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Compile Data Set for Download or QSAR

Found 42 hits Enz. Inhib. hit(s) with Target = 'Adrenergic receptor beta' AND taxid = 9606   
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
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50187377
PNG
(CHEMBL209821 | N-(3-(4-(4-(cyclohexylmethylsulfona...)
Show SMILES CC(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)CC2CCCCC2)CC1
Show InChI InChI=1S/C23H38N4O3S/c1-20(28)25-22-10-7-11-23(18-22)27-16-14-26(15-17-27)13-6-5-12-24-31(29,30)19-21-8-3-2-4-9-21/h7,10-11,18,21,24H,2-6,8-9,12-17,19H2,1H3,(H,25,28)
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>2.00E+3n/an/an/an/an/an/an/an/a



Predix Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to beta adrenergic receptor by radioligand binding assay


J Med Chem 49: 3116-35 (2006)


Article DOI: 10.1021/jm0508641
BindingDB Entry DOI: 10.7270/Q2319VHC
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM35254
PNG
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against neuronal Beta adrenergic receptor


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50289292
PNG
(2-Methyl-10-(4-methyl-4-oxy-piperazin-1-yl)-4H-3-t...)
Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CC[N+](C)([O-])CC2)s1
Show InChI InChI=1S/C17H20N4OS/c1-12-11-13-16(20-7-9-21(2,22)10-8-20)18-14-5-3-4-6-15(14)19-17(13)23-12/h3-6,11,19H,7-10H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against neuronal Beta adrenergic receptor


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50005833
PNG
((exo)4-Amino-5-chloro-N-(hexahydro-pyrrolizin-1-yl...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CCN2CCC[C@@H]12
Show InChI InChI=1S/C16H22ClN3O2/c1-22-15-8-13(18)12(17)7-11(15)16(21)19-9-10-4-6-20-5-2-3-14(10)20/h7-8,10,14H,2-6,9,18H2,1H3,(H,19,21)/t10-,14-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for Beta adrenergic receptor binding


Bioorg Med Chem Lett 14: 3073-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.021
BindingDB Entry DOI: 10.7270/Q25T3JX9
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50240701
PNG
(2-Methyl-10-piperazin-1-yl-4H-3-thia-4,9-diaza-ben...)
Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1
Show InChI InChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against neuronal Beta adrenergic receptor


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50289291
PNG
(2-Hydroxy-methylolanzapine | CHEMBL100454 | [10-(4...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(CO)cc12
Show InChI InChI=1S/C17H20N4OS/c1-20-6-8-21(9-7-20)16-13-10-12(11-22)23-17(13)19-15-5-3-2-4-14(15)18-16/h2-5,10,19,22H,6-9,11H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II...


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50212981
PNG
(CHEMBL543099 | SR-59062A)
Show SMILES Cl.CCOC(=O)CCc1ccc2CC[C@H](Cc2c1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H28ClNO3.ClH/c1-2-28-23(27)11-7-16-6-8-17-9-10-21(14-19(17)12-16)25-15-22(26)18-4-3-5-20(24)13-18;/h3-6,8,12-13,21-22,25-26H,2,7,9-11,14-15H2,1H3;1H/t21-,22+;/m1./s1
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n/an/a 0.900n/an/an/an/an/an/a


TBA

Assay Description
Beta-adrenergic agonistic activity in rat proximal colon in presence of phentolamine (10 uM), desmethylimipramine (0.5 uM) and hydrocortisone (30 uM)


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


(Rattus norvegicus (Rat))
BDBM50212980
PNG
(CHEMBL553039 | SR-58997A)
Show SMILES Cl.CCOC(=O)CCc1ccc2CC[C@@H](Cc2c1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H28ClNO3.ClH/c1-2-28-23(27)11-7-16-6-8-17-9-10-21(14-19(17)12-16)25-15-22(26)18-4-3-5-20(24)13-18;/h3-6,8,12-13,21-22,25-26H,2,7,9-11,14-15H2,1H3;1H/t21-,22-;/m0./s1
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n/an/a 1.10n/an/an/an/an/an/a


TBA

Assay Description
Beta-adrenergic agonistic activity in rat proximal colon in presence of phentolamine (10 uM), desmethylimipramine (0.5 uM) and hydrocortisone (30 uM)


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


(Homo sapiens (Human)-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 2.30n/an/an/an/an/an/a



Nippon Roche Research Center, 200 Kajiwara, Kamakura, 247-8530, Kanagawa, Japan.

Curated by ChEMBL


Assay Description
Compound was evaluated for its Beta adrenergic receptor blocking action


Bioorg Med Chem Lett 11: 1833-7 (2001)


Article DOI: 10.1016/s0960-894x(01)00319-5
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50212977
PNG
(AMIBEGRON HYDROCHLORIDE | Amibegron HCl | SR-58611...)
Show SMILES Cl.CCOC(=O)COc1ccc2CC[C@@H](Cc2c1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C22H26ClNO4.ClH/c1-2-27-22(26)14-28-20-9-7-15-6-8-19(11-17(15)12-20)24-13-21(25)16-4-3-5-18(23)10-16;/h3-5,7,9-10,12,19,21,24-25H,2,6,8,11,13-14H2,1H3;1H/t19-,21-;/m0./s1
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n/an/a 3.5n/an/an/an/an/an/a


TBA

Assay Description
Beta-adrenergic agonistic activity in rat proximal colon in presence of phentolamine (10 uM), desmethylimipramine (0.5 uM) and hydrocortisone (30 uM)


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


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50218691
PNG
(CHEMBL51667)
Show SMILES CCOC(=O)c1oc2cccc(OCC(O)CNC(C)(C)C)c2c1C
Show InChI InChI=1S/C19H27NO5/c1-6-23-18(22)17-12(2)16-14(8-7-9-15(16)25-17)24-11-13(21)10-20-19(3,4)5/h7-9,13,20-21H,6,10-11H2,1-5H3
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n/an/a 4.30n/an/an/an/an/an/a



Nippon Roche Research Center, 200 Kajiwara, Kamakura, 247-8530, Kanagawa, Japan.

Curated by ChEMBL


Assay Description
Compound was evaluated for its Beta adrenergic receptor blocking action


Bioorg Med Chem Lett 11: 1833-7 (2001)


Article DOI: 10.1016/s0960-894x(01)00319-5
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50212979
PNG
(CHEMBL543333)
Show SMILES Cl.CCOC(=O)CCc1ccc2CCC(Cc2c1)NCC(O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H28ClNO3.ClH/c1-2-28-23(27)11-7-16-6-8-17-9-10-21(14-19(17)12-16)25-15-22(26)18-4-3-5-20(24)13-18;/h3-6,8,12-13,21-22,25-26H,2,7,9-11,14-15H2,1H3;1H
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n/an/a 21n/an/an/an/an/an/a


TBA

Assay Description
Beta-adrenergic agonistic activity in rat proximal colon


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


(Rattus norvegicus (Rat))
BDBM50212977
PNG
(AMIBEGRON HYDROCHLORIDE | Amibegron HCl | SR-58611...)
Show SMILES Cl.CCOC(=O)COc1ccc2CC[C@@H](Cc2c1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C22H26ClNO4.ClH/c1-2-27-22(26)14-28-20-9-7-15-6-8-19(11-17(15)12-20)24-13-21(25)16-4-3-5-18(23)10-16;/h3-5,7,9-10,12,19,21,24-25H,2,6,8,11,13-14H2,1H3;1H/t19-,21-;/m0./s1
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n/an/a 47n/an/an/an/an/an/a


TBA

Assay Description
Beta-adrenergic agonistic activity in rat proximal colon


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


(Rattus norvegicus (Rat))
BDBM50212978
PNG
(CHEMBL541542)
Show SMILES Cl.CCOC(=O)c1ccc2CCC(Cc2c1)NCC(O)c1cccc(Cl)c1
Show InChI InChI=1S/C21H24ClNO3.ClH/c1-2-26-21(25)16-7-6-14-8-9-19(12-17(14)10-16)23-13-20(24)15-4-3-5-18(22)11-15;/h3-7,10-11,19-20,23-24H,2,8-9,12-13H2,1H3;1H
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n/an/a 90n/an/an/an/an/an/a


TBA

Assay Description
Beta-adrenergic agonistic activity in rat proximal colon


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


(Homo sapiens (Human)-Homo sapiens (human))
BDBM96235
PNG
(4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-c...)
Show SMILES CCOC(=O)c1oc2cccc(OCC(O)CNC(C)C)c2c1C
Show InChI InChI=1S/C18H25NO5/c1-5-22-18(21)17-12(4)16-14(7-6-8-15(16)24-17)23-10-13(20)9-19-11(2)3/h6-8,11,13,19-20H,5,9-10H2,1-4H3
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n/an/a 98n/an/an/an/an/an/a



Nippon Roche Research Center, 200 Kajiwara, Kamakura, 247-8530, Kanagawa, Japan.

Curated by ChEMBL


Assay Description
Compound was evaluated for its Beta adrenergic receptor blocking action


Bioorg Med Chem Lett 11: 1833-7 (2001)


Article DOI: 10.1016/s0960-894x(01)00319-5
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50212978
PNG
(CHEMBL541542)
Show SMILES Cl.CCOC(=O)c1ccc2CCC(Cc2c1)NCC(O)c1cccc(Cl)c1
Show InChI InChI=1S/C21H24ClNO3.ClH/c1-2-26-21(25)16-7-6-14-8-9-19(12-17(14)10-16)23-13-20(24)15-4-3-5-18(22)11-15;/h3-7,10-11,19-20,23-24H,2,8-9,12-13H2,1H3;1H
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n/an/a 185n/an/an/an/an/an/a


TBA

Assay Description
Beta-adrenergic agonistic activity in rat uterus preincubated with phenoxybenzamine (12 uM) for 30 min


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


(Rattus norvegicus (Rat))
BDBM50212980
PNG
(CHEMBL553039 | SR-58997A)
Show SMILES Cl.CCOC(=O)CCc1ccc2CC[C@@H](Cc2c1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H28ClNO3.ClH/c1-2-28-23(27)11-7-16-6-8-17-9-10-21(14-19(17)12-16)25-15-22(26)18-4-3-5-20(24)13-18;/h3-6,8,12-13,21-22,25-26H,2,7,9-11,14-15H2,1H3;1H/t21-,22-;/m0./s1
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n/an/a 319n/an/an/an/an/an/a


TBA

Assay Description
Beta-adrenergic agonistic activity in rat uterus preincubated with phenoxybenzamine (12 uM) for 30 min


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


(Rattus norvegicus (Rat))
BDBM50212979
PNG
(CHEMBL543333)
Show SMILES Cl.CCOC(=O)CCc1ccc2CCC(Cc2c1)NCC(O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H28ClNO3.ClH/c1-2-28-23(27)11-7-16-6-8-17-9-10-21(14-19(17)12-16)25-15-22(26)18-4-3-5-20(24)13-18;/h3-6,8,12-13,21-22,25-26H,2,7,9-11,14-15H2,1H3;1H
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n/an/a 350n/an/an/an/an/an/a


TBA

Assay Description
Beta-adrenergic agonistic activity in rat uterus preincubated with phenoxybenzamine (12 uM) for 30 min


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


(Rattus norvegicus (Rat))
BDBM50212981
PNG
(CHEMBL543099 | SR-59062A)
Show SMILES Cl.CCOC(=O)CCc1ccc2CC[C@H](Cc2c1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H28ClNO3.ClH/c1-2-28-23(27)11-7-16-6-8-17-9-10-21(14-19(17)12-16)25-15-22(26)18-4-3-5-20(24)13-18;/h3-6,8,12-13,21-22,25-26H,2,7,9-11,14-15H2,1H3;1H/t21-,22+;/m1./s1
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n/an/a 480n/an/an/an/an/an/a


TBA

Assay Description
Beta-adrenergic agonistic activity in rat uterus preincubated with phenoxybenzamine (12 uM) for 30 min


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


(Rattus norvegicus (Rat))
BDBM50212977
PNG
(AMIBEGRON HYDROCHLORIDE | Amibegron HCl | SR-58611...)
Show SMILES Cl.CCOC(=O)COc1ccc2CC[C@@H](Cc2c1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C22H26ClNO4.ClH/c1-2-27-22(26)14-28-20-9-7-15-6-8-19(11-17(15)12-20)24-13-21(25)16-4-3-5-18(23)10-16;/h3-5,7,9-10,12,19,21,24-25H,2,6,8,11,13-14H2,1H3;1H/t19-,21-;/m0./s1
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n/an/a 499n/an/an/an/an/an/a


TBA

Assay Description
Beta-adrenergic agonistic activity in rat uterus preincubated with phenoxybenzamine (12 uM) for 30 min


Citation and Details
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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n/an/a 500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for beta2-adrenergic blocking effect by measuring the ability to inhibit the relaxing effect of epinephrine on the isolated tracheal muscle of...


Bioorg Med Chem Lett 7: 1273-1274 (1997)


Article DOI: 10.1016/S0960-894X(97)00207-2
BindingDB Entry DOI: 10.7270/Q2SX6D7F
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50212977
PNG
(AMIBEGRON HYDROCHLORIDE | Amibegron HCl | SR-58611...)
Show SMILES Cl.CCOC(=O)COc1ccc2CC[C@@H](Cc2c1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C22H26ClNO4.ClH/c1-2-27-22(26)14-28-20-9-7-15-6-8-19(11-17(15)12-20)24-13-21(25)16-4-3-5-18(23)10-16;/h3-5,7,9-10,12,19,21,24-25H,2,6,8,11,13-14H2,1H3;1H/t19-,21-;/m0./s1
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n/an/a 1.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Beta-adrenergic agonistic activity in rat uterus preincubated with phenoxybenzamine (12 uM) for 30 min


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


(Rattus norvegicus (Rat))
BDBM50289372
PNG
((S)-1,1-Difluoro-3-isopropylamino-1-[4-(2-methoxy-...)
Show SMILES COCCc1ccc(OC(F)(F)[C@@H](O)CNC(C)C)cc1
Show InChI InChI=1S/C15H23F2NO3/c1-11(2)18-10-14(19)15(16,17)21-13-6-4-12(5-7-13)8-9-20-3/h4-7,11,14,18-19H,8-10H2,1-3H3/t14-/m0/s1
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n/an/a 1.54E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for beta1-adrenergic blocking effect by measuring the ability to inhibit the positive inotropic effect of isoproterenol on the isolated right ...


Bioorg Med Chem Lett 7: 1273-1274 (1997)


Article DOI: 10.1016/S0960-894X(97)00207-2
BindingDB Entry DOI: 10.7270/Q2SX6D7F
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50289986
PNG
(4-Amino-N-(1-aza-tricyclo[3.3.1.0*3,7*]non-4-yl)-5...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1C2CC3CN(CC13)C2
Show InChI InChI=1S/C16H20ClN3O2/c1-22-14-4-13(18)12(17)3-10(14)16(21)19-15-9-2-8-5-20(6-9)7-11(8)15/h3-4,8-9,11,15H,2,5-7,18H2,1H3,(H,19,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against Beta adrenergic receptor


Bioorg Med Chem Lett 7: 2149-2154 (1997)


Article DOI: 10.1016/S0960-894X(97)00408-3
BindingDB Entry DOI: 10.7270/Q27S7NSJ
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50155152
PNG
(4-Amino-N-(1-aza-tricyclo[3.3.1.1*3,7*]dec-4-yl)-5...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1C2CC3CC1CN(C3)C2
Show InChI InChI=1S/C17H22ClN3O2/c1-23-15-5-14(19)13(18)4-12(15)17(22)20-16-10-2-9-3-11(16)8-21(6-9)7-10/h4-5,9-11,16H,2-3,6-8,19H2,1H3,(H,20,22)/t9?,10?,11?,16-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Concentration required for inhibition of beta adrenergic receptor


Bioorg Med Chem Lett 14: 5509-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.005
BindingDB Entry DOI: 10.7270/Q2NV9K0K
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50005836
PNG
(4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...)
Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Concentration required for inhibition of beta adrenergic receptor


Bioorg Med Chem Lett 14: 5509-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.005
BindingDB Entry DOI: 10.7270/Q2NV9K0K
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50284690
PNG
(1-(4-{3-[(E)-2-(5-Fluoro-benzothiazol-2-yl)-vinyl]...)
Show SMILES Cc1nc2cnccc2n1-c1ccc(OCc2cccc(\C=C\c3nc4cc(F)ccc4s3)c2)cc1
Show InChI InChI=1S/C29H21FN4OS/c1-19-32-26-17-31-14-13-27(26)34(19)23-7-9-24(10-8-23)35-18-21-4-2-3-20(15-21)5-12-29-33-25-16-22(30)6-11-28(25)36-29/h2-17H,18H2,1H3/b12-5+
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against Beta adrenergic receptor


Bioorg Med Chem Lett 5: 1377-1382 (1995)


Article DOI: 10.1016/0960-894X(95)00227-K
BindingDB Entry DOI: 10.7270/Q2M045D5
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50181836
PNG
(4-Amino-N-(1-aza-tricyclo[3.3.1.0*3,7*]non-4-yl)-5...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1C2CC3CN(CC13)C2
Show InChI InChI=1S/C16H20ClN3O2/c1-22-14-4-13(18)12(17)3-10(14)16(21)19-15-9-2-8-5-20(6-9)7-11(8)15/h3-4,8-9,11,15H,2,5-7,18H2,1H3,(H,19,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Concentration required for inhibition of beta adrenergic receptor


Bioorg Med Chem Lett 14: 5509-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.005
BindingDB Entry DOI: 10.7270/Q2NV9K0K
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50155153
PNG
(4-Amino-N-(1-aza-tricyclo[3.3.1.1*3,7*]dec-4-ylmet...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1C2CC3CC1CN(C3)C2
Show InChI InChI=1S/C18H24ClN3O2/c1-24-17-5-16(20)15(19)4-13(17)18(23)21-6-14-11-2-10-3-12(14)9-22(7-10)8-11/h4-5,10-12,14H,2-3,6-9,20H2,1H3,(H,21,23)/t10?,11?,12?,14-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Concentration required for inhibition of beta adrenergic receptor


Bioorg Med Chem Lett 14: 5509-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.005
BindingDB Entry DOI: 10.7270/Q2NV9K0K
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50009073
PNG
(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against Beta adrenergic receptor


Bioorg Med Chem Lett 5: 1377-1382 (1995)


Article DOI: 10.1016/0960-894X(95)00227-K
BindingDB Entry DOI: 10.7270/Q2M045D5
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50284689
PNG
(7-Chloro-2-((E)-2-{3-[4-(2-methyl-imidazo[4,5-c]py...)
Show SMILES Cc1nc2cnccc2n1-c1ccc(OCc2cccc(\C=C\c3ccc4ccc(Cl)cc4n3)c2)cc1
Show InChI InChI=1S/C31H23ClN4O/c1-21-34-30-19-33-16-15-31(30)36(21)27-11-13-28(14-12-27)37-20-23-4-2-3-22(17-23)5-9-26-10-7-24-6-8-25(32)18-29(24)35-26/h2-19H,20H2,1H3/b9-5+
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against Beta adrenergic receptor


Bioorg Med Chem Lett 5: 1377-1382 (1995)


Article DOI: 10.1016/0960-894X(95)00227-K
BindingDB Entry DOI: 10.7270/Q2M045D5
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50101968
PNG
(4-(3-tert-Butylamino-propoxy)-3-methyl-benzofuran-...)
Show SMILES CCOC(=O)c1oc2cccc(OCCCNC(C)(C)C)c2c1C
Show InChI InChI=1S/C19H27NO4/c1-6-22-18(21)17-13(2)16-14(9-7-10-15(16)24-17)23-12-8-11-20-19(3,4)5/h7,9-10,20H,6,8,11-12H2,1-5H3
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n/an/a 2.50E+4n/an/an/an/an/an/a



Nippon Roche Research Center, 200 Kajiwara, Kamakura, 247-8530, Kanagawa, Japan.

Curated by ChEMBL


Assay Description
Compound was evaluated for its Beta adrenergic receptor blocking action


Bioorg Med Chem Lett 11: 1833-7 (2001)


Article DOI: 10.1016/s0960-894x(01)00319-5
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50218688
PNG
(CHEMBL416300)
Show SMILES CCOC(=O)c1oc2cccc(OCCCNC(C)C)c2c1C
Show InChI InChI=1S/C18H25NO4/c1-5-21-18(20)17-13(4)16-14(8-6-9-15(16)23-17)22-11-7-10-19-12(2)3/h6,8-9,12,19H,5,7,10-11H2,1-4H3
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n/an/a 3.80E+4n/an/an/an/an/an/a



Nippon Roche Research Center, 200 Kajiwara, Kamakura, 247-8530, Kanagawa, Japan.

Curated by ChEMBL


Assay Description
In vitro ability of the compound to displace radiolabelled FTI from farnesyltransferase in cultured Ha-ras transformed RAT1 cells


Bioorg Med Chem Lett 11: 1833-7 (2001)


Article DOI: 10.1016/s0960-894x(01)00319-5
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50214285
PNG
(CHEMBL279012)
Show SMILES COCCc1ccc(OC(F)(F)[C@H](O)CNC(C)C)cc1
Show InChI InChI=1S/C15H23F2NO3/c1-11(2)18-10-14(19)15(16,17)21-13-6-4-12(5-7-13)8-9-20-3/h4-7,11,14,18-19H,8-10H2,1-3H3/t14-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for its ability to inhibit (-)-[3H]dihydroalprenolol binding to beta-adrenergic receptor sites in rat cortex


Bioorg Med Chem Lett 7: 1273-1274 (1997)


Article DOI: 10.1016/S0960-894X(97)00207-2
BindingDB Entry DOI: 10.7270/Q2SX6D7F
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50212977
PNG
(AMIBEGRON HYDROCHLORIDE | Amibegron HCl | SR-58611...)
Show SMILES Cl.CCOC(=O)COc1ccc2CC[C@@H](Cc2c1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C22H26ClNO4.ClH/c1-2-27-22(26)14-28-20-9-7-15-6-8-19(11-17(15)12-20)24-13-21(25)16-4-3-5-18(23)10-16;/h3-5,7,9-10,12,19,21,24-25H,2,6,8,11,13-14H2,1H3;1H/t19-,21-;/m0./s1
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n/an/an/an/a>3.00E+4n/an/an/an/a


TBA

Assay Description
Beta-adrenergic agonistic activity in guinea-pig atrium preincubated with phenoxybenzamine (12 uM) for 30 min


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


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50106973
PNG
(4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propy...)
Show SMILES O[C@@H](CNCCc1ccc(NC2CCN(CC2)C(=O)NC2CCCCC2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C29H42N4O4/c34-26-10-12-28(13-11-26)37-21-27(35)20-30-17-14-22-6-8-24(9-7-22)31-25-15-18-33(19-16-25)29(36)32-23-4-2-1-3-5-23/h6-13,23,25,27,30-31,34-35H,1-5,14-21H2,(H,32,36)/t27-/m0/s1
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n/an/an/an/a 77n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against cAMP accumulation level in CHO cells expressing human beta-AR receptor


Bioorg Med Chem Lett 11: 3123-7 (2001)


Article DOI: 10.1016/s0960-894x(01)00645-x
BindingDB Entry DOI: 10.7270/Q26D5S92
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50106979
PNG
(4-(4-{2-[(R)-2-Hydroxy-2-(4-hydroxy-3-methanesulfo...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNCCc1ccc(NC2CCN(CC2)C(=O)NCc2cc(F)ccc2F)cc1
Show InChI InChI=1S/C30H37F2N5O5S/c1-43(41,42)36-27-17-21(4-9-28(27)38)29(39)19-33-13-10-20-2-6-24(7-3-20)35-25-11-14-37(15-12-25)30(40)34-18-22-16-23(31)5-8-26(22)32/h2-9,16-17,25,29,33,35-36,38-39H,10-15,18-19H2,1H3,(H,34,40)/t29-/m0/s1
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n/an/an/an/a 10n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against cAMP accumulation level in CHO cells expressing human beta-AR receptor


Bioorg Med Chem Lett 11: 3123-7 (2001)


Article DOI: 10.1016/s0960-894x(01)00645-x
BindingDB Entry DOI: 10.7270/Q26D5S92
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50212980
PNG
(CHEMBL553039 | SR-58997A)
Show SMILES Cl.CCOC(=O)CCc1ccc2CC[C@@H](Cc2c1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H28ClNO3.ClH/c1-2-28-23(27)11-7-16-6-8-17-9-10-21(14-19(17)12-16)25-15-22(26)18-4-3-5-20(24)13-18;/h3-6,8,12-13,21-22,25-26H,2,7,9-11,14-15H2,1H3;1H/t21-,22-;/m0./s1
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n/an/an/an/a>3.00E+4n/an/an/an/a


TBA

Assay Description
Beta-adrenergic agonistic activity in guinea-pig atrium preincubated with phenoxybenzamine (12 uM) for 30 min


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


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50212977
PNG
(AMIBEGRON HYDROCHLORIDE | Amibegron HCl | SR-58611...)
Show SMILES Cl.CCOC(=O)COc1ccc2CC[C@@H](Cc2c1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C22H26ClNO4.ClH/c1-2-27-22(26)14-28-20-9-7-15-6-8-19(11-17(15)12-20)24-13-21(25)16-4-3-5-18(23)10-16;/h3-5,7,9-10,12,19,21,24-25H,2,6,8,11,13-14H2,1H3;1H/t19-,21-;/m0./s1
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n/an/an/an/a>3.00E+4n/an/an/an/a


TBA

Assay Description
Beta-adrenergic agonistic activity in guinea-pig atrium preincubated with phenoxybenzamine (12 uM) for 30 min


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


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50212978
PNG
(CHEMBL541542)
Show SMILES Cl.CCOC(=O)c1ccc2CCC(Cc2c1)NCC(O)c1cccc(Cl)c1
Show InChI InChI=1S/C21H24ClNO3.ClH/c1-2-26-21(25)16-7-6-14-8-9-19(12-17(14)10-16)23-13-20(24)15-4-3-5-18(22)11-15;/h3-7,10-11,19-20,23-24H,2,8-9,12-13H2,1H3;1H
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n/an/an/an/a>3.00E+4n/an/an/an/a


TBA

Assay Description
Beta-adrenergic agonistic activity in guinea-pig atrium preincubated with phenoxybenzamine (12 uM) for 30 min


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


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50212979
PNG
(CHEMBL543333)
Show SMILES Cl.CCOC(=O)CCc1ccc2CCC(Cc2c1)NCC(O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H28ClNO3.ClH/c1-2-28-23(27)11-7-16-6-8-17-9-10-21(14-19(17)12-16)25-15-22(26)18-4-3-5-20(24)13-18;/h3-6,8,12-13,21-22,25-26H,2,7,9-11,14-15H2,1H3;1H
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n/an/an/an/a>3.00E+4n/an/an/an/a


TBA

Assay Description
Beta-adrenergic agonistic activity in guinea-pig atrium preincubated with phenoxybenzamine (12 uM) for 30 min


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


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50212981
PNG
(CHEMBL543099 | SR-59062A)
Show SMILES Cl.CCOC(=O)CCc1ccc2CC[C@H](Cc2c1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H28ClNO3.ClH/c1-2-28-23(27)11-7-16-6-8-17-9-10-21(14-19(17)12-16)25-15-22(26)18-4-3-5-20(24)13-18;/h3-6,8,12-13,21-22,25-26H,2,7,9-11,14-15H2,1H3;1H/t21-,22+;/m1./s1
PDB
MMDB

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PC cid
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n/an/an/an/a>3.00E+4n/an/an/an/a


TBA

Assay Description
Beta-adrenergic agonistic activity in guinea-pig atrium preincubated with phenoxybenzamine (12 uM) for 30 min


Citation and Details
More data for this
Ligand-Target Pair