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PubMed code 1976812

Compile data set for download or QSAR
Found 62 hits of Enzyme Inhibition Constant Data   
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))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
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n/an/a 12n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Tested for Beta Adrenergic receptor binding inhibition from canine ventricular tissue, using [3H]dihydroalprenolol as the radioligand in anesthetized...


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
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n/an/a 17n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Tested for Beta-2 adrenergic receptor selectivity in canine lung tissue in anesthetized dogs


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
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n/an/a 18n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


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


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50010834
PNG
(1-{2-[4-(3H-Imidazol-1-yl)-phenoxy]-ethylamino}-3-...)
Show SMILES OC(CNCCOc1ccc(cc1)-n1ccnc1)COc1ccccc1
Show InChI InChI=1S/C20H23N3O3/c24-18(15-26-19-4-2-1-3-5-19)14-21-11-13-25-20-8-6-17(7-9-20)23-12-10-22-16-23/h1-10,12,16,18,21,24H,11,13-15H2
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n/an/a 40n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Tested for beta-receptor binding inhibition from canine ventricular tissue, using [3H]dihydroalprenolol as the radioligand in anesthetized dogs


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50010834
PNG
(1-{2-[4-(3H-Imidazol-1-yl)-phenoxy]-ethylamino}-3-...)
Show SMILES OC(CNCCOc1ccc(cc1)-n1ccnc1)COc1ccccc1
Show InChI InChI=1S/C20H23N3O3/c24-18(15-26-19-4-2-1-3-5-19)14-21-11-13-25-20-8-6-17(7-9-20)23-12-10-22-16-23/h1-10,12,16,18,21,24H,11,13-15H2
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n/an/a 40n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Tested for beta1-receptor selectivity in canine cardiac tissue in anesthetized dogs


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50010840
PNG
(1-{2-[4-(3H-Imidazol-1-yl)-phenoxy]-ethylamino}-3-...)
Show SMILES Cc1cccc(OCC(O)CNCCOc2ccc(cc2)-n2ccnc2)c1
Show InChI InChI=1S/C21H25N3O3/c1-17-3-2-4-21(13-17)27-15-19(25)14-22-10-12-26-20-7-5-18(6-8-20)24-11-9-23-16-24/h2-9,11,13,16,19,22,25H,10,12,14-15H2,1H3
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n/an/a 90n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Tested for beta-receptor binding inhibition from canine ventricular tissue, using [3H]dihydroalprenolol as the radioligand in anesthetized dogs


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50228546
PNG
(CHEMBL95784)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)C(=O)NCCNCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C23H27N3O5S/c1-32(29,30)26-19-11-9-18(10-12-19)23(28)25-14-13-24-15-20(27)16-31-22-8-4-6-17-5-2-3-7-21(17)22/h2-12,20,24,26-27H,13-16H2,1H3,(H,25,28)
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n/an/a 150n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Tested for Beta adrenergic receptor binding inhibition from canine ventricular tissue, using [3H]dihydroalprenolol as the radioligand in anesthetized...


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50010840
PNG
(1-{2-[4-(3H-Imidazol-1-yl)-phenoxy]-ethylamino}-3-...)
Show SMILES Cc1cccc(OCC(O)CNCCOc2ccc(cc2)-n2ccnc2)c1
Show InChI InChI=1S/C21H25N3O3/c1-17-3-2-4-21(13-17)27-15-19(25)14-22-10-12-26-20-7-5-18(6-8-20)24-11-9-23-16-24/h2-9,11,13,16,19,22,25H,10,12,14-15H2,1H3
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n/an/a 270n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Tested for beta1-receptor selectivity in canine cardiac tissue in anesthetized dogs


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50010837
PNG
(1-{2-[4-(3H-Imidazol-1-yl)-phenoxy]-ethylamino}-3-...)
Show SMILES COCCc1ccc(OCC(O)CNCCOc2ccc(cc2)-n2ccnc2)cc1
Show InChI InChI=1S/C23H29N3O4/c1-28-14-10-19-2-6-23(7-3-19)30-17-21(27)16-24-12-15-29-22-8-4-20(5-9-22)26-13-11-25-18-26/h2-9,11,13,18,21,24,27H,10,12,14-17H2,1H3
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n/an/a 270n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Tested for beta-receptor binding inhibition from canine ventricular tissue, using [3H]dihydroalprenolol as the radioligand in anesthetized dogs


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50010837
PNG
(1-{2-[4-(3H-Imidazol-1-yl)-phenoxy]-ethylamino}-3-...)
Show SMILES COCCc1ccc(OCC(O)CNCCOc2ccc(cc2)-n2ccnc2)cc1
Show InChI InChI=1S/C23H29N3O4/c1-28-14-10-19-2-6-23(7-3-19)30-17-21(27)16-24-12-15-29-22-8-4-20(5-9-22)26-13-11-25-18-26/h2-9,11,13,18,21,24,27H,10,12,14-17H2,1H3
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n/an/a 270n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Tested for beta1-receptor selectivity in canine cardiac tissue in anesthetized dogs


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)
BDBM50010834
PNG
(1-{2-[4-(3H-Imidazol-1-yl)-phenoxy]-ethylamino}-3-...)
Show SMILES OC(CNCCOc1ccc(cc1)-n1ccnc1)COc1ccccc1
Show InChI InChI=1S/C20H23N3O3/c24-18(15-26-19-4-2-1-3-5-19)14-21-11-13-25-20-8-6-17(7-9-20)23-12-10-22-16-23/h1-10,12,16,18,21,24H,11,13-15H2
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n/an/a 280n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Beta2-receptor selectivity in canine lung tissue in anesthetized dogs


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50228557
PNG
(CHEMBL99718)
Show SMILES OC(CNCCOc1ccc(cc1)-n1ccnc1)CONC(C1CC1)C1CC1
Show InChI InChI=1S/C21H30N4O3/c26-19(14-28-24-21(16-1-2-16)17-3-4-17)13-22-10-12-27-20-7-5-18(6-8-20)25-11-9-23-15-25/h5-9,11,15-17,19,21-22,24,26H,1-4,10,12-14H2
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n/an/a 300n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Tested for beta-receptor binding inhibition from canine ventricular tissue, using [3H]dihydroalprenolol as the radioligand in anesthetized dogs


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50228540
PNG
(CHEMBL317163)
Show SMILES OC(CNCCNC(=O)c1ccc(cc1)-n1ccnc1)COc1cccc2ccccc12
Show InChI InChI=1S/C25H26N4O3/c30-22(17-32-24-7-3-5-19-4-1-2-6-23(19)24)16-26-12-13-28-25(31)20-8-10-21(11-9-20)29-15-14-27-18-29/h1-11,14-15,18,22,26,30H,12-13,16-17H2,(H,28,31)
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n/an/a 420n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Tested for Beta adrenergic receptor binding inhibition from canine ventricular tissue, using [3H]dihydroalprenolol as the radioligand in anesthetized...


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)
BDBM50010840
PNG
(1-{2-[4-(3H-Imidazol-1-yl)-phenoxy]-ethylamino}-3-...)
Show SMILES Cc1cccc(OCC(O)CNCCOc2ccc(cc2)-n2ccnc2)c1
Show InChI InChI=1S/C21H25N3O3/c1-17-3-2-4-21(13-17)27-15-19(25)14-22-10-12-26-20-7-5-18(6-8-20)24-11-9-23-16-24/h2-9,11,13,16,19,22,25H,10,12,14-15H2,1H3
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n/an/a 510n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Beta2-receptor selectivity in canine lung tissue in anesthetized dogs


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50010841
PNG
(1-(4-Imidazol-1-yl-benzylamino)-3-o-tolyloxy-propa...)
Show SMILES Cc1ccccc1OCC(O)CNCc1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C20H23N3O2/c1-16-4-2-3-5-20(16)25-14-19(24)13-22-12-17-6-8-18(9-7-17)23-11-10-21-15-23/h2-11,15,19,22,24H,12-14H2,1H3
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n/an/a 780n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Tested for Beta adrenergic receptor binding inhibition from canine ventricular tissue, using [3H]dihydroalprenolol as the radioligand in anesthetized...


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50010841
PNG
(1-(4-Imidazol-1-yl-benzylamino)-3-o-tolyloxy-propa...)
Show SMILES Cc1ccccc1OCC(O)CNCc1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C20H23N3O2/c1-16-4-2-3-5-20(16)25-14-19(24)13-22-12-17-6-8-18(9-7-17)23-11-10-21-15-23/h2-11,15,19,22,24H,12-14H2,1H3
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n/an/a 800n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


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


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50010829
PNG
(CHEMBL95966 | N-{4-[(2-Hydroxy-3-m-tolyloxy-propyl...)
Show SMILES Cc1cccc(OCC(O)CNCc2ccc(NS(C)(=O)=O)cc2)c1
Show InChI InChI=1S/C18H24N2O4S/c1-14-4-3-5-18(10-14)24-13-17(21)12-19-11-15-6-8-16(9-7-15)20-25(2,22)23/h3-10,17,19-21H,11-13H2,1-2H3
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n/an/a 990n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Tested for Beta adrenergic receptor binding inhibition from canine ventricular tissue, using [3H]dihydroalprenolol as the radioligand in anesthetized...


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)
BDBM50010841
PNG
(1-(4-Imidazol-1-yl-benzylamino)-3-o-tolyloxy-propa...)
Show SMILES Cc1ccccc1OCC(O)CNCc1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C20H23N3O2/c1-16-4-2-3-5-20(16)25-14-19(24)13-22-12-17-6-8-18(9-7-17)23-11-10-21-15-23/h2-11,15,19,22,24H,12-14H2,1H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Tested for Beta-2 adrenergic receptor selectivity in canine lung tissue in anesthetized dogs


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50367951
PNG
(CHEMBL1193886)
Show SMILES CS(=O)(=O)Nc1ccc(OC[C@@H](O)CNCCOc2ccc(cc2)-n2ccnc2)cc1
Show InChI InChI=1S/C21H26N4O5S/c1-31(27,28)24-17-2-6-21(7-3-17)30-15-19(26)14-22-11-13-29-20-8-4-18(5-9-20)25-12-10-23-16-25/h2-10,12,16,19,22,24,26H,11,13-15H2,1H3/t19-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


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


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50010842
PNG
(CHEMBL95754 | N-{4-[4-(2-Hydroxy-3-o-tolyloxy-prop...)
Show SMILES Cc1ccccc1OCC(O)CN1CCN(CC1)c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C21H29N3O4S/c1-17-5-3-4-6-21(17)28-16-20(25)15-23-11-13-24(14-12-23)19-9-7-18(8-10-19)22-29(2,26)27/h3-10,20,22,25H,11-16H2,1-2H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Tested for Beta adrenergic receptor binding inhibition from canine ventricular tissue, using [3H]dihydroalprenolol as the radioligand in anesthetized...


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50010829
PNG
(CHEMBL95966 | N-{4-[(2-Hydroxy-3-m-tolyloxy-propyl...)
Show SMILES Cc1cccc(OCC(O)CNCc2ccc(NS(C)(=O)=O)cc2)c1
Show InChI InChI=1S/C18H24N2O4S/c1-14-4-3-5-18(10-14)24-13-17(21)12-19-11-15-6-8-16(9-7-15)20-25(2,22)23/h3-10,17,19-21H,11-13H2,1-2H3
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n/an/a 2.40E+3n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


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


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50010833
PNG
(CHEMBL552615 | CHEMBL99585 | Ersentilide | N-(4-{2...)
Show SMILES CS(=O)(=O)Nc1ccc(OCC(O)CNCCOc2ccc(cc2)-n2ccnc2)cc1
Show InChI InChI=1S/C21H26N4O5S/c1-31(27,28)24-17-2-6-21(7-3-17)30-15-19(26)14-22-11-13-29-20-8-4-18(5-9-20)25-12-10-23-16-25/h2-10,12,16,19,22,24,26H,11,13-15H2,1H3
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n/an/a 2.40E+3n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


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


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50228544
PNG
(CHEMBL98979)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)C(=O)NCCNCC(O)COc1ccccc1C#N
Show InChI InChI=1S/C20H24N4O5S/c1-30(27,28)24-17-8-6-15(7-9-17)20(26)23-11-10-22-13-18(25)14-29-19-5-3-2-4-16(19)12-21/h2-9,18,22,24-25H,10-11,13-14H2,1H3,(H,23,26)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Tested for Beta adrenergic receptor binding inhibition from canine ventricular tissue, using [3H]dihydroalprenolol as the radioligand in anesthetized...


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50228558
PNG
(CHEMBL95911)
Show SMILES CS(=O)(=O)Nc1ccc(CNCC(O)COc2ccccc2)cc1
Show InChI InChI=1S/C17H22N2O4S/c1-24(21,22)19-15-9-7-14(8-10-15)11-18-12-16(20)13-23-17-5-3-2-4-6-17/h2-10,16,18-20H,11-13H2,1H3
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n/an/a 2.90E+3n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Tested for Beta adrenergic receptor binding inhibition from canine ventricular tissue, using [3H]dihydroalprenolol as the radioligand in anesthetized...


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50010842
PNG
(CHEMBL95754 | N-{4-[4-(2-Hydroxy-3-o-tolyloxy-prop...)
Show SMILES Cc1ccccc1OCC(O)CN1CCN(CC1)c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C21H29N3O4S/c1-17-5-3-4-6-21(17)28-16-20(25)15-23-11-13-24(14-12-23)19-9-7-18(8-10-19)22-29(2,26)27/h3-10,20,22,25H,11-16H2,1-2H3
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n/an/a 3.30E+3n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


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


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50010844
PNG
(CHEMBL316868 | N-[4-(1-Hydroxy-2-{2-[4-(3H-imidazo...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)C(O)CNCCOc1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C20H24N4O4S/c1-29(26,27)23-17-4-2-16(3-5-17)20(25)14-21-11-13-28-19-8-6-18(7-9-19)24-12-10-22-15-24/h2-10,12,15,20-21,23,25H,11,13-14H2,1H3
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n/an/a 3.60E+3n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Tested for beta-receptor binding inhibition from canine ventricular tissue, using [3H]dihydroalprenolol as the radioligand in anesthetized dogs


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50228537
PNG
(CHEMBL320445)
Show SMILES COc1ccccc1C(O)CNCCOc1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C20H23N3O3/c1-25-20-5-3-2-4-18(20)19(24)14-21-11-13-26-17-8-6-16(7-9-17)23-12-10-22-15-23/h2-10,12,15,19,21,24H,11,13-14H2,1H3
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n/an/a 3.70E+3n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Tested for beta-receptor binding inhibition from canine ventricular tissue, using [3H]dihydroalprenolol as the radioligand in anesthetized dogs


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50228539
PNG
(CHEMBL318131)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)C(=O)NCCNCC(O)COc1ccccc1
Show InChI InChI=1S/C19H25N3O5S/c1-28(25,26)22-16-9-7-15(8-10-16)19(24)21-12-11-20-13-17(23)14-27-18-5-3-2-4-6-18/h2-10,17,20,22-23H,11-14H2,1H3,(H,21,24)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Tested for Beta adrenergic receptor binding inhibition from canine ventricular tissue, using [3H]dihydroalprenolol as the radioligand in anesthetized...


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)
BDBM50010829
PNG
(CHEMBL95966 | N-{4-[(2-Hydroxy-3-m-tolyloxy-propyl...)
Show SMILES Cc1cccc(OCC(O)CNCc2ccc(NS(C)(=O)=O)cc2)c1
Show InChI InChI=1S/C18H24N2O4S/c1-14-4-3-5-18(10-14)24-13-17(21)12-19-11-15-6-8-16(9-7-15)20-25(2,22)23/h3-10,17,19-21H,11-13H2,1-2H3
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n/an/a 4.40E+3n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Tested for Beta-2 adrenergic receptor selectivity in canine lung tissue in anesthetized dogs


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)
BDBM50010837
PNG
(1-{2-[4-(3H-Imidazol-1-yl)-phenoxy]-ethylamino}-3-...)
Show SMILES COCCc1ccc(OCC(O)CNCCOc2ccc(cc2)-n2ccnc2)cc1
Show InChI InChI=1S/C23H29N3O4/c1-28-14-10-19-2-6-23(7-3-19)30-17-21(27)16-24-12-15-29-22-8-4-20(5-9-22)26-13-11-25-18-26/h2-9,11,13,18,21,24,27H,10,12,14-17H2,1H3
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n/an/a 4.50E+3n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Beta2-receptor selectivity in canine lung tissue in anesthetized dogs


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50010844
PNG
(CHEMBL316868 | N-[4-(1-Hydroxy-2-{2-[4-(3H-imidazo...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)C(O)CNCCOc1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C20H24N4O4S/c1-29(26,27)23-17-4-2-16(3-5-17)20(25)14-21-11-13-28-19-8-6-18(7-9-19)24-12-10-22-15-24/h2-10,12,15,20-21,23,25H,11,13-14H2,1H3
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n/an/a 5.10E+3n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Tested for beta1-receptor selectivity in canine cardiac tissue in anesthetized dogs


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)
BDBM25762
PNG
(CHEMBL471 | N-{4-[1-hydroxy-2-(propan-2-ylamino)et...)
Show SMILES CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3
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n/an/a 5.20E+3n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Tested for Beta-2 adrenergic receptor selectivity in canine lung tissue in anesthetized dogs


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)
BDBM50010844
PNG
(CHEMBL316868 | N-[4-(1-Hydroxy-2-{2-[4-(3H-imidazo...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)C(O)CNCCOc1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C20H24N4O4S/c1-29(26,27)23-17-4-2-16(3-5-17)20(25)14-21-11-13-28-19-8-6-18(7-9-19)24-12-10-22-15-24/h2-10,12,15,20-21,23,25H,11,13-14H2,1H3
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n/an/a 5.70E+3n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Beta2-receptor selectivity in canine lung tissue in anesthetized dogs


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)
BDBM50010842
PNG
(CHEMBL95754 | N-{4-[4-(2-Hydroxy-3-o-tolyloxy-prop...)
Show SMILES Cc1ccccc1OCC(O)CN1CCN(CC1)c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C21H29N3O4S/c1-17-5-3-4-6-21(17)28-16-20(25)15-23-11-13-24(14-12-23)19-9-7-18(8-10-19)22-29(2,26)27/h3-10,20,22,25H,11-16H2,1-2H3
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n/an/a 6.60E+3n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Tested for Beta-2 adrenergic receptor selectivity in canine lung tissue in anesthetized dogs


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM25762
PNG
(CHEMBL471 | N-{4-[1-hydroxy-2-(propan-2-ylamino)et...)
Show SMILES CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3
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n/an/a 7.20E+3n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Tested for Beta adrenergic receptor binding inhibition from canine ventricular tissue, using [3H]dihydroalprenolol as the radioligand in anesthetized...


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50010830
PNG
(CHEMBL95727 | N-[4-({2-Hydroxy-3-[4-(2-methoxy-eth...)
Show SMILES COCCc1ccc(OCC(O)CNCc2ccc(NS(C)(=O)=O)cc2)cc1
Show InChI InChI=1S/C20H28N2O5S/c1-26-12-11-16-5-9-20(10-6-16)27-15-19(23)14-21-13-17-3-7-18(8-4-17)22-28(2,24)25/h3-10,19,21-23H,11-15H2,1-2H3
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n/an/a 7.30E+3n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


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


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50228542
PNG
(CHEMBL99513)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)N1CCN(CC(O)COc2cccc3C(=O)CCCc23)CC1
Show InChI InChI=1S/C24H31N3O5S/c1-33(30,31)25-18-8-10-19(11-9-18)27-14-12-26(13-15-27)16-20(28)17-32-24-7-3-4-21-22(24)5-2-6-23(21)29/h3-4,7-11,20,25,28H,2,5-6,12-17H2,1H3
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n/an/a 8.40E+3n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Tested for Beta adrenergic receptor binding inhibition from canine ventricular tissue, using [3H]dihydroalprenolol as the radioligand in anesthetized...


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM25762
PNG
(CHEMBL471 | N-{4-[1-hydroxy-2-(propan-2-ylamino)et...)
Show SMILES CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3
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n/an/a 8.90E+3n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


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


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50228543
PNG
(CHEMBL99815)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)C(=O)N1CCN(CC(O)COc2ccccc2)CC1
Show InChI InChI=1S/C21H27N3O5S/c1-30(27,28)22-18-9-7-17(8-10-18)21(26)24-13-11-23(12-14-24)15-19(25)16-29-20-5-3-2-4-6-20/h2-10,19,22,25H,11-16H2,1H3
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n/an/a 1.22E+4n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Tested for Beta adrenergic receptor binding inhibition from canine ventricular tissue, using [3H]dihydroalprenolol as the radioligand in anesthetized...


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50228535
PNG
(CHEMBL99532)
Show SMILES COCCc1ccc(OCC(O)CNCCNC(=O)c2ccc(cc2)-n2ccnc2)cc1
Show InChI InChI=1S/C24H30N4O4/c1-31-15-10-19-2-8-23(9-3-19)32-17-22(29)16-25-11-12-27-24(30)20-4-6-21(7-5-20)28-14-13-26-18-28/h2-9,13-14,18,22,25,29H,10-12,15-17H2,1H3,(H,27,30)
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n/an/a 1.24E+4n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Tested for Beta adrenergic receptor binding inhibition from canine ventricular tissue, using [3H]dihydroalprenolol as the radioligand in anesthetized...


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50228541
PNG
(CHEMBL317274)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)N1CCN(CC(O)CONC(C2CC2)C2CC2)CC1
Show InChI InChI=1S/C21H34N4O4S/c1-30(27,28)23-18-6-8-19(9-7-18)25-12-10-24(11-13-25)14-20(26)15-29-22-21(16-2-3-16)17-4-5-17/h6-9,16-17,20-23,26H,2-5,10-15H2,1H3
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n/an/a 1.57E+4n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Tested for Beta adrenergic receptor binding inhibition from canine ventricular tissue, using [3H]dihydroalprenolol as the radioligand in anesthetized...


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50010828
PNG
(CHEMBL99331 | N-{4-[4-(2-Hydroxy-3-m-tolyloxy-prop...)
Show SMILES Cc1cccc(OCC(O)CN2CCN(CC2)c2ccc(NS(C)(=O)=O)cc2)c1
Show InChI InChI=1S/C21H29N3O4S/c1-17-4-3-5-21(14-17)28-16-20(25)15-23-10-12-24(13-11-23)19-8-6-18(7-9-19)22-29(2,26)27/h3-9,14,20,22,25H,10-13,15-16H2,1-2H3
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n/an/a 1.57E+4n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Tested for Beta adrenergic receptor binding inhibition from canine ventricular tissue, using [3H]dihydroalprenolol as the radioligand in anesthetized...


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50228536
PNG
(CHEMBL98575)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)N1CCN(CC(O)COc2ccccc2)CC1
Show InChI InChI=1S/C20H27N3O4S/c1-28(25,26)21-17-7-9-18(10-8-17)23-13-11-22(12-14-23)15-19(24)16-27-20-5-3-2-4-6-20/h2-10,19,21,24H,11-16H2,1H3
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n/an/a 1.58E+4n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Tested for Beta adrenergic receptor binding inhibition from canine ventricular tissue, using [3H]dihydroalprenolol as the radioligand in anesthetized...


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50010828
PNG
(CHEMBL99331 | N-{4-[4-(2-Hydroxy-3-m-tolyloxy-prop...)
Show SMILES Cc1cccc(OCC(O)CN2CCN(CC2)c2ccc(NS(C)(=O)=O)cc2)c1
Show InChI InChI=1S/C21H29N3O4S/c1-17-4-3-5-21(14-17)28-16-20(25)15-23-10-12-24(13-11-23)19-8-6-18(7-9-19)22-29(2,26)27/h3-9,14,20,22,25H,10-13,15-16H2,1-2H3
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n/an/a 1.92E+4n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


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


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50010830
PNG
(CHEMBL95727 | N-[4-({2-Hydroxy-3-[4-(2-methoxy-eth...)
Show SMILES COCCc1ccc(OCC(O)CNCc2ccc(NS(C)(=O)=O)cc2)cc1
Show InChI InChI=1S/C20H28N2O5S/c1-26-12-11-16-5-9-20(10-6-16)27-15-19(23)14-21-13-17-3-7-18(8-4-17)22-28(2,24)25/h3-10,19,21-23H,11-15H2,1-2H3
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n/an/a 2.58E+4n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Tested for Beta adrenergic receptor binding inhibition from canine ventricular tissue, using [3H]dihydroalprenolol as the radioligand in anesthetized...


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)
BDBM50010838
PNG
(CHEMBL100624 | N-{4-[2-Hydroxy-3-(4-imidazol-1-yl-...)
Show SMILES CS(=O)(=O)Nc1ccc(OCC(O)CNCc2ccc(cc2)-n2ccnc2)cc1
Show InChI InChI=1S/C20H24N4O4S/c1-29(26,27)23-17-4-8-20(9-5-17)28-14-19(25)13-22-12-16-2-6-18(7-3-16)24-11-10-21-15-24/h2-11,15,19,22-23,25H,12-14H2,1H3
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n/an/a 2.60E+4n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Tested for Beta-2 adrenergic receptor selectivity in canine lung tissue in anesthetized dogs


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50228556
PNG
(CHEMBL99652)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)C(=O)N1CCN(CC(O)COc2cccc3ccccc23)CC1
Show InChI InChI=1S/C25H29N3O5S/c1-34(31,32)26-21-11-9-20(10-12-21)25(30)28-15-13-27(14-16-28)17-22(29)18-33-24-8-4-6-19-5-2-3-7-23(19)24/h2-12,22,26,29H,13-18H2,1H3
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n/an/a 3.09E+4n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Tested for Beta adrenergic receptor binding inhibition from canine ventricular tissue, using [3H]dihydroalprenolol as the radioligand in anesthetized...


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50010838
PNG
(CHEMBL100624 | N-{4-[2-Hydroxy-3-(4-imidazol-1-yl-...)
Show SMILES CS(=O)(=O)Nc1ccc(OCC(O)CNCc2ccc(cc2)-n2ccnc2)cc1
Show InChI InChI=1S/C20H24N4O4S/c1-29(26,27)23-17-4-8-20(9-5-17)28-14-19(25)13-22-12-16-2-6-18(7-3-16)24-11-10-21-15-24/h2-11,15,19,22-23,25H,12-14H2,1H3
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n/an/a 3.31E+4n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


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


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50367950
PNG
(CHEMBL1192069)
Show SMILES CS(=O)(=O)Nc1ccc(OC[C@H](O)CNCCOc2ccc(cc2)-n2ccnc2)cc1
Show InChI InChI=1S/C21H26N4O5S/c1-31(27,28)24-17-2-6-21(7-3-17)30-15-19(26)14-22-11-13-29-20-8-4-18(5-9-20)25-12-10-23-16-25/h2-10,12,16,19,22,24,26H,11,13-15H2,1H3/t19-/m1/s1
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n/an/a 3.75E+4n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


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


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)
BDBM50367950
PNG
(CHEMBL1192069)
Show SMILES CS(=O)(=O)Nc1ccc(OC[C@H](O)CNCCOc2ccc(cc2)-n2ccnc2)cc1
Show InChI InChI=1S/C21H26N4O5S/c1-31(27,28)24-17-2-6-21(7-3-17)30-15-19(26)14-22-11-13-29-20-8-4-18(5-9-20)25-12-10-23-16-25/h2-10,12,16,19,22,24,26H,11,13-15H2,1H3/t19-/m1/s1
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n/an/a 4.10E+4n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Beta2-receptor selectivity in canine lung tissue in anesthetized dogs


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50228549
PNG
(CHEMBL95894)
Show SMILES COc1ccc(OCC(O)CNCCNC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1
Show InChI InChI=1S/C20H27N3O6S/c1-28-18-7-9-19(10-8-18)29-14-17(24)13-21-11-12-22-20(25)15-3-5-16(6-4-15)23-30(2,26)27/h3-10,17,21,23-24H,11-14H2,1-2H3,(H,22,25)
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n/an/a 4.38E+4n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Tested for Beta adrenergic receptor binding inhibition from canine ventricular tissue, using [3H]dihydroalprenolol as the radioligand in anesthetized...


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)
BDBM50010830
PNG
(CHEMBL95727 | N-[4-({2-Hydroxy-3-[4-(2-methoxy-eth...)
Show SMILES COCCc1ccc(OCC(O)CNCc2ccc(NS(C)(=O)=O)cc2)cc1
Show InChI InChI=1S/C20H28N2O5S/c1-26-12-11-16-5-9-20(10-6-16)27-15-19(23)14-21-13-17-3-7-18(8-4-17)22-28(2,24)25/h3-10,19,21-23H,11-15H2,1-2H3
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n/an/a 4.60E+4n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Tested for Beta-2 adrenergic receptor selectivity in canine lung tissue in anesthetized dogs


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)
BDBM50010833
PNG
(CHEMBL552615 | CHEMBL99585 | Ersentilide | N-(4-{2...)
Show SMILES CS(=O)(=O)Nc1ccc(OCC(O)CNCCOc2ccc(cc2)-n2ccnc2)cc1
Show InChI InChI=1S/C21H26N4O5S/c1-31(27,28)24-17-2-6-21(7-3-17)30-15-19(26)14-22-11-13-29-20-8-4-18(5-9-20)25-12-10-23-16-25/h2-10,12,16,19,22,24,26H,11,13-15H2,1H3
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n/an/a 4.65E+4n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Beta2-receptor selectivity in canine lung tissue in anesthetized dogs


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)
BDBM50010828
PNG
(CHEMBL99331 | N-{4-[4-(2-Hydroxy-3-m-tolyloxy-prop...)
Show SMILES Cc1cccc(OCC(O)CN2CCN(CC2)c2ccc(NS(C)(=O)=O)cc2)c1
Show InChI InChI=1S/C21H29N3O4S/c1-17-4-3-5-21(14-17)28-16-20(25)15-23-10-12-24(13-11-23)19-8-6-18(7-9-19)22-29(2,26)27/h3-9,14,20,22,25H,10-13,15-16H2,1-2H3
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n/an/a 4.93E+4n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Tested for Beta-2 adrenergic receptor selectivity in canine lung tissue in anesthetized dogs


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)
BDBM50367951
PNG
(CHEMBL1193886)
Show SMILES CS(=O)(=O)Nc1ccc(OC[C@@H](O)CNCCOc2ccc(cc2)-n2ccnc2)cc1
Show InChI InChI=1S/C21H26N4O5S/c1-31(27,28)24-17-2-6-21(7-3-17)30-15-19(26)14-22-11-13-29-20-8-4-18(5-9-20)25-12-10-23-16-25/h2-10,12,16,19,22,24,26H,11,13-15H2,1H3/t19-/m0/s1
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n/an/a 5.00E+4n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Beta2-receptor selectivity in canine lung tissue in anesthetized dogs


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50228534
PNG
(CHEMBL99188)
Show SMILES COc1ccc(OCC(O)CNCCNC(=O)c2ccc(cc2)-n2ccnc2)cc1
Show InChI InChI=1S/C22H26N4O4/c1-29-20-6-8-21(9-7-20)30-15-19(27)14-23-10-11-25-22(28)17-2-4-18(5-3-17)26-13-12-24-16-26/h2-9,12-13,16,19,23,27H,10-11,14-15H2,1H3,(H,25,28)
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n/an/a 6.14E+4n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Tested for Beta adrenergic receptor binding inhibition from canine ventricular tissue, using [3H]dihydroalprenolol as the radioligand in anesthetized...


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50228538
PNG
(CHEMBL99391)
Show SMILES COCCc1ccc(OCC(O)CN2CCN(CC2)c2ccc(NS(C)(=O)=O)cc2)cc1
Show InChI InChI=1S/C23H33N3O5S/c1-30-16-11-19-3-9-23(10-4-19)31-18-22(27)17-25-12-14-26(15-13-25)21-7-5-20(6-8-21)24-32(2,28)29/h3-10,22,24,27H,11-18H2,1-2H3
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n/an/a 1.09E+5n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Tested for Beta adrenergic receptor binding inhibition from canine ventricular tissue, using [3H]dihydroalprenolol as the radioligand in anesthetized...


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50228545
PNG
(CHEMBL99179)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)C(=O)NC1CCCCC1NCC(O)COc1ccccc1
Show InChI InChI=1S/C23H31N3O5S/c1-32(29,30)26-18-13-11-17(12-14-18)23(28)25-22-10-6-5-9-21(22)24-15-19(27)16-31-20-7-3-2-4-8-20/h2-4,7-8,11-14,19,21-22,24,26-27H,5-6,9-10,15-16H2,1H3,(H,25,28)
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n/an/a 1.92E+5n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Tested for Beta adrenergic receptor binding inhibition from canine ventricular tissue, using [3H]dihydroalprenolol as the radioligand in anesthetized...


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50228548
PNG
(CHEMBL99814)
Show SMILES CS(=O)(=O)Nc1ccc(OCC(O)CNCCNC(=O)c2ccc(cc2)-n2ccnc2)cc1
Show InChI InChI=1S/C22H27N5O5S/c1-33(30,31)26-18-4-8-21(9-5-18)32-15-20(28)14-23-10-11-25-22(29)17-2-6-19(7-3-17)27-13-12-24-16-27/h2-9,12-13,16,20,23,26,28H,10-11,14-15H2,1H3,(H,25,29)
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n/an/a 2.27E+5n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Tested for Beta adrenergic receptor binding inhibition from canine ventricular tissue, using [3H]dihydroalprenolol as the radioligand in anesthetized...


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50228554
PNG
(CHEMBL95795)
Show SMILES CC(=O)Nc1ccc(OCC(O)CN2CCN(CC2)c2ccc(NS(C)(=O)=O)cc2)cc1
Show InChI InChI=1S/C22H30N4O5S/c1-17(27)23-18-5-9-22(10-6-18)31-16-21(28)15-25-11-13-26(14-12-25)20-7-3-19(4-8-20)24-32(2,29)30/h3-10,21,24,28H,11-16H2,1-2H3,(H,23,27)
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n/an/a 2.93E+5n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Tested for Beta adrenergic receptor binding inhibition from canine ventricular tissue, using [3H]dihydroalprenolol as the radioligand in anesthetized...


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50228555
PNG
(CHEMBL95985)
Show SMILES COCCc1ccc(OCC(O)CN2CCN(CC2)C(=O)c2ccc(NS(C)(=O)=O)cc2)cc1
Show InChI InChI=1S/C24H33N3O6S/c1-32-16-11-19-3-9-23(10-4-19)33-18-22(28)17-26-12-14-27(15-13-26)24(29)20-5-7-21(8-6-20)25-34(2,30)31/h3-10,22,25,28H,11-18H2,1-2H3
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n/an/a 3.60E+5n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Tested for Beta adrenergic receptor binding inhibition from canine ventricular tissue, using [3H]dihydroalprenolol as the radioligand in anesthetized...


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50228547
PNG
(SEMATILIDE | Sematilide)
Show SMILES CCN(CC)CCNC(=O)c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C14H23N3O3S/c1-4-17(5-2)11-10-15-14(18)12-6-8-13(9-7-12)16-21(3,19)20/h6-9,16H,4-5,10-11H2,1-3H3,(H,15,18)
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n/an/a 7.00E+6n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Tested for Beta adrenergic receptor binding inhibition from canine ventricular tissue, using [3H]dihydroalprenolol as the radioligand in anesthetized...


J Med Chem 33: 2883-91 (1990)


Article DOI: 10.1021/jm00172a033
BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%