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Compile Data Set for Download or QSAR

Found 90 hits of ic50 for UniProtKB: P54833   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Beta-2 adrenergic receptor


(Canis familiaris)		BDBM25392
PNG
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
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n/an/a 0.100n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonistic activity towards beta-2 adrenoceptor. IC50, the mean concentration required to produce 50% inhibition of uterine contraction

J Med Chem 44: 1436-45 (2001)


BindingDB Entry DOI: 10.7270/Q2Q52QVH
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)		BDBM25392
PNG
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
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n/an/a 0.100n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonistic activity for Beta-2 adrenergic receptor was assessed by it's inhibitory effect on spontaneous contractions in isolated rat uterus

J Med Chem 46: 105-12 (2002)


Article DOI: 10.1021/jm020177z
BindingDB Entry DOI: 10.7270/Q2BP03J1
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)		BDBM50002133
PNG
((+/-)-2-(4-((R)-2-((R)-2-(3-chlorophenyl)-2-hydrox...)
Show SMILES C[C@H](Cc1ccc(OCC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H22ClNO4/c1-13(21-11-18(22)15-3-2-4-16(20)10-15)9-14-5-7-17(8-6-14)25-12-19(23)24/h2-8,10,13,18,21-22H,9,11-12H2,1H3,(H,23,24)/t13-,18+/m1/s1
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n/an/a 9.10n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonistic activity for Beta-2 adrenergic receptor was assessed by it's inhibitory effect on spontaneous contractions in isolated rat uterus

J Med Chem 46: 105-12 (2002)


Article DOI: 10.1021/jm020177z
BindingDB Entry DOI: 10.7270/Q2BP03J1
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)


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)


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)


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


(Canis familiaris)		BDBM50122649
PNG
((2-Chloro-4-{2-[2-hydroxy-2-(4-hydroxy-phenyl)-1-m...)
Show SMILES CCOC(=O)COc1ccc(CCNC(C)C(O)c2ccc(O)cc2)cc1Cl
Show InChI InChI=1S/C21H26ClNO5/c1-3-27-20(25)13-28-19-9-4-15(12-18(19)22)10-11-23-14(2)21(26)16-5-7-17(24)8-6-16/h4-9,12,14,21,23-24,26H,3,10-11,13H2,1-2H3
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n/an/a 525n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonistic activity for Beta-2 adrenergic receptor was assessed by it's inhibitory effect on spontaneous contractions in isolated rat uterus

J Med Chem 46: 105-12 (2002)


Article DOI: 10.1021/jm020177z
BindingDB Entry DOI: 10.7270/Q2BP03J1
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)		BDBM50001906
PNG
(4-Methanesulfonylamino-N-[4-(2-methoxy-phenyl)-pip...)
Show SMILES COc1ccccc1N1CCNC(CNC(=O)c2ccc(NS(C)(=O)=O)cc2)C1
Show InChI InChI=1S/C20H26N4O4S/c1-28-19-6-4-3-5-18(19)24-12-11-21-17(14-24)13-22-20(25)15-7-9-16(10-8-15)23-29(2,26)27/h3-10,17,21,23H,11-14H2,1-2H3,(H,22,25)
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n/an/a 630n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Beta-2 adrenergic receptor by displacing [3H]dihydroalprenolol, in partially purified membrane fractions from canine lung ti...

J Med Chem 35: 743-50 (1992)


BindingDB Entry DOI: 10.7270/Q2319TT0
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)		BDBM25392
PNG
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards beta-2 adrenergic receptor in rat soleus membrane by displacing(-)-isoproterenol (50 microM)

J Med Chem 35: 3081-4 (1992)


BindingDB Entry DOI: 10.7270/Q2PR7TWN
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)		BDBM50001900
PNG
(CHEMBL162182 | N-{4-[(4-Phenyl-piperazin-2-ylmethy...)
Show SMILES CS(=O)(=O)Nc1ccc(NCC2CN(CCN2)c2ccccc2)cc1
Show InChI InChI=1S/C18H24N4O2S/c1-25(23,24)21-16-9-7-15(8-10-16)20-13-17-14-22(12-11-19-17)18-5-3-2-4-6-18/h2-10,17,19-21H,11-14H2,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Beta-2 adrenergic receptor by displacing [3H]dihydroalprenolol, in partially purified membrane fractions from canine lung ti...

J Med Chem 35: 743-50 (1992)


BindingDB Entry DOI: 10.7270/Q2319TT0
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)


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


(Canis familiaris)		BDBM50064234
PNG
(CHEMBL41628 | Dicyclopropyl-methanone O-(3-{2-[4-(...)
Show SMILES CC(C)(Cc1ccc(NCC(O)CON=C(C2CC2)C2CC2)cc1)NCC(O)CON=C(C1CC1)C1CC1
Show InChI InChI=1S/C30H46N4O4/c1-30(2,32-17-27(36)19-38-34-29(23-9-10-23)24-11-12-24)15-20-3-13-25(14-4-20)31-16-26(35)18-37-33-28(21-5-6-21)22-7-8-22/h3-4,13-14,21-24,26-27,31-32,35-36H,5-12,15-19H2,1-2H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Grenoble

Curated by ChEMBL


Assay Description
Inhibition of beta-2 adrenergic receptor isolated from rat lung homogenates

J Med Chem 41: 1613-8 (1998)


Article DOI: 10.1021/jm970338c
BindingDB Entry DOI: 10.7270/Q2416W5G
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)		BDBM50064233
PNG
(CHEMBL41149 | Dicyclopropyl-methanone O-{3-[2-(4-a...)
Show SMILES CC(C)(Cc1ccc(N)cc1)NCC(O)CON=C(C1CC1)C1CC1
Show InChI InChI=1S/C20H31N3O2/c1-20(2,11-14-3-9-17(21)10-4-14)22-12-18(24)13-25-23-19(15-5-6-15)16-7-8-16/h3-4,9-10,15-16,18,22,24H,5-8,11-13,21H2,1-2H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Grenoble

Curated by ChEMBL


Assay Description
Inhibition of beta-2 adrenergic receptor isolated from rat lung homogenates

J Med Chem 41: 1613-8 (1998)


Article DOI: 10.1021/jm970338c
BindingDB Entry DOI: 10.7270/Q2416W5G
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)		BDBM50001912
PNG
(4-Methanesulfonylamino-N-(4-phenyl-piperazin-2-ylm...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)C(=O)NCC1CN(CCN1)c1ccccc1
Show InChI InChI=1S/C19H24N4O3S/c1-27(25,26)22-16-9-7-15(8-10-16)19(24)21-13-17-14-23(12-11-20-17)18-5-3-2-4-6-18/h2-10,17,20,22H,11-14H2,1H3,(H,21,24)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Beta-2 adrenergic receptor by displacing [3H]dihydroalprenolol, in partially purified membrane fractions from canine lung ti...

J Med Chem 35: 743-50 (1992)


BindingDB Entry DOI: 10.7270/Q2319TT0
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)		BDBM50001905
PNG
(4-Methanesulfonylamino-N-[4-(3-methoxy-phenyl)-pip...)
Show SMILES COc1cccc(c1)N1CCNC(CNC(=O)c2ccc(NS(C)(=O)=O)cc2)C1
Show InChI InChI=1S/C20H26N4O4S/c1-28-19-5-3-4-18(12-19)24-11-10-21-17(14-24)13-22-20(25)15-6-8-16(9-7-15)23-29(2,26)27/h3-9,12,17,21,23H,10-11,13-14H2,1-2H3,(H,22,25)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Beta-2 adrenergic receptor by displacing [3H]dihydroalprenolol, in partially purified membrane fractions from canine lung ti...

J Med Chem 35: 743-50 (1992)


BindingDB Entry DOI: 10.7270/Q2319TT0
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)		BDBM50001914
PNG
(CHEMBL350432 | N-[4-(3-Chloro-phenyl)-piperazin-2-...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)C(=O)NCC1CN(CCN1)c1cccc(Cl)c1
Show InChI InChI=1S/C19H23ClN4O3S/c1-28(26,27)23-16-7-5-14(6-8-16)19(25)22-12-17-13-24(10-9-21-17)18-4-2-3-15(20)11-18/h2-8,11,17,21,23H,9-10,12-13H2,1H3,(H,22,25)
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n/an/a 3.80E+3n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Beta-2 adrenergic receptor by displacing [3H]dihydroalprenolol, in partially purified membrane fractions from canine lung ti...

J Med Chem 35: 743-50 (1992)


BindingDB Entry DOI: 10.7270/Q2319TT0
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)		BDBM50001910
PNG
(4-(Methanesulfonyl-methyl-amino)-N-(4-phenyl-piper...)
Show SMILES CN(c1ccc(cc1)C(=O)NCC1CN(CCN1)c1ccccc1)S(C)(=O)=O
Show InChI InChI=1S/C20H26N4O3S/c1-23(28(2,26)27)18-10-8-16(9-11-18)20(25)22-14-17-15-24(13-12-21-17)19-6-4-3-5-7-19/h3-11,17,21H,12-15H2,1-2H3,(H,22,25)
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n/an/a 4.30E+3n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Beta-2 adrenergic receptor by displacing [3H]dihydroalprenolol, in partially purified membrane fractions from canine lung ti...

J Med Chem 35: 743-50 (1992)


BindingDB Entry DOI: 10.7270/Q2319TT0
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)		BDBM50001907
PNG
(4-Imidazol-1-yl-N-(4-phenyl-piperazin-2-ylmethyl)-...)
Show SMILES O=C(NCC1CN(CCN1)c1ccccc1)c1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C21H23N5O/c27-21(17-6-8-20(9-7-17)26-12-10-22-16-26)24-14-18-15-25(13-11-23-18)19-4-2-1-3-5-19/h1-10,12,16,18,23H,11,13-15H2,(H,24,27)
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n/an/a 4.30E+3n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Beta-2 adrenergic receptor by displacing [3H]dihydroalprenolol, in partially purified membrane fractions from canine lung ti...

J Med Chem 35: 743-50 (1992)


BindingDB Entry DOI: 10.7270/Q2319TT0
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)


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)


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


(Canis familiaris)		BDBM50001895
PNG
(CHEMBL350581 | N-[4-(4-Phenyl-piperazin-2-ylmethox...)
Show SMILES CS(=O)(=O)Nc1ccc(OCC2CN(CCN2)c2ccccc2)cc1
Show InChI InChI=1S/C18H23N3O3S/c1-25(22,23)20-15-7-9-18(10-8-15)24-14-16-13-21(12-11-19-16)17-5-3-2-4-6-17/h2-10,16,19-20H,11-14H2,1H3
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n/an/a 4.50E+3n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Beta-2 adrenergic receptor by displacing [3H]dihydroalprenolol, in partially purified membrane fractions from canine lung ti...

J Med Chem 35: 743-50 (1992)


BindingDB Entry DOI: 10.7270/Q2319TT0
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)		BDBM50001909
PNG
(CHEMBL163153 | N-(4-{[(4-Phenyl-piperazin-2-ylmeth...)
Show SMILES CS(=O)(=O)Nc1ccc(CNCC2CN(CCN2)c2ccccc2)cc1
Show InChI InChI=1S/C19H26N4O2S/c1-26(24,25)22-17-9-7-16(8-10-17)13-20-14-18-15-23(12-11-21-18)19-5-3-2-4-6-19/h2-10,18,20-22H,11-15H2,1H3
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n/an/a 4.60E+3n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Beta-2 adrenergic receptor by displacing [3H]dihydroalprenolol, in partially purified membrane fractions from canine lung ti...

J Med Chem 35: 743-50 (1992)


BindingDB Entry DOI: 10.7270/Q2319TT0
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 5.00E+3n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
In vitro Beta-2 adrenergic receptor affinity in partially purified membrane fractions from canine lung tissue using [SH]dihydroalprenolol (4.5 nM)

J Med Chem 33: 1087-90 (1990)


BindingDB Entry DOI: 10.7270/Q2DB82FG
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 5.00E+3n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Beta-2 adrenergic receptor by displacing [3H]dihydroalprenolol, in partially purified membrane fractions from canine lung ti...

J Med Chem 35: 743-50 (1992)


BindingDB Entry DOI: 10.7270/Q2319TT0
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)


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)


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


(Canis familiaris)		BDBM50001896
PNG
(CHEMBL165901 | N-(4-Phenyl-piperazin-2-ylmethyl)-b...)
Show SMILES O=C(NCC1CN(CCN1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C18H21N3O/c22-18(15-7-3-1-4-8-15)20-13-16-14-21(12-11-19-16)17-9-5-2-6-10-17/h1-10,16,19H,11-14H2,(H,20,22)
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n/an/a 6.20E+3n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Beta-2 adrenergic receptor by displacing [3H]dihydroalprenolol, in partially purified membrane fractions from canine lung ti...

J Med Chem 35: 743-50 (1992)


BindingDB Entry DOI: 10.7270/Q2319TT0
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)		BDBM50122648
PNG
((alphaS,betaR)(2-Chloro-4-{2-[2-hydroxy-2-(4-hydro...)
Show SMILES C[C@@H](NCCc1ccc(OCC(O)=O)c(Cl)c1)[C@@H](O)c1ccc(O)cc1
Show InChI InChI=1S/C19H22ClNO5/c1-12(19(25)14-3-5-15(22)6-4-14)21-9-8-13-2-7-17(16(20)10-13)26-11-18(23)24/h2-7,10,12,19,21-22,25H,8-9,11H2,1H3,(H,23,24)/t12-,19-/m1/s1
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n/an/a 6.46E+3n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonistic activity for Beta-2 adrenergic receptor was assessed by it's inhibitory effect on spontaneous contractions in isolated rat uterus

J Med Chem 46: 105-12 (2002)


Article DOI: 10.1021/jm020177z
BindingDB Entry DOI: 10.7270/Q2BP03J1
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)


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


(Canis familiaris)		BDBM50064215
PNG
(CHEMBL288624 | Dicyclopropyl-methanone O-[3-(benzo...)
Show SMILES OC(CNc1nc2ccccc2s1)CON=C(C1CC1)C1CC1
Show InChI InChI=1S/C17H21N3O2S/c21-13(10-22-20-16(11-5-6-11)12-7-8-12)9-18-17-19-14-3-1-2-4-15(14)23-17/h1-4,11-13,21H,5-10H2,(H,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Grenoble

Curated by ChEMBL


Assay Description
Inhibition of beta-2 adrenergic receptor isolated from rat lung homogenates

J Med Chem 41: 1613-8 (1998)


Article DOI: 10.1021/jm970338c
BindingDB Entry DOI: 10.7270/Q2416W5G
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)		BDBM50064226
PNG
(4-(3-Dicyclopropylmethyleneaminooxy-2-hydroxy-prop...)
Show SMILES OC(CNc1ccc(cc1)C(O)=O)CON=C(C1CC1)C1CC1
Show InChI InChI=1S/C17H22N2O4/c20-15(9-18-14-7-5-13(6-8-14)17(21)22)10-23-19-16(11-1-2-11)12-3-4-12/h5-8,11-12,15,18,20H,1-4,9-10H2,(H,21,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Grenoble

Curated by ChEMBL


Assay Description
Inhibition of beta-2 adrenergic receptor isolated from rat lung homogenates

J Med Chem 41: 1613-8 (1998)


Article DOI: 10.1021/jm970338c
BindingDB Entry DOI: 10.7270/Q2416W5G
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)		BDBM50064222
PNG
(CHEMBL290150 | Dicyclopropyl-methanone O-[3-(4-flu...)
Show SMILES OC(CNc1ccc(F)cc1)CON=C(C1CC1)C1CC1
Show InChI InChI=1S/C16H21FN2O2/c17-13-5-7-14(8-6-13)18-9-15(20)10-21-19-16(11-1-2-11)12-3-4-12/h5-8,11-12,15,18,20H,1-4,9-10H2
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University of Grenoble

Curated by ChEMBL


Assay Description
Inhibition of beta-2 adrenergic receptor isolated from rat lung homogenates

J Med Chem 41: 1613-8 (1998)


Article DOI: 10.1021/jm970338c
BindingDB Entry DOI: 10.7270/Q2416W5G
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)		BDBM50064211
PNG
(CHEMBL43111 | Dicyclopropyl-methanone O-[2-hydroxy...)
Show SMILES OC(CNc1ccncc1)CON=C(C1CC1)C1CC1
Show InChI InChI=1S/C15H21N3O2/c19-14(9-17-13-5-7-16-8-6-13)10-20-18-15(11-1-2-11)12-3-4-12/h5-8,11-12,14,19H,1-4,9-10H2,(H,16,17)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Grenoble

Curated by ChEMBL


Assay Description
Inhibition of beta-2 adrenergic receptor isolated from rat lung homogenates

J Med Chem 41: 1613-8 (1998)


Article DOI: 10.1021/jm970338c
BindingDB Entry DOI: 10.7270/Q2416W5G
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)		BDBM50064230
PNG
(CHEMBL290024 | Dicyclopropyl-methanone O-[3-(biphe...)
Show SMILES OC(CNc1ccccc1-c1ccccc1)CON=C(C1CC1)C1CC1
Show InChI InChI=1S/C22H26N2O2/c25-19(15-26-24-22(17-10-11-17)18-12-13-18)14-23-21-9-5-4-8-20(21)16-6-2-1-3-7-16/h1-9,17-19,23,25H,10-15H2
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University of Grenoble

Curated by ChEMBL


Assay Description
Inhibition of beta-2 adrenergic receptor isolated from rat lung homogenates

J Med Chem 41: 1613-8 (1998)


Article DOI: 10.1021/jm970338c
BindingDB Entry DOI: 10.7270/Q2416W5G
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)		BDBM50064232
PNG
(CHEMBL288541 | Dicyclopropyl-methanone O-[2-hydrox...)
Show SMILES CN(CC(O)CON=C(C1CC1)C1CC1)c1ccccc1
Show InChI InChI=1S/C17H24N2O2/c1-19(15-5-3-2-4-6-15)11-16(20)12-21-18-17(13-7-8-13)14-9-10-14/h2-6,13-14,16,20H,7-12H2,1H3
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University of Grenoble

Curated by ChEMBL


Assay Description
Inhibition of beta-2 adrenergic receptor isolated from rat lung homogenates

J Med Chem 41: 1613-8 (1998)


Article DOI: 10.1021/jm970338c
BindingDB Entry DOI: 10.7270/Q2416W5G
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)		BDBM50064229
PNG
(CHEMBL42144 | Dicyclopropyl-methanone O-[2-hydroxy...)
Show SMILES OC(CNc1ccc(O)cc1)CON=C(C1CC1)C1CC1
Show InChI InChI=1S/C16H22N2O3/c19-14-7-5-13(6-8-14)17-9-15(20)10-21-18-16(11-1-2-11)12-3-4-12/h5-8,11-12,15,17,19-20H,1-4,9-10H2
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University of Grenoble

Curated by ChEMBL


Assay Description
Inhibition of beta-2 adrenergic receptor isolated from rat lung homogenates

J Med Chem 41: 1613-8 (1998)


Article DOI: 10.1021/jm970338c
BindingDB Entry DOI: 10.7270/Q2416W5G
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)		BDBM50064231
PNG
(CHEMBL297382 | Dicyclopropyl-methanone O-[2-hydrox...)
Show SMILES Cc1ccc(NCC(O)CON=C(C2CC2)C2CC2)nc1
Show InChI InChI=1S/C16H23N3O2/c1-11-2-7-15(17-8-11)18-9-14(20)10-21-19-16(12-3-4-12)13-5-6-13/h2,7-8,12-14,20H,3-6,9-10H2,1H3,(H,17,18)
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University of Grenoble

Curated by ChEMBL


Assay Description
Inhibition of beta-2 adrenergic receptor isolated from rat lung homogenates

J Med Chem 41: 1613-8 (1998)


Article DOI: 10.1021/jm970338c
BindingDB Entry DOI: 10.7270/Q2416W5G
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)		BDBM50064227
PNG
(CHEMBL40412 | Dicyclopropyl-methanone O-[2-hydroxy...)
Show SMILES OC(CNc1cccc(I)c1)CON=C(C1CC1)C1CC1
Show InChI InChI=1S/C16H21IN2O2/c17-13-2-1-3-14(8-13)18-9-15(20)10-21-19-16(11-4-5-11)12-6-7-12/h1-3,8,11-12,15,18,20H,4-7,9-10H2
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University of Grenoble

Curated by ChEMBL


Assay Description
Inhibition of beta-2 adrenergic receptor isolated from rat lung homogenates

J Med Chem 41: 1613-8 (1998)


Article DOI: 10.1021/jm970338c
BindingDB Entry DOI: 10.7270/Q2416W5G
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)		BDBM50064220
PNG
(CHEMBL42267 | Dicyclopropyl-methanone O-{2-hydroxy...)
Show SMILES CC(C)(Cc1ccc(NCC(O)CO[N-][C+](C2CC2)C2CC2)cc1)[N+]([O-])=O
Show InChI InChI=1S/C20H29N3O4/c1-20(2,23(25)26)11-14-3-9-17(10-4-14)21-12-18(24)13-27-22-19(15-5-6-15)16-7-8-16/h3-4,9-10,15-16,18,21,24H,5-8,11-13H2,1-2H3
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University of Grenoble

Curated by ChEMBL


Assay Description
Inhibition of beta-2 adrenergic receptor isolated from rat lung homogenates

J Med Chem 41: 1613-8 (1998)


Article DOI: 10.1021/jm970338c
BindingDB Entry DOI: 10.7270/Q2416W5G
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)		BDBM50064217
PNG
(CHEMBL43850 | Dicyclopropyl-methanone O-[3-(1H-ben...)
Show SMILES OC(CNc1nc2ccccc2[nH]1)CON=C(C1CC1)C1CC1
Show InChI InChI=1S/C17H22N4O2/c22-13(10-23-21-16(11-5-6-11)12-7-8-12)9-18-17-19-14-3-1-2-4-15(14)20-17/h1-4,11-13,22H,5-10H2,(H2,18,19,20)
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University of Grenoble

Curated by ChEMBL


Assay Description
Inhibition of beta-2 adrenergic receptor isolated from rat lung homogenates

J Med Chem 41: 1613-8 (1998)


Article DOI: 10.1021/jm970338c
BindingDB Entry DOI: 10.7270/Q2416W5G
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)		BDBM50064228
PNG
(CHEMBL296093 | Dicyclopropyl-methanone O-[3-(4-chl...)
Show SMILES OC(CNc1ccc(Cl)cc1)CON=C(C1CC1)C1CC1
Show InChI InChI=1S/C16H21ClN2O2/c17-13-5-7-14(8-6-13)18-9-15(20)10-21-19-16(11-1-2-11)12-3-4-12/h5-8,11-12,15,18,20H,1-4,9-10H2
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University of Grenoble

Curated by ChEMBL


Assay Description
Inhibition of beta-2 adrenergic receptor isolated from rat lung homogenates

J Med Chem 41: 1613-8 (1998)


Article DOI: 10.1021/jm970338c
BindingDB Entry DOI: 10.7270/Q2416W5G
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)		BDBM50064208
PNG
(CHEMBL40679 | Dicyclopropyl-methanone O-(2-hydroxy...)
Show SMILES Cc1ccccc1NCC(O)CON=C(C1CC1)C1CC1
Show InChI InChI=1S/C17H24N2O2/c1-12-4-2-3-5-16(12)18-10-15(20)11-21-19-17(13-6-7-13)14-8-9-14/h2-5,13-15,18,20H,6-11H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Grenoble

Curated by ChEMBL


Assay Description
Inhibition of beta-2 adrenergic receptor isolated from rat lung homogenates

J Med Chem 41: 1613-8 (1998)


Article DOI: 10.1021/jm970338c
BindingDB Entry DOI: 10.7270/Q2416W5G
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)		BDBM50064205
PNG
(CHEMBL42117 | Dicyclopropyl-methanone O-[3-(4-tert...)
Show SMILES CC(C)(C)c1ccc(NCC(O)CON=C(C2CC2)C2CC2)cc1
Show InChI InChI=1S/C20H30N2O2/c1-20(2,3)16-8-10-17(11-9-16)21-12-18(23)13-24-22-19(14-4-5-14)15-6-7-15/h8-11,14-15,18,21,23H,4-7,12-13H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Grenoble

Curated by ChEMBL


Assay Description
Inhibition of beta-2 adrenergic receptor isolated from rat lung homogenates

J Med Chem 41: 1613-8 (1998)


Article DOI: 10.1021/jm970338c
BindingDB Entry DOI: 10.7270/Q2416W5G
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)		BDBM50064204
PNG
(CHEMBL295241 | Dicyclopropyl-methanone O-[3-(biphe...)
Show SMILES OC(CNc1ccc(cc1)-c1ccccc1)CON=C(C1CC1)C1CC1
Show InChI InChI=1S/C22H26N2O2/c25-21(15-26-24-22(18-6-7-18)19-8-9-19)14-23-20-12-10-17(11-13-20)16-4-2-1-3-5-16/h1-5,10-13,18-19,21,23,25H,6-9,14-15H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Grenoble

Curated by ChEMBL


Assay Description
Inhibition of beta-2 adrenergic receptor isolated from rat lung homogenates

J Med Chem 41: 1613-8 (1998)


Article DOI: 10.1021/jm970338c
BindingDB Entry DOI: 10.7270/Q2416W5G
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)		BDBM50064207
PNG
(CHEMBL40217 | Dicyclopropyl-methanone O-(2-hydroxy...)
Show SMILES Cc1ccc(NCC(O)CON=C(C2CC2)C2CC2)cc1
Show InChI InChI=1S/C17H24N2O2/c1-12-2-8-15(9-3-12)18-10-16(20)11-21-19-17(13-4-5-13)14-6-7-14/h2-3,8-9,13-14,16,18,20H,4-7,10-11H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Grenoble

Curated by ChEMBL


Assay Description
Inhibition of beta-2 adrenergic receptor isolated from rat lung homogenates

J Med Chem 41: 1613-8 (1998)


Article DOI: 10.1021/jm970338c
BindingDB Entry DOI: 10.7270/Q2416W5G
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)		BDBM50064209
PNG
(CHEMBL40436 | Dicyclopropyl-methanone O-[2-hydroxy...)
Show SMILES Cc1cccc(NCC(O)CON=C(C2CC2)C2CC2)n1
Show InChI InChI=1S/C16H23N3O2/c1-11-3-2-4-15(18-11)17-9-14(20)10-21-19-16(12-5-6-12)13-7-8-13/h2-4,12-14,20H,5-10H2,1H3,(H,17,18)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Grenoble

Curated by ChEMBL


Assay Description
Inhibition of beta-2 adrenergic receptor isolated from rat lung homogenates

J Med Chem 41: 1613-8 (1998)


Article DOI: 10.1021/jm970338c
BindingDB Entry DOI: 10.7270/Q2416W5G
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)		BDBM50064210
PNG
(CHEMBL43046 | Dicyclopropyl-methanone O-{3-[4-(2-a...)
Show SMILES CC(C)(N)Cc1ccc(NCC(O)CON=C(C2CC2)C2CC2)cc1
Show InChI InChI=1S/C20H31N3O2/c1-20(2,21)11-14-3-9-17(10-4-14)22-12-18(24)13-25-23-19(15-5-6-15)16-7-8-16/h3-4,9-10,15-16,18,22,24H,5-8,11-13,21H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Grenoble

Curated by ChEMBL


Assay Description
Inhibition of beta-2 adrenergic receptor isolated from rat lung homogenates

J Med Chem 41: 1613-8 (1998)


Article DOI: 10.1021/jm970338c
BindingDB Entry DOI: 10.7270/Q2416W5G
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)		BDBM50064213
PNG
(CHEMBL42895 | Dicyclopropylmethanone O-(3-anilino-...)
Show SMILES OC(CNc1ccccc1)CON=C(C1CC1)C1CC1
Show InChI InChI=1S/C16H22N2O2/c19-15(10-17-14-4-2-1-3-5-14)11-20-18-16(12-6-7-12)13-8-9-13/h1-5,12-13,15,17,19H,6-11H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Grenoble

Curated by ChEMBL


Assay Description
Inhibition of beta-2 adrenergic receptor isolated from rat lung homogenates

J Med Chem 41: 1613-8 (1998)


Article DOI: 10.1021/jm970338c
BindingDB Entry DOI: 10.7270/Q2416W5G
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)		BDBM50064206
PNG
(CHEMBL44711 | Dicyclopropyl-methanone O-(2-hydroxy...)
Show SMILES Cc1cccc(NCC(O)CON=C(C2CC2)C2CC2)c1
Show InChI InChI=1S/C17H24N2O2/c1-12-3-2-4-15(9-12)18-10-16(20)11-21-19-17(13-5-6-13)14-7-8-14/h2-4,9,13-14,16,18,20H,5-8,10-11H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Grenoble

Curated by ChEMBL


Assay Description
Inhibition of beta-2 adrenergic receptor isolated from rat lung homogenates

J Med Chem 41: 1613-8 (1998)


Article DOI: 10.1021/jm970338c
BindingDB Entry DOI: 10.7270/Q2416W5G
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)		BDBM50064214
PNG
(CHEMBL42337 | Dicyclopropyl-methanone O-[2-hydroxy...)
Show SMILES OC(CNc1ccc(cc1)C(F)(F)F)CON=C(C1CC1)C1CC1
Show InChI InChI=1S/C17H21F3N2O2/c18-17(19,20)13-5-7-14(8-6-13)21-9-15(23)10-24-22-16(11-1-2-11)12-3-4-12/h5-8,11-12,15,21,23H,1-4,9-10H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Grenoble

Curated by ChEMBL


Assay Description
Inhibition of beta-2 adrenergic receptor isolated from rat lung homogenates

J Med Chem 41: 1613-8 (1998)


Article DOI: 10.1021/jm970338c
BindingDB Entry DOI: 10.7270/Q2416W5G
More data for this
Ligand-Target Pair
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