q2NC62H4
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50422862
PNG
(125I-CYP | CHEMBL210309)
Show SMILES CC(C)(C)NCC(O)COc1cccc2[nH]c(C#N)c(I)c12
Show InChI InChI=1S/C16H20IN3O2/c1-16(2,3)19-8-10(21)9-22-13-6-4-5-11-14(13)15(17)12(7-18)20-11/h4-6,10,19-21H,8-9H2,1-3H3
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n/an/an/a 0.0794n/an/an/an/an/a



The University of Melbourne

Curated by ChEMBL


Assay Description
Antagonist activity at rat beta-1 adrenergic receptor Y356F mutant expressed in CHO cells


J Med Chem 49: 3467-77 (2006)


Article DOI: 10.1021/jm050624l
BindingDB Entry DOI: 10.7270/Q2NC62H4
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50404789
PNG
(CHEMBL30622)
Show SMILES CCOC(=O)CCNCC(O)COc1ccccc1C(=O)OC
Show InChI InChI=1S/C16H23NO6/c1-3-22-15(19)8-9-17-10-12(18)11-23-14-7-5-4-6-13(14)16(20)21-2/h4-7,12,17-18H,3,8-11H2,1-2H3
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n/an/an/a 0.100n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to block Beta-1 adrenergic receptor in guinea pig right atria preparation at a duration of 3h


J Med Chem 25: 1408-12 (1983)


Article DOI: 10.1021/jm00354a003
BindingDB Entry DOI: 10.7270/Q2S183PB
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224529
PNG
(CHEMBL275500)
Show SMILES CC(COCC(C)N(CC(O)COc1cccc2ccccc12)CC(O)COc1cccc2ccccc12)OCC(C)OCC(C)N(CC(O)COc1cccc2ccccc12)CC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C64H76N2O11/c1-45(65(33-53(67)41-74-61-29-13-21-49-17-5-9-25-57(49)61)34-54(68)42-75-62-30-14-22-50-18-6-10-26-58(50)62)37-71-39-47(3)73-40-48(4)72-38-46(2)66(35-55(69)43-76-63-31-15-23-51-19-7-11-27-59(51)63)36-56(70)44-77-64-32-16-24-52-20-8-12-28-60(52)64/h5-32,45-48,53-56,67-70H,33-44H2,1-4H3
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n/an/an/a 0.103n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards rat beta adrenergic receptor from lung membranes.


J Med Chem 26: 7-11 (1983)


Article DOI: 10.1021/jm00355a002
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50405625
PNG
(CHEMBL304344)
Show SMILES O[C@H](COc1cccc2ccccc12)[C@@H]1CCCCN1
Show InChI InChI=1S/C17H21NO2/c19-16(15-9-3-4-11-18-15)12-20-17-10-5-7-13-6-1-2-8-14(13)17/h1-2,5-8,10,15-16,18-19H,3-4,9,11-12H2/t15-,16+/m0/s1
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n/an/an/a 0.151n/an/an/an/an/a



Universidad de Barcelona

Curated by ChEMBL


Assay Description
Beta-1 adrenergic receptor activitation measured by isoprenaline-induced positive inotropic effect in guinea pig left atrium


J Med Chem 31: 2122-6 (1988)


Article DOI: 10.1021/jm00119a011
BindingDB Entry DOI: 10.7270/Q2J67J4Q
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50405526
PNG
(CHEMBL543955)
Show SMILES CC(C)NCC(O)COc1ccc(CCOCC2CCC2)cc1
Show InChI InChI=1S/C19H31NO3/c1-15(2)20-12-18(21)14-23-19-8-6-16(7-9-19)10-11-22-13-17-4-3-5-17/h6-9,15,17-18,20-21H,3-5,10-14H2,1-2H3
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n/an/an/a 0.275n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Cardioselectivity for the beta-1 adrenergic receptor was determined against isoprenaline (antagonism) in isolated rat atria


J Med Chem 30: 1003-11 (1987)


Article DOI: 10.1021/jm00389a008
BindingDB Entry DOI: 10.7270/Q2251KC9
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50405526
PNG
(CHEMBL543955)
Show SMILES CC(C)NCC(O)COc1ccc(CCOCC2CCC2)cc1
Show InChI InChI=1S/C19H31NO3/c1-15(2)20-12-18(21)14-23-19-8-6-16(7-9-19)10-11-22-13-17-4-3-5-17/h6-9,15,17-18,20-21H,3-5,10-14H2,1-2H3
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n/an/an/a 0.282n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity was determined against beta-1 adrenergic receptor in spontaneously beating rat atria


J Med Chem 30: 1003-11 (1987)


Article DOI: 10.1021/jm00389a008
BindingDB Entry DOI: 10.7270/Q2251KC9
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50422862
PNG
(125I-CYP | CHEMBL210309)
Show SMILES CC(C)(C)NCC(O)COc1cccc2[nH]c(C#N)c(I)c12
Show InChI InChI=1S/C16H20IN3O2/c1-16(2,3)19-8-10(21)9-22-13-6-4-5-11-14(13)15(17)12(7-18)20-11/h4-6,10,19-21H,8-9H2,1-3H3
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n/an/an/a 0.316n/an/an/an/an/a



The University of Melbourne

Curated by ChEMBL


Assay Description
Antagonist activity at rat beta-1 adrenergic receptor Y356A mutant expressed in CHO cells


J Med Chem 49: 3467-77 (2006)


Article DOI: 10.1021/jm050624l
BindingDB Entry DOI: 10.7270/Q2NC62H4
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM25746
PNG
(2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...)
Show SMILES Cn1cc(nc1-c1ccc(OCC(O)CNCCOc2ccc(O)c(c2)C(N)=O)cc1)C(F)(F)F
Show InChI InChI=1S/C23H25F3N4O5/c1-30-12-20(23(24,25)26)29-22(30)14-2-4-16(5-3-14)35-13-15(31)11-28-8-9-34-17-6-7-19(32)18(10-17)21(27)33/h2-7,10,12,15,28,31-32H,8-9,11,13H2,1H3,(H2,27,33)
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n/an/an/a 0.331n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta1 adrenoceptor expressed in CHOK1 cells assessed as inhibition of cimaterol-induced [3H]cAMP accumulation incubated ...


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))
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/a 0.331n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta1 adrenoceptor expressed in CHOK1 cells assessed as inhibition of cimaterol-induced [3H]cAMP accumulation incubated ...


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


(GUINEA PIG)
BDBM50292219
PNG
((-)-3-morpholino-4-(3-tert-butylamino-2-hydroxypro...)
Show SMILES CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1
Show InChI InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/t10-/m0/s1
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n/an/an/a 0.363n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...


J Med Chem 29: 1065-80 (1986)


Article DOI: 10.1021/jm00156a028
BindingDB Entry DOI: 10.7270/Q2BP0408
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50292219
PNG
((-)-3-morpholino-4-(3-tert-butylamino-2-hydroxypro...)
Show SMILES CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1
Show InChI InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/t10-/m0/s1
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n/an/an/a 0.363n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...


J Med Chem 26: 950-7 (1983)


Article DOI: 10.1021/jm00361a004
BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50241366
PNG
((S)-1-(isopropylamino)-3-(m-tolyloxy)propan-2-ol |...)
Show SMILES CC(C)NC[C@H](O)COc1cccc(C)c1
Show InChI InChI=1S/C13H21NO2/c1-10(2)14-8-12(15)9-16-13-6-4-5-11(3)7-13/h4-7,10,12,14-15H,8-9H2,1-3H3/t12-/m0/s1
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n/an/an/a 0.380n/an/an/an/an/a



Centre for Addiction and Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to beta-1 adrenergic receptor


J Med Chem 51: 5093-100 (2008)


Article DOI: 10.1021/jm800227h
BindingDB Entry DOI: 10.7270/Q2NZ87GC
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50405522
PNG
(CHEMBL267375 | CHEMBL542536)
Show SMILES CC(C)NCC(O)COc1ccc(CCOC2CCCC2)cc1
Show InChI InChI=1S/C19H31NO3/c1-15(2)20-13-17(21)14-23-19-9-7-16(8-10-19)11-12-22-18-5-3-4-6-18/h7-10,15,17-18,20-21H,3-6,11-14H2,1-2H3
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n/an/an/a 0.501n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity was determined against beta-1 adrenergic receptor in spontaneously beating rat atria


J Med Chem 30: 1003-11 (1987)


Article DOI: 10.1021/jm00389a008
BindingDB Entry DOI: 10.7270/Q2251KC9
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM25747
PNG
(4-[3-(tert-butylamino)-2-hydroxypropoxy]-2,3-dihyd...)
Show SMILES CC(C)(C)NCC(O)COc1cccc2[nH]c(=O)[nH]c12
Show InChI InChI=1S/C14H21N3O3/c1-14(2,3)15-7-9(18)8-20-11-6-4-5-10-12(11)17-13(19)16-10/h4-6,9,15,18H,7-8H2,1-3H3,(H2,16,17,19)
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n/an/an/a 0.620n/an/an/a7.437



University of Nottingham



Assay Description
The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...


Br J Pharmacol 144: 317-22 (2005)


Article DOI: 10.1038/sj.bjp.0706048
BindingDB Entry DOI: 10.7270/Q28C9TKV
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM69602
PNG
(2,3-dihydro-1,4-benzodioxin-3-ylmethyl-[2-(2,6-dim...)
Show SMILES COc1cccc(OC)c1OCCNCC1COc2ccccc2O1
Show InChI InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3
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n/an/an/a 0.631n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to alpha-adrenergic receptor (unknown origin) in central nervous system


J Med Chem 22: 1125-7 (1979)


Article DOI: 10.1021/jm00195a024
BindingDB Entry DOI: 10.7270/Q2P270NP
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
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/a 0.700n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Beta adrenergic receptor in C6-2B astrocytoma cells, using [125I]-iodohydroxybenzylpindolol-benzylpindolol([125I]-HYP)


J Med Chem 24: 1211-4 (1981)


Article DOI: 10.1021/jm00142a017
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50404980
PNG
(CHEMBL1788320)
Show SMILES COc1ccc(CCNC[C@H](O)COc2ccc(cc2)-c2nc(c[nH]2)-c2cccs2)cc1OC
Show InChI InChI=1S/C26H29N3O4S/c1-31-23-10-5-18(14-24(23)32-2)11-12-27-15-20(30)17-33-21-8-6-19(7-9-21)26-28-16-22(29-26)25-4-3-13-34-25/h3-10,13-14,16,20,27,30H,11-12,15,17H2,1-2H3,(H,28,29)/t20-/m0/s1
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n/an/an/a 0.851n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...


J Med Chem 26: 950-7 (1983)


Article DOI: 10.1021/jm00361a004
BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50404977
PNG
(CHEMBL11671)
Show SMILES COc1ccc(CCNCC(O)COc2ccc(cc2)-c2nc(c[nH]2)-c2cccs2)cc1OC
Show InChI InChI=1S/C26H29N3O4S/c1-31-23-10-5-18(14-24(23)32-2)11-12-27-15-20(30)17-33-21-8-6-19(7-9-21)26-28-16-22(29-26)25-4-3-13-34-25/h3-10,13-14,16,20,27,30H,11-12,15,17H2,1-2H3,(H,28,29)
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n/an/an/a 0.851n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...


J Med Chem 29: 1065-80 (1986)


Article DOI: 10.1021/jm00156a028
BindingDB Entry DOI: 10.7270/Q2BP0408
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50404978
PNG
(CHEMBL173424)
Show SMILES OC(CNC1CC1)COc1ccc(cc1)-c1ncc([nH]1)C(F)(F)F
Show InChI InChI=1S/C16H18F3N3O2/c17-16(18,19)14-8-21-15(22-14)10-1-5-13(6-2-10)24-9-12(23)7-20-11-3-4-11/h1-2,5-6,8,11-12,20,23H,3-4,7,9H2,(H,21,22)
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n/an/an/a 0.851n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...


J Med Chem 26: 950-7 (1983)


Article DOI: 10.1021/jm00361a004
BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50404987
PNG
(CHEMBL3085291)
Show SMILES CC(C)(C)NC[C@H](O)COc1ccc(cc1)-c1nc(c[nH]1)C(F)(F)F
Show InChI InChI=1S/C17H22F3N3O2/c1-16(2,3)22-8-12(24)10-25-13-6-4-11(5-7-13)15-21-9-14(23-15)17(18,19)20/h4-7,9,12,22,24H,8,10H2,1-3H3,(H,21,23)/t12-/m0/s1
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n/an/an/a 0.891n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...


J Med Chem 26: 950-7 (1983)


Article DOI: 10.1021/jm00361a004
BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
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/a 0.933n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...


J Med Chem 29: 1065-80 (1986)


Article DOI: 10.1021/jm00156a028
BindingDB Entry DOI: 10.7270/Q2BP0408
More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50232757
PNG
(CHEMBL4092412)
Show SMILES CC(C)(C)NC[C@@H](O)COc1ccccc1-c1ccccc1
Show InChI InChI=1S/C19H25NO2/c1-19(2,3)20-13-16(21)14-22-18-12-8-7-11-17(18)15-9-5-4-6-10-15/h4-12,16,20-21H,13-14H2,1-3H3/t16-/m1/s1
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n/an/an/a 0.977n/an/an/an/an/a



Philipps-University Marburg

Curated by ChEMBL


Assay Description
Displacement of [3H](-)CGP12177 from human beta1-AR expressed in CHOK1 cells after 2 hrs by TopCount microscintillation counting method


ACS Med Chem Lett 8: 481-485 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00363
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50026816
PNG
(CHEMBL3335523)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)Nc4ccc(OC(C)=O)c(c4)[N+]([O-])=O)cc3)nc12
Show InChI InChI=1S/C31H35N9O9/c1-3-33-29(45)26-24(43)25(44)30(49-26)39-15-35-23-27(32)37-31(38-28(23)39)34-13-12-18-6-4-17(5-7-18)8-11-22(42)36-19-9-10-21(48-16(2)41)20(14-19)40(46)47/h4-7,9-10,14-15,24-26,30,43-44H,3,8,11-13H2,1-2H3,(H,33,45)(H,36,42)(H3,32,34,37,38)/t24-,25+,26-,30+/m0/s1
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n/an/an/a 1n/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]4-[2-[7-amino-2-(2-furyl)-1,2,4-triazolo[1,5-a][1,3,5]triazin-5-yl-amino]ethylphenol from human adenosine A2a receptor K150A muta...


ACS Med Chem Lett 5: 1043-8 (2014)


Article DOI: 10.1021/ml5002486
BindingDB Entry DOI: 10.7270/Q2VD712G
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/a 1n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta1 adrenoceptor expressed in CHOK1 cells assessed as inhibition of cimaterol-induced [3H]cAMP accumulation incubated ...


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
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224552
PNG
(CHEMBL265726)
Show SMILES CC(COCC(C)N(CC(O)COc1ccccc1CC=C)CC(O)COc1ccccc1CC=C)OCC(C)OCC(C)N(CC(O)COc1ccccc1CC=C)CC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C60H84N2O11/c1-9-21-49-25-13-17-29-57(49)70-41-53(63)33-61(34-54(64)42-71-58-30-18-14-26-50(58)22-10-2)45(5)37-67-39-47(7)69-40-48(8)68-38-46(6)62(35-55(65)43-72-59-31-19-15-27-51(59)23-11-3)36-56(66)44-73-60-32-20-16-28-52(60)24-12-4/h9-20,25-32,45-48,53-56,63-66H,1-4,21-24,33-44H2,5-8H3
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n/an/an/a>1n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards rat beta adrenergic receptor from heart membranes.


J Med Chem 26: 7-11 (1983)


Article DOI: 10.1021/jm00355a002
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224552
PNG
(CHEMBL265726)
Show SMILES CC(COCC(C)N(CC(O)COc1ccccc1CC=C)CC(O)COc1ccccc1CC=C)OCC(C)OCC(C)N(CC(O)COc1ccccc1CC=C)CC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C60H84N2O11/c1-9-21-49-25-13-17-29-57(49)70-41-53(63)33-61(34-54(64)42-71-58-30-18-14-26-50(58)22-10-2)45(5)37-67-39-47(7)69-40-48(8)68-38-46(6)62(35-55(65)43-72-59-31-19-15-27-51(59)23-11-3)36-56(66)44-73-60-32-20-16-28-52(60)24-12-4/h9-20,25-32,45-48,53-56,63-66H,1-4,21-24,33-44H2,5-8H3
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n/an/an/a>1n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards rat beta adrenergic receptor from lung membranes.


J Med Chem 26: 7-11 (1983)


Article DOI: 10.1021/jm00355a002
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224525
PNG
(CHEMBL383864)
Show SMILES COCCc1ccc(OCC(O)CN(CC(O)COc2ccc(CCOC)cc2)C(C)COCC(C)OCC(C)OCC(C)N(CC(O)COc2ccc(CCOC)cc2)CC(O)COc2ccc(CCOC)cc2)cc1
Show InChI InChI=1S/C60H92N2O15/c1-45(61(33-53(63)41-74-57-17-9-49(10-18-57)25-29-67-5)34-54(64)42-75-58-19-11-50(12-20-58)26-30-68-6)37-71-39-47(3)73-40-48(4)72-38-46(2)62(35-55(65)43-76-59-21-13-51(14-22-59)27-31-69-7)36-56(66)44-77-60-23-15-52(16-24-60)28-32-70-8/h9-24,45-48,53-56,63-66H,25-44H2,1-8H3
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n/an/an/a>1n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards rat beta adrenergic receptor from lung membranes.


J Med Chem 26: 7-11 (1983)


Article DOI: 10.1021/jm00355a002
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224531
PNG
(CHEMBL12630)
Show SMILES COc1ccc(OCC(O)CN(CC(O)COc2ccc(OC)cc2)C(C)COCC(C)OCC(C)OCC(C)N(CC(O)COc2ccc(OC)cc2)CC(O)COc2ccc(OC)cc2)cc1
Show InChI InChI=1S/C52H76N2O15/c1-37(53(25-41(55)33-66-49-17-9-45(59-5)10-18-49)26-42(56)34-67-50-19-11-46(60-6)12-20-50)29-63-31-39(3)65-32-40(4)64-30-38(2)54(27-43(57)35-68-51-21-13-47(61-7)14-22-51)28-44(58)36-69-52-23-15-48(62-8)16-24-52/h9-24,37-44,55-58H,25-36H2,1-8H3
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n/an/an/a>1n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards rat beta adrenergic receptor from heart membranes.


J Med Chem 26: 7-11 (1983)


Article DOI: 10.1021/jm00355a002
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224531
PNG
(CHEMBL12630)
Show SMILES COc1ccc(OCC(O)CN(CC(O)COc2ccc(OC)cc2)C(C)COCC(C)OCC(C)OCC(C)N(CC(O)COc2ccc(OC)cc2)CC(O)COc2ccc(OC)cc2)cc1
Show InChI InChI=1S/C52H76N2O15/c1-37(53(25-41(55)33-66-49-17-9-45(59-5)10-18-49)26-42(56)34-67-50-19-11-46(60-6)12-20-50)29-63-31-39(3)65-32-40(4)64-30-38(2)54(27-43(57)35-68-51-21-13-47(61-7)14-22-51)28-44(58)36-69-52-23-15-48(62-8)16-24-52/h9-24,37-44,55-58H,25-36H2,1-8H3
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n/an/an/a>1n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards rat beta adrenergic receptor from lung membranes.


J Med Chem 26: 7-11 (1983)


Article DOI: 10.1021/jm00355a002
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224525
PNG
(CHEMBL383864)
Show SMILES COCCc1ccc(OCC(O)CN(CC(O)COc2ccc(CCOC)cc2)C(C)COCC(C)OCC(C)OCC(C)N(CC(O)COc2ccc(CCOC)cc2)CC(O)COc2ccc(CCOC)cc2)cc1
Show InChI InChI=1S/C60H92N2O15/c1-45(61(33-53(63)41-74-57-17-9-49(10-18-57)25-29-67-5)34-54(64)42-75-58-19-11-50(12-20-58)26-30-68-6)37-71-39-47(3)73-40-48(4)72-38-46(2)62(35-55(65)43-76-59-21-13-51(14-22-59)27-31-69-7)36-56(66)44-77-60-23-15-52(16-24-60)28-32-70-8/h9-24,45-48,53-56,63-66H,25-44H2,1-8H3
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n/an/an/a>1n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards rat beta adrenergic receptor from heart membranes.


J Med Chem 26: 7-11 (1983)


Article DOI: 10.1021/jm00355a002
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50226716
PNG
(CHEMBL348176)
Show SMILES CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1cccc2[nH]c(cc12)C#N
Show InChI InChI=1S/C24H33BrN4O3/c1-23(2,29-22(31)12-25)16-7-9-24(3,10-8-16)27-14-18(30)15-32-21-6-4-5-20-19(21)11-17(13-26)28-20/h4-6,11,16,18,27-28,30H,7-10,12,14-15H2,1-3H3,(H,29,31)
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n/an/an/a 1n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding to human erythrocyte carbonic anhydrase was determined by fluorescence competition assay employing the fluorescent CA inhibitor dans...


J Med Chem 30: 612-5 (1987)


Article DOI: 10.1021/jm00387a005
More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM25746
PNG
(2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...)
Show SMILES Cn1cc(nc1-c1ccc(OCC(O)CNCCOc2ccc(O)c(c2)C(N)=O)cc1)C(F)(F)F
Show InChI InChI=1S/C23H25F3N4O5/c1-30-12-20(23(24,25)26)29-22(30)14-2-4-16(5-3-14)35-13-15(31)11-28-8-9-34-17-6-7-19(32)18(10-17)21(27)33/h2-7,10,12,15,28,31-32H,8-9,11,13H2,1H3,(H2,27,33)
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n/an/an/a 1.10n/an/an/an/an/a



Philipps-University Marburg

Curated by ChEMBL


Assay Description
Displacement of [3H](-)CGP12177 from human beta1-AR expressed in CHOK1 cells after 2 hrs by TopCount microscintillation counting method


ACS Med Chem Lett 8: 481-485 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00363
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50404988
PNG
(CHEMBL11171)
Show SMILES CC(C)NCC(O)COc1ccc(cc1)-c1nc(c[nH]1)-c1cccs1
Show InChI InChI=1S/C19H23N3O2S/c1-13(2)20-10-15(23)12-24-16-7-5-14(6-8-16)19-21-11-17(22-19)18-4-3-9-25-18/h3-9,11,13,15,20,23H,10,12H2,1-2H3,(H,21,22)
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n/an/an/a 1.20n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...


J Med Chem 26: 950-7 (1983)


Article DOI: 10.1021/jm00361a004
BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50404988
PNG
(CHEMBL11171)
Show SMILES CC(C)NCC(O)COc1ccc(cc1)-c1nc(c[nH]1)-c1cccs1
Show InChI InChI=1S/C19H23N3O2S/c1-13(2)20-10-15(23)12-24-16-7-5-14(6-8-16)19-21-11-17(22-19)18-4-3-9-25-18/h3-9,11,13,15,20,23H,10,12H2,1-2H3,(H,21,22)
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n/an/an/a 1.20n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...


J Med Chem 29: 1065-80 (1986)


Article DOI: 10.1021/jm00156a028
BindingDB Entry DOI: 10.7270/Q2BP0408
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50226719
PNG
(CHEMBL156754)
Show SMILES CC(C)(NCC(O)COc1cccc2[nH]c(cc12)C#N)C1CCC(C)(CC1)NC(=O)CBr
Show InChI InChI=1S/C24H33BrN4O3/c1-23(2,16-7-9-24(3,10-8-16)29-22(31)12-25)27-14-18(30)15-32-21-6-4-5-20-19(21)11-17(13-26)28-20/h4-6,11,16,18,27-28,30H,7-10,12,14-15H2,1-3H3,(H,29,31)
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n/an/an/a 1.20n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against purified human erythrocyte carbonic anhydrase II was determined (acetozolamide used as control.)


J Med Chem 30: 612-5 (1987)


Article DOI: 10.1021/jm00387a005
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/a 1.24n/an/an/a7.437



University of Nottingham



Assay Description
The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...


Br J Pharmacol 144: 317-22 (2005)


Article DOI: 10.1038/sj.bjp.0706048
BindingDB Entry DOI: 10.7270/Q28C9TKV
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50225367
PNG
(BROMOACETYL ALPRENOLOL MENTHANE | Bromoacetyl Alpr...)
Show SMILES CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C24H37BrN2O3/c1-5-8-18-9-6-7-10-21(18)30-17-20(28)16-26-24(4)13-11-19(12-14-24)23(2,3)27-22(29)15-25/h5-7,9-10,19-20,26,28H,1,8,11-17H2,2-4H3,(H,27,29)
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n/an/an/a 1.30n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant against beta adrenergic receptor using [3H]dihydroalprenolol in rat lung tissue at 1*10e-7 concentration


J Med Chem 28: 1699-703 (1985)


Article DOI: 10.1021/jm00149a028
More data for this
Ligand-Target Pair
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