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Compile Data Set for Download or QSAR

Found 15 hits of ec50 for UniProtKB: P07550   
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-1/Beta-2/Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50224296
PNG
(CHEMBL161974)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1F
Show InChI InChI=1S/C11H16FNO3/c1-6(2)13-5-9(15)7-3-4-8(14)11(16)10(7)12/h3-4,6,9,13-16H,5H2,1-2H3
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n/an/an/an/a 10n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells

J Med Chem 25: 680-4 (1982)


BindingDB Entry DOI: 10.7270/Q24X59ZB
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


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



Wyeth-Ayerst Research

Curated by ChEMBL


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

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


BindingDB Entry DOI: 10.7270/Q26D5S92
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50224297
PNG
(CHEMBL158865)
Show SMILES CC(C)NCC(O)c1cc(O)c(O)c(F)c1
Show InChI InChI=1S/C11H16FNO3/c1-6(2)13-5-10(15)7-3-8(12)11(16)9(14)4-7/h3-4,6,10,13-16H,5H2,1-2H3
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n/an/an/an/a 20n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells

J Med Chem 25: 680-4 (1982)


BindingDB Entry DOI: 10.7270/Q24X59ZB
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Homo sapiens (Human))		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/an/an/a 30n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Rap1A-mediated geranylgeranylation expressed in mouse NIH3T3 cells

J Med Chem 25: 680-4 (1982)


BindingDB Entry DOI: 10.7270/Q24X59ZB
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50019355
PNG
(1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...)
Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(OC)c1OC
Show InChI InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3
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n/an/an/an/a 31n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its intrinsic activity against beta adrenergic receptor of isolated guinea pig atrial pairs

J Med Chem 29: 2381-4 (1986)


BindingDB Entry DOI: 10.7270/Q2000499
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


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



Wyeth-Ayerst Research

Curated by ChEMBL


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

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


BindingDB Entry DOI: 10.7270/Q26D5S92
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50029051
PNG
((-)-arterenol | (-)-noradrenaline | (-)-norepineph...)
Show SMILES NC[C@H](O)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
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n/an/an/an/a 2.60E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells

J Med Chem 25: 680-4 (1982)


BindingDB Entry DOI: 10.7270/Q24X59ZB
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50067212
PNG
(CHEBI:8093 | Cyclomydril | Duo-Medihaler | Phenyle...)
Show SMILES CNC[C@H](O)c1cccc(O)c1 |r|
Show InChI InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1
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n/an/an/an/a 6.00E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells

J Med Chem 25: 680-4 (1982)


BindingDB Entry DOI: 10.7270/Q24X59ZB
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


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


TBA

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

Citation and Details

BindingDB Entry DOI: 10.7270/Q2W09846
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50212981
PNG
(CHEMBL543099 | SR-59062A)
Show SMILES Cl.CCOC(=O)CCc1ccc2CC[C@H](Cc2c1)NC[C@H](O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C23H28ClNO3.ClH/c1-2-28-23(27)11-7-16-6-8-17-9-10-21(14-19(17)12-16)25-15-22(26)18-4-3-5-20(24)13-18;/h3-6,8,12-13,21-22,25-26H,2,7,9-11,14-15H2,1H3;1H/t21-,22+;/m1./s1
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n/an/an/an/a>3.00E+4n/an/an/an/a


TBA

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

Citation and Details

BindingDB Entry DOI: 10.7270/Q2W09846
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


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


TBA

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

Citation and Details

BindingDB Entry DOI: 10.7270/Q2W09846
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


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


TBA

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

Citation and Details

BindingDB Entry DOI: 10.7270/Q2W09846
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


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


TBA

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

Citation and Details

BindingDB Entry DOI: 10.7270/Q2W09846
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50224298
PNG
(CHEMBL159016)
Show SMILES CC(C)NCC(O)c1cc(O)c(O)cc1F
Show InChI InChI=1S/C11H16FNO3/c1-6(2)13-5-11(16)7-3-9(14)10(15)4-8(7)12/h3-4,6,11,13-16H,5H2,1-2H3
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n/an/an/an/a 3.00E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Rap1A-mediated geranylgeranylation expressed in mouse NIH3T3 cells

J Med Chem 25: 680-4 (1982)


BindingDB Entry DOI: 10.7270/Q24X59ZB
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


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


TBA

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

Citation and Details

BindingDB Entry DOI: 10.7270/Q2W09846
More data for this
Ligand-Target Pair