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Compile Data Set for Download or QSAR

Found 505 hits Enz. Inhib. hit(s) with Target = 'Adrenergic receptor beta'   
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
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM81885
PNG
(2-(3-tert-Butylamino-2-hydroxypropylthio)-4-(5-car...)
Show SMILES CC(C)(C)NCC(O)CSc1nc(cs1)-c1ccc(s1)C(N)=O
Show InChI InChI=1S/C15H21N3O2S3/c1-15(2,3)17-6-9(19)7-21-14-18-10(8-22-14)11-4-5-12(23-11)13(16)20/h4-5,8-9,17,19H,6-7H2,1-3H3,(H2,16,20)
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0.180n/an/an/an/an/an/an/an/a



Niigata College of Pharmacy

Curated by PDSP Ki Database




Jpn J Pharmacol 52: 195-200 (1990)

More data for this
Ligand-Target Pair
ADRB2


(Rattus norvegicus)
BDBM50019443
PNG
(1-(1H-Indol-4-yloxy)-3-isopropylamino-propan-2-ol ...)
Show SMILES CC(C)NCC(O)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3
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0.320n/an/an/an/an/an/an/an/a



Niigata College of Pharmacy

Curated by PDSP Ki Database




Jpn J Pharmacol 52: 195-200 (1990)

More data for this
Ligand-Target Pair
ADRB2


(Rattus norvegicus)
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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0.460n/an/an/an/an/an/an/an/a



Niigata College of Pharmacy

Curated by PDSP Ki Database




Jpn J Pharmacol 52: 195-200 (1990)

More data for this
Ligand-Target Pair
ADRB2


(Rattus norvegicus)
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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0.5n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Italia

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 352: 276-82 (1995)

More data for this
Ligand-Target Pair
ADRB2


(Rattus norvegicus)
BDBM81885
PNG
(2-(3-tert-Butylamino-2-hydroxypropylthio)-4-(5-car...)
Show SMILES CC(C)(C)NCC(O)CSc1nc(cs1)-c1ccc(s1)C(N)=O
Show InChI InChI=1S/C15H21N3O2S3/c1-15(2,3)17-6-9(19)7-21-14-18-10(8-22-14)11-4-5-12(23-11)13(16)20/h4-5,8-9,17,19H,6-7H2,1-3H3,(H2,16,20)
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0.550n/an/an/an/an/an/an/an/a



Niigata College of Pharmacy

Curated by PDSP Ki Database




Jpn J Pharmacol 52: 195-200 (1990)

More data for this
Ligand-Target Pair
ADRB2


(Rattus norvegicus)
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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0.580n/an/an/an/an/an/an/an/a



Niigata College of Pharmacy

Curated by PDSP Ki Database




Jpn J Pharmacol 52: 195-200 (1990)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50019443
PNG
(1-(1H-Indol-4-yloxy)-3-isopropylamino-propan-2-ol ...)
Show SMILES CC(C)NCC(O)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3
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0.660n/an/an/an/an/an/an/an/a



Niigata College of Pharmacy

Curated by PDSP Ki Database




Jpn J Pharmacol 52: 195-200 (1990)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
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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0.690n/an/an/an/an/an/an/an/a



Niigata College of Pharmacy

Curated by PDSP Ki Database




Jpn J Pharmacol 52: 195-200 (1990)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM25759
PNG
(CHEMBL723 | Carvedilol | Coreg | Dilatrend | Eucar...)
Show SMILES COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
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0.810n/an/an/an/an/an/an/an/a



Rzeszów University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from beta1 adrenergic receptor in rat cerebral cortex by liquid scintillation method


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


(Rattus norvegicus (Rat))
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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1.10n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Italia

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 352: 276-82 (1995)

More data for this
Ligand-Target Pair
ADRB2


(Rattus norvegicus)
BDBM25768
PNG
(1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(pro...)
Show SMILES CC(C)NC(C)C(O)COc1ccc(C)c2CCCc12
Show InChI InChI=1S/C17H27NO2/c1-11(2)18-13(4)16(19)10-20-17-9-8-12(3)14-6-5-7-15(14)17/h8-9,11,13,16,18-19H,5-7,10H2,1-4H3
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1.78n/an/an/an/an/an/an/an/a



Niigata College of Pharmacy

Curated by PDSP Ki Database




Jpn J Pharmacol 52: 195-200 (1990)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50267197
PNG
((2S)-1-(1H-Indol-4-yloxy)-3-{[2-(2-methoxyphenoxy)...)
Show SMILES COc1ccccc1OCCNC[C@H](O)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C20H24N2O4/c1-24-19-6-2-3-7-20(19)25-12-11-21-13-15(23)14-26-18-8-4-5-17-16(18)9-10-22-17/h2-10,15,21-23H,11-14H2,1H3/t15-/m0/s1
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2n/an/an/an/an/an/an/an/a



Rzeszów University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from beta1 adrenergic receptor in rat cerebral cortex by liquid scintillation method


Citation and Details
More data for this
Ligand-Target Pair
ADRB2


(Rattus norvegicus)
BDBM81886
PNG
(CAS_3506-09-0 | CHEMBL287651 | PROPRANOLOL, dl)
Show SMILES CC(C)CNCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C17H23NO2/c1-13(2)10-18-11-15(19)12-20-17-9-5-7-14-6-3-4-8-16(14)17/h3-9,13,15,18-19H,10-12H2,1-2H3
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2.45n/an/an/an/an/an/an/an/a



Niigata College of Pharmacy

Curated by PDSP Ki Database




Jpn J Pharmacol 52: 195-200 (1990)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM81886
PNG
(CAS_3506-09-0 | CHEMBL287651 | PROPRANOLOL, dl)
Show SMILES CC(C)CNCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C17H23NO2/c1-13(2)10-18-11-15(19)12-20-17-9-5-7-14-6-3-4-8-16(14)17/h3-9,13,15,18-19H,10-12H2,1-2H3
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2.82n/an/an/an/an/an/an/an/a



Niigata College of Pharmacy

Curated by PDSP Ki Database




Jpn J Pharmacol 52: 195-200 (1990)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
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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3n/an/an/an/an/an/an/an/a



The Medical University of Warsaw



Assay Description
Radioligand receptor binding studies were conducted in the rat brain.


Medicinal Chemistry Research 17: 507-514 (2008)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50267196
PNG
((+/-)1-(1H-indol-4-yloxy)-3-(2-(2-methoxyphenoxy)e...)
Show SMILES COc1ccccc1OCCNCC(O)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C20H24N2O4/c1-24-19-6-2-3-7-20(19)25-12-11-21-13-15(23)14-26-18-8-4-5-17-16(18)9-10-22-17/h2-10,15,21-23H,11-14H2,1H3
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3n/an/an/an/an/an/an/an/a



Rzeszów University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from beta1 adrenergic receptor in rat cerebral cortex by liquid scintillation method


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


(Rattus norvegicus (Rat))
BDBM50255223
PNG
(4-(3N-(2-Amino-2-methyl-1,3-dihydroxypropyl)-2-hyd...)
Show SMILES CC(CO)(CO)NCC(O)COc1cccc2c1oc1ccccc1c2=O
Show InChI InChI=1S/C20H23NO6/c1-20(11-22,12-23)21-9-13(24)10-26-17-8-4-6-15-18(25)14-5-2-3-7-16(14)27-19(15)17/h2-8,13,21-24H,9-12H2,1H3
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4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from beta1 adrenergic receptor in rat cerebral cortex by liquid scintillation counting


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


(Rattus norvegicus (Rat))
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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4.17n/an/an/an/an/an/an/an/a



Niigata College of Pharmacy

Curated by PDSP Ki Database




Jpn J Pharmacol 52: 195-200 (1990)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM81882
PNG
(CAS_93633-92-2 | YM-09538)
Show SMILES COc1ccccc1OCCNCC(O)c1ccc(C)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C18H24N2O5S/c1-13-7-8-14(11-18(13)26(19,22)23)15(21)12-20-9-10-25-17-6-4-3-5-16(17)24-2/h3-8,11,15,20-21H,9-10,12H2,1-2H3,(H2,19,22,23)
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4.37n/an/an/an/an/an/an/an/a



Niigata College of Pharmacy

Curated by PDSP Ki Database




Jpn J Pharmacol 52: 195-200 (1990)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50086666
PNG
(8-(3-tert-Butylamino-2-hydroxy-propoxy)-4-{3-[4-(2...)
Show SMILES COc1ccccc1N1CCN(CCCN2C(=O)CSc3c(OCC(O)CNC(C)(C)C)cccc23)CC1
Show InChI InChI=1S/C29H42N4O4S/c1-29(2,3)30-19-22(34)20-37-26-12-7-10-24-28(26)38-21-27(35)33(24)14-8-13-31-15-17-32(18-16-31)23-9-5-6-11-25(23)36-4/h5-7,9-12,22,30,34H,8,13-21H2,1-4H3
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5.30n/an/an/an/an/an/an/an/a



Università di Perugia

Curated by ChEMBL


Assay Description
Compound was evaluated for its Beta-1 adrenergic receptor binding affinity by measuring the displacement of [3H]-dihydroalprenolol binding in rat hea...


Bioorg Med Chem Lett 10: 465-8 (2000)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50240370
PNG
(1-(2-(allyloxy)phenoxy)-3-(isopropylamino)propan-2...)
Show SMILES CC(C)NCC(O)COc1ccccc1OCC=C
Show InChI InChI=1S/C15H23NO3/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3/h4-8,12-13,16-17H,1,9-11H2,2-3H3
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7.76n/an/an/an/an/an/an/an/a



Niigata College of Pharmacy

Curated by PDSP Ki Database




Jpn J Pharmacol 52: 195-200 (1990)

More data for this
Ligand-Target Pair
ADRB2


(Rattus norvegicus)
BDBM50240370
PNG
(1-(2-(allyloxy)phenoxy)-3-(isopropylamino)propan-2...)
Show SMILES CC(C)NCC(O)COc1ccccc1OCC=C
Show InChI InChI=1S/C15H23NO3/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3/h4-8,12-13,16-17H,1,9-11H2,2-3H3
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9.77n/an/an/an/an/an/an/an/a



Niigata College of Pharmacy

Curated by PDSP Ki Database




Jpn J Pharmacol 52: 195-200 (1990)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50255803
PNG
(5-(3N-(2-Amino-2-methyl-1-hydroxypropyl)-2-hydroxy...)
Show SMILES CC(C)(CO)NCC(O)COc1cccc2c1oc1cc(Cl)ccc1c2=O
Show InChI InChI=1S/C20H22ClNO5/c1-20(2,11-23)22-9-13(24)10-26-16-5-3-4-15-18(25)14-7-6-12(21)8-17(14)27-19(15)16/h3-8,13,22-24H,9-11H2,1-2H3
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11n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from beta1 adrenergic receptor in rat cerebral cortex by liquid scintillation counting


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


(Rattus norvegicus (Rat))
BDBM25758
PNG
(2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amin...)
Show SMILES CC(CCc1ccccc1)NCC(O)c1ccc(O)c(c1)C(N)=O
Show InChI InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)
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PubMed
12.0n/an/an/an/an/an/an/an/a



Niigata College of Pharmacy

Curated by PDSP Ki Database




Jpn J Pharmacol 52: 195-200 (1990)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM25752
PNG
(Betaxolol | Levobetaxolol | [(2S)-3-{4-[2-(cyclopr...)
Show SMILES CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1
Show InChI InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3/t17-/m0/s1
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12.3n/an/an/an/an/an/an/an/a



Niigata College of Pharmacy

Curated by PDSP Ki Database




Jpn J Pharmacol 52: 195-200 (1990)

More data for this
Ligand-Target Pair
ADRB2


(Rattus norvegicus)
BDBM81882
PNG
(CAS_93633-92-2 | YM-09538)
Show SMILES COc1ccccc1OCCNCC(O)c1ccc(C)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C18H24N2O5S/c1-13-7-8-14(11-18(13)26(19,22)23)15(21)12-20-9-10-25-17-6-4-3-5-16(17)24-2/h3-8,11,15,20-21H,9-10,12H2,1-2H3,(H2,19,22,23)
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13.2n/an/an/an/an/an/an/an/a



Niigata College of Pharmacy

Curated by PDSP Ki Database




Jpn J Pharmacol 52: 195-200 (1990)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM81881
PNG
(l-Metoprolol)
Show SMILES COCCc1ccc(OC[C@@H](O)CNC(C)C)cc1
Show InChI InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3/t14-/m0/s1
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13.8n/an/an/an/an/an/an/an/a



Niigata College of Pharmacy

Curated by PDSP Ki Database




Jpn J Pharmacol 52: 195-200 (1990)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50086673
PNG
(8-(3-tert-Butylamino-2-hydroxy-propoxy)-4H-benzo[1...)
Show SMILES CC(C)(C)NCC(O)COc1cccc2NC(=O)CSc12
Show InChI InChI=1S/C15H22N2O3S/c1-15(2,3)16-7-10(18)8-20-12-6-4-5-11-14(12)21-9-13(19)17-11/h4-6,10,16,18H,7-9H2,1-3H3,(H,17,19)
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20n/an/an/an/an/an/an/an/a



Università di Perugia

Curated by ChEMBL


Assay Description
Compound was evaluated for its Beta-1 adrenergic receptor binding affinity by measuring the displacement of [3H]-dihydroalprenolol binding in rat hea...


Bioorg Med Chem Lett 10: 465-8 (2000)

More data for this
Ligand-Target Pair
ADRB2


(Rattus norvegicus)
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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43.6n/an/an/an/an/an/an/an/a



Niigata College of Pharmacy

Curated by PDSP Ki Database




Jpn J Pharmacol 52: 195-200 (1990)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50255804
PNG
(5-(3N-(2-Amino-2-methyl-1,3-dihydroxypropyl)-2-hyd...)
Show SMILES CC(CO)(CO)NCC(O)COc1cccc2c1oc1cc(Cl)ccc1c2=O
Show InChI InChI=1S/C20H22ClNO6/c1-20(10-23,11-24)22-8-13(25)9-27-16-4-2-3-15-18(26)14-6-5-12(21)7-17(14)28-19(15)16/h2-7,13,22-25H,8-11H2,1H3
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47n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from beta1 adrenergic receptor in rat cerebral cortex by liquid scintillation counting


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


(Rattus norvegicus (Rat))
BDBM50036835
PNG
(1-(3,4-Dichloro-phenyl)-2-isopropylamino-ethanol |...)
Show SMILES CC(C)NCC(O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C11H15Cl2NO/c1-7(2)14-6-11(15)8-3-4-9(12)10(13)5-8/h3-5,7,11,14-15H,6H2,1-2H3
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51n/an/an/an/an/an/an/an/a



Universitá di Pisa

Curated by ChEMBL


Assay Description
Binding affinity against beta1-adrenergic receptor in rat brain


J Med Chem 37: 1518-25 (1994)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50007477
PNG
(4-(3-tert-Butylamino-2-hydroxy-propoxy)-3-fluoro-b...)
Show SMILES CC(C)(C)NCC(O)COc1ccc(O)c(O)c1F
Show InChI InChI=1S/C13H20FNO4/c1-13(2,3)15-6-8(16)7-19-10-5-4-9(17)12(18)11(10)14/h4-5,8,15-18H,6-7H2,1-3H3
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60n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of binding of [3H]-dihydroalprenolol from beta-1 adrenergic receptor of rat cerebral cortical membranes


J Med Chem 34: 1063-8 (1991)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM25756
PNG
((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Show SMILES COCCc1ccc(OCC(O)CNC(C)C)cc1
Show InChI InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3
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63.1n/an/an/an/an/an/an/an/a



Niigata College of Pharmacy

Curated by PDSP Ki Database




Jpn J Pharmacol 52: 195-200 (1990)

More data for this
Ligand-Target Pair
ADRB2


(Rattus norvegicus)
BDBM25758
PNG
(2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amin...)
Show SMILES CC(CCc1ccccc1)NCC(O)c1ccc(O)c(c1)C(N)=O
Show InChI InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)
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67.6n/an/an/an/an/an/an/an/a



Niigata College of Pharmacy

Curated by PDSP Ki Database




Jpn J Pharmacol 52: 195-200 (1990)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50352113
PNG
(CHEMBL1824263)
Show SMILES COc1ccc2nc(-c3ccc(OCC(O)CNC(C)(C)C)cc3)n(C)c(=O)c2c1
Show InChI InChI=1S/C23H29N3O4/c1-23(2,3)24-13-16(27)14-30-17-8-6-15(7-9-17)21-25-20-11-10-18(29-5)12-19(20)22(28)26(21)4/h6-12,16,24,27H,13-14H2,1-5H3
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77n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP12177 from beta1-adrenergic receptor in rat heart membranes


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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80n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Tested for binding affinity against beta-1 adrenergic receptor in rat brain using [3H]-CGP- 26505 as radioligand


J Med Chem 36: 3077-86 (1993)

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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80n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Compound was evaluated for beta adrenergic binding affinity towards Beta-1 adrenergic receptor of rat brain


J Med Chem 35: 1009-18 (1992)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
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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81.3n/an/an/an/an/an/an/an/a



Niigata College of Pharmacy

Curated by PDSP Ki Database




Jpn J Pharmacol 52: 195-200 (1990)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50255222
PNG
(4-(3-(Allylamino)-2-hydroxypropoxy)-9H-xanthen-9-o...)
Show SMILES OC(CNCC=C)COc1cccc2c1oc1ccccc1c2=O
Show InChI InChI=1S/C19H19NO4/c1-2-10-20-11-13(21)12-23-17-9-5-7-15-18(22)14-6-3-4-8-16(14)24-19(15)17/h2-9,13,20-21H,1,10-12H2
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84n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from beta1 adrenergic receptor in rat cerebral cortex by liquid scintillation counting


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


(Rattus norvegicus (Rat))
BDBM25753
PNG
(2-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl...)
Show SMILES CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
Show InChI InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
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97.7n/an/an/an/an/an/an/an/a



Niigata College of Pharmacy

Curated by PDSP Ki Database




Jpn J Pharmacol 52: 195-200 (1990)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50007476
PNG
(4-(3-tert-Butylamino-2-hydroxy-propoxy)-benzene-1,...)
Show SMILES CC(C)(C)NCC(O)COc1ccc(O)c(O)c1
Show InChI InChI=1S/C13H21NO4/c1-13(2,3)14-7-9(15)8-18-10-4-5-11(16)12(17)6-10/h4-6,9,14-17H,7-8H2,1-3H3
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120n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of binding of [3H]-dihydroalprenolol from beta-1 adrenergic receptor of rat cerebral cortical membranes


J Med Chem 34: 1063-8 (1991)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM25755
PNG
(Acebutolol | Acetobutolol | N-{3-acetyl-4-[2-hydro...)
Show SMILES CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(c1)C(C)=O
Show InChI InChI=1S/C18H28N2O4/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23)
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126n/an/an/an/an/an/an/an/a



Niigata College of Pharmacy

Curated by PDSP Ki Database




Jpn J Pharmacol 52: 195-200 (1990)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50029051
PNG
((-)-arterenol | (-)-noradrenaline | (-)-norepineph...)
Show SMILES NC[C@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
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126n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Tested for binding affinity against beta-1 adrenergic receptor in rat brain using [3H]-CGP- 26505 as radioligand


J Med Chem 36: 3077-86 (1993)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50029051
PNG
((-)-arterenol | (-)-noradrenaline | (-)-norepineph...)
Show SMILES NC[C@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
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126n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Compound was evaluated for beta adrenergic binding affinity towards Beta-1 adrenergic receptor of rat brain


J Med Chem 35: 1009-18 (1992)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50087518
PNG
((R)4-(2-Amino-1-hydroxy-ethyl)-3-fluoro-benzene-1,...)
Show SMILES NC[C@H](O)c1ccc(O)c(O)c1F
Show InChI InChI=1S/C8H10FNO3/c9-7-4(6(12)3-10)1-2-5(11)8(7)13/h1-2,6,11-13H,3,10H2/t6-/m0/s1
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130n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding of [3H]-dihydroalprenolol to beta-1 adrenergic receptor of rat cerebral cortical membranes


J Med Chem 43: 1611-9 (2000)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50267198
PNG
((2R)-1-(1H-Indol-4-yloxy)-3-{[2-(2-methoxyphenoxy)...)
Show SMILES COc1ccccc1OCCNC[C@@H](O)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C20H24N2O4/c1-24-19-6-2-3-7-20(19)25-12-11-21-13-15(23)14-26-18-8-4-5-17-16(18)9-10-22-17/h2-10,15,21-23H,11-14H2,1H3/t15-/m1/s1
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143n/an/an/an/an/an/an/an/a



Rzeszów University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from beta1 adrenergic receptor in rat cerebral cortex by liquid scintillation method


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


(Rattus norvegicus (Rat))
BDBM25768
PNG
(1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(pro...)
Show SMILES CC(C)NC(C)C(O)COc1ccc(C)c2CCCc12
Show InChI InChI=1S/C17H27NO2/c1-11(2)18-13(4)16(19)10-20-17-9-8-12(3)14-6-5-7-15(14)17/h8-9,11,13,16,18-19H,5-7,10H2,1-4H3
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195n/an/an/an/an/an/an/an/a



Niigata College of Pharmacy

Curated by PDSP Ki Database




Jpn J Pharmacol 52: 195-200 (1990)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50019060
PNG
((+/-)4-(2-Amino-1-hydroxy-ethyl)-3-fluoro-benzene-...)
Show SMILES NCC(O)c1ccc(O)c(O)c1F
Show InChI InChI=1S/C8H10FNO3/c9-7-4(6(12)3-10)1-2-5(11)8(7)13/h1-2,6,11-13H,3,10H2
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210n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding of [3H]-dihydroalprenolol to beta-1 adrenergic receptor of rat cerebral cortical membranes


J Med Chem 43: 1611-9 (2000)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM25749
PNG
(CHEMBL6995 | N-{4-[2-hydroxy-3-(propan-2-ylamino)p...)
Show SMILES CC(C)NCC(O)COc1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C14H22N2O3/c1-10(2)15-8-13(18)9-19-14-6-4-12(5-7-14)16-11(3)17/h4-7,10,13,15,18H,8-9H2,1-3H3,(H,16,17)
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245n/an/an/an/an/an/an/an/a



Niigata College of Pharmacy

Curated by PDSP Ki Database




Jpn J Pharmacol 52: 195-200 (1990)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50086670
PNG
(8-{2-Hydroxy-3-[4-(2-methoxy-phenyl)-piperazin-1-y...)
Show SMILES COc1ccccc1N1CCN(CC(O)COc2cccc3NC(=O)CSc23)CC1
Show InChI InChI=1S/C22H27N3O4S/c1-28-19-7-3-2-6-18(19)25-11-9-24(10-12-25)13-16(26)14-29-20-8-4-5-17-22(20)30-15-21(27)23-17/h2-8,16,26H,9-15H2,1H3,(H,23,27)
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330n/an/an/an/an/an/an/an/a



Università di Perugia

Curated by ChEMBL


Assay Description
Compound was evaluated for its Beta-1 adrenergic receptor binding affinity by measuring the displacement of [3H]-dihydroalprenolol binding in rat hea...


Bioorg Med Chem Lett 10: 465-8 (2000)

More data for this
Ligand-Target Pair
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