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PubMed code 1976812

Compile data set for download or QSAR
Found 30 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
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
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
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
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
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
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
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
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
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))		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
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
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
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
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
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
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
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
* indicates data uncertainty>20%