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Compile Data Set for Download or QSAR

Found 809 hits Enz. Inhib. hit(s) with Target = 'Adrenergic receptor beta'   
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


(Rattus norvegicus)
BDBM50409468
PNG
(CHEMBL32670)
Show SMILES C[C@H](NCCc1ccc(NCC(O)=O)c(Cl)c1)[C@H](O)c1ccc(O)cc1
Show InChI InChI=1S/C19H23ClN2O4/c1-12(19(26)14-3-5-15(23)6-4-14)21-9-8-13-2-7-17(16(20)10-13)22-11-18(24)25/h2-7,10,12,19,21-23,26H,8-9,11H2,1H3,(H,24,25)/t12-,19-/m0/s1
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n/an/an/an/a 0.933n/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonistic activity towards beta-3 adrenoceptor. Mean concentration required to produce 50% relaxation of detrusor before the addition in the ferret d...


J Med Chem 44: 1436-45 (2001)


Article DOI: 10.1021/jm000455z
BindingDB Entry DOI: 10.7270/Q2Q52QVH
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
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/an/an/a 2.19n/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonistic activity towards beta-3 adrenoceptor. Mean concentration required to produce 50% relaxation of detrusor before the addition in the ferret d...


J Med Chem 44: 1436-45 (2001)


Article DOI: 10.1021/jm000455z
BindingDB Entry DOI: 10.7270/Q2Q52QVH
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50002134
PNG
(5-((2R)-2-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl...)
Show SMILES C[C@H](Cc1ccc2OC(Oc2c1)(C([O-])=O)C([O-])=O)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H20ClNO7/c1-11(22-10-15(23)13-3-2-4-14(21)9-13)7-12-5-6-16-17(8-12)29-20(28-16,18(24)25)19(26)27/h2-6,8-9,11,15,22-23H,7,10H2,1H3,(H,24,25)(H,26,27)/p-2/t11-,15+/m1/s1
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n/an/an/an/a 3n/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for beta-adrenergic activity against beta-3 adrenergic receptor in rat epididymal fat pads by stimulation of glycerol...


J Med Chem 35: 3081-4 (1992)


Article DOI: 10.1021/jm00094a025
BindingDB Entry DOI: 10.7270/Q2PR7TWN
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50379086
PNG
(CHEMBL2012521 | CHEMBL2012522 | LY-377604)
Show SMILES CC(C)(Cc1ccc(Oc2ccc(cn2)C(N)=O)cc1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1/C31H32N4O4/c1-31(2,16-20-10-13-23(14-11-20)39-28-15-12-21(17-33-28)30(32)37)34-18-22(36)19-38-27-9-5-8-26-29(27)24-6-3-4-7-25(24)35-26/h3-15,17,22,34-36H,16,18-19H2,1-2H3,(H2,32,37)/t22-/s2
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n/an/an/an/a 5n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at rat adrenergic beta3 receptor expressed in DHB-11 CHO cells assessed as cAMP accumulation after 20 mins by scintillation proximit...


ACS Med Chem Lett 2: 583-586 (2011)


Article DOI: 10.1021/ml200071k
BindingDB Entry DOI: 10.7270/Q20R9QDP
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50409471
PNG
(CHEMBL32586)
Show SMILES C[C@H](NCCc1ccc(NC(C)(C)C(O)=O)cc1Cl)[C@H](O)c1ccc(O)cc1
Show InChI InChI=1S/C21H27ClN2O4/c1-13(19(26)15-5-8-17(25)9-6-15)23-11-10-14-4-7-16(12-18(14)22)24-21(2,3)20(27)28/h4-9,12-13,19,23-26H,10-11H2,1-3H3,(H,27,28)/t13-,19-/m0/s1
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n/an/an/an/a 5.62n/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonistic activity towards beta-3 adrenoceptor. Mean concentration required to produce 50% relaxation of detrusor before the addition in the ferret d...


J Med Chem 44: 1436-45 (2001)


Article DOI: 10.1021/jm000455z
BindingDB Entry DOI: 10.7270/Q2Q52QVH
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50224021
PNG
((S)-6-(4-(2-(3-(3,3-dimethyl-2-oxoindolin-4-yloxy)...)
Show SMILES CC(C)(Cc1ccc(Oc2ccc(cn2)C(N)=O)cc1)NC[C@H](O)COc1cccc2NC(=O)C(C)(C)c12
Show InChI InChI=1S/C29H34N4O5/c1-28(2,14-18-8-11-21(12-9-18)38-24-13-10-19(15-31-24)26(30)35)32-16-20(34)17-37-23-7-5-6-22-25(23)29(3,4)27(36)33-22/h5-13,15,20,32,34H,14,16-17H2,1-4H3,(H2,30,35)(H,33,36)/t20-/m0/s1
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n/an/an/an/a 6.5n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Agonist activity at rat beta-3 adrenergic receptor


Bioorg Med Chem Lett 17: 6270-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.011
BindingDB Entry DOI: 10.7270/Q22V2FV6
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50193805
PNG
((S)-6-(4-(2-(3-(3-(2-cyclopropylethyl)-2-oxo-2,3-d...)
Show SMILES CC(C)(Cc1ccc(Oc2ccc(cn2)C(N)=O)cc1)NC[C@H](O)COc1cccc2[nH]c(=O)n(CCC3CC3)c12
Show InChI InChI=1S/C31H37N5O5/c1-31(2,16-21-8-11-24(12-9-21)41-27-13-10-22(17-33-27)29(32)38)34-18-23(37)19-40-26-5-3-4-25-28(26)36(30(39)35-25)15-14-20-6-7-20/h3-5,8-13,17,20,23,34,37H,6-7,14-16,18-19H2,1-2H3,(H2,32,38)(H,35,39)/t23-/m0/s1
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n/an/an/an/a 6.80n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Agonist activity at rat beta-3 adrenergic receptor expressed in CHO cells assessed as cAMP levels


Bioorg Med Chem Lett 16: 5691-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.010
BindingDB Entry DOI: 10.7270/Q2251HVR
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM25392
PNG
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1/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 7n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Beta adrenergic receptor agonistic activity for the stimulation of accumulation of cyclic AMP in cultured C6 glioma cells


J Med Chem 34: 1063-8 (1991)


Article DOI: 10.1021/jm00107a027
BindingDB Entry DOI: 10.7270/Q2765D9R
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50409479
PNG
(CHEMBL32933)
Show SMILES C[C@H](NCCc1ccc(NCC(O)=O)cc1Cl)[C@H](O)c1ccc(O)cc1
Show InChI InChI=1S/C19H23ClN2O4/c1-12(19(26)14-3-6-16(23)7-4-14)21-9-8-13-2-5-15(10-17(13)20)22-11-18(24)25/h2-7,10,12,19,21-23,26H,8-9,11H2,1H3,(H,24,25)/t12-,19-/m0/s1
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n/an/an/an/a 7.24n/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonistic activity towards beta-3 adrenoceptor. Mean concentration required to produce 50% relaxation of detrusor before the addition in the ferret d...


J Med Chem 44: 1436-45 (2001)


Article DOI: 10.1021/jm000455z
BindingDB Entry DOI: 10.7270/Q2Q52QVH
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50007476
PNG
(4-(3-tert-Butylamino-2-hydroxy-propoxy)-benzene-1,...)
Show SMILES CC(C)(C)NCC(O)COc1ccc(O)c(O)c1
Show InChI InChI=1/C13H21NO4/c1-13(2,3)14-7-9(15)8-18-10-4-5-11(16)12(17)6-10/h4-6,9,14-17H,7-8H2,1-3H3
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n/an/an/an/a 8.20n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Beta adrenergic receptor agonistic activity for the stimulation of accumulation of cyclic AMP in cultured C6 glioma cells


J Med Chem 34: 1063-8 (1991)


Article DOI: 10.1021/jm00107a027
BindingDB Entry DOI: 10.7270/Q2765D9R
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
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/an/an/a 8.40n/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for beta-adrenergic activity against beta-3 adrenergic receptor in rat epididymal fat pads by stimulation of glycerol...


J Med Chem 35: 3081-4 (1992)


Article DOI: 10.1021/jm00094a025
BindingDB Entry DOI: 10.7270/Q2PR7TWN
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50007477
PNG
(4-(3-tert-Butylamino-2-hydroxy-propoxy)-3-fluoro-b...)
Show SMILES CC(C)(C)NCC(O)COc1ccc(O)c(O)c1F
Show InChI InChI=1/C13H20FNO4/c1-13(2,3)15-6-8(16)7-19-10-5-4-9(17)12(18)11(10)14/h4-5,8,15-18H,6-7H2,1-3H3
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n/an/an/an/a 9.20n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Activity was evaluated by measuring the inhibition of isolated hog H+/K+ ATPase


J Med Chem 34: 1063-8 (1991)


Article DOI: 10.1021/jm00107a027
BindingDB Entry DOI: 10.7270/Q2765D9R
More data for this
Ligand-Target Pair
Adrenergic receptor beta


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



Wyeth-Ayerst Research

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50224296
PNG
(CHEMBL161974)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1F
Show InChI InChI=1/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)


Article DOI: 10.1021/jm00348a014
BindingDB Entry DOI: 10.7270/Q24X59ZB
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50409483
PNG
(CHEMBL32115)
Show SMILES C[C@H](NCCc1ccc(N(C)CC(O)=O)c(Cl)c1)[C@H](O)c1ccc(O)cc1
Show InChI InChI=1S/C20H25ClN2O4/c1-13(20(27)15-4-6-16(24)7-5-15)22-10-9-14-3-8-18(17(21)11-14)23(2)12-19(25)26/h3-8,11,13,20,22,24,27H,9-10,12H2,1-2H3,(H,25,26)/t13-,20-/m0/s1
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n/an/an/an/a 11.0n/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonistic activity towards beta-3 adrenoceptor. Mean concentration required to produce 50% relaxation of detrusor before the addition in the ferret d...


J Med Chem 44: 1436-45 (2001)


Article DOI: 10.1021/jm000455z
BindingDB Entry DOI: 10.7270/Q2Q52QVH
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50156304
PNG
(3-benzenesulfonyl-4-ethoxy-furazan 2-oxide | 4-eth...)
Show SMILES CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C10H10N2O5S/c1-2-16-9-10(12(13)17-11-9)18(14,15)8-6-4-3-5-7-8/h3-7H,2H2,1H3
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n/an/an/an/a 12n/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Vasodilating activity against phenylephrine-induced contractions in rat thoracic aorta


J Med Chem 50: 5003-11 (2007)


Article DOI: 10.1021/jm0704595
BindingDB Entry DOI: 10.7270/Q28P61B5
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50409484
PNG
(CHEMBL32470)
Show SMILES C[C@H](NCCc1ccc(cc1)N(CC(O)=O)Cc1ccccc1)[C@H](O)c1ccc(O)cc1
Show InChI InChI=1S/C26H30N2O4/c1-19(26(32)22-9-13-24(29)14-10-22)27-16-15-20-7-11-23(12-8-20)28(18-25(30)31)17-21-5-3-2-4-6-21/h2-14,19,26-27,29,32H,15-18H2,1H3,(H,30,31)/t19-,26-/m0/s1
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n/an/an/an/a 12.9n/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonistic activity towards beta-3 adrenoceptor. Mean concentration required to produce 50% relaxation of detrusor before the addition in the ferret d...


J Med Chem 44: 1436-45 (2001)


Article DOI: 10.1021/jm000455z
BindingDB Entry DOI: 10.7270/Q2Q52QVH
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50218164
PNG
((R)-2-(2-(4-(2-methylthiazol-4-yl)phenoxy)ethylami...)
Show SMILES Cc1nc(cs1)-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C19H21N3O2S/c1-14-22-18(13-25-14)15-4-6-17(7-5-15)24-10-9-21-12-19(23)16-3-2-8-20-11-16/h2-8,11,13,19,21,23H,9-10,12H2,1H3/t19-/m0/s1
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n/an/an/an/a 13n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at rat adrenergic beta-3 receptor assessed as cAMP production


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM25392
PNG
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1/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 13n/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for beta adrenergic receptor activity against beta-3 adrenergic receptor in rat epididymal fat pads by stimulation of...


J Med Chem 35: 3081-4 (1992)


Article DOI: 10.1021/jm00094a025
BindingDB Entry DOI: 10.7270/Q2PR7TWN
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50221772
PNG
(5-(2-{2-[4-(4-benzenesulfonyl-5-oxy-furazan-3-ylox...)
Show SMILES CC(Cc1ccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1)NCC(O)c1cc(O)cc(O)c1
Show InChI InChI=1/C25H25N3O8S/c1-16(26-15-23(31)18-12-19(29)14-20(30)13-18)11-17-7-9-21(10-8-17)35-24-25(28(32)36-27-24)37(33,34)22-5-3-2-4-6-22/h2-10,12-14,16,23,26,29-31H,11,15H2,1H3
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n/an/an/an/a 14n/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Vasodilating activity against phenylephrine-induced contractions in rat thoracic aorta


J Med Chem 50: 5003-11 (2007)


Article DOI: 10.1021/jm0704595
BindingDB Entry DOI: 10.7270/Q28P61B5
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50221772
PNG
(5-(2-{2-[4-(4-benzenesulfonyl-5-oxy-furazan-3-ylox...)
Show SMILES CC(Cc1ccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1)NCC(O)c1cc(O)cc(O)c1
Show InChI InChI=1/C25H25N3O8S/c1-16(26-15-23(31)18-12-19(29)14-20(30)13-18)11-17-7-9-21(10-8-17)35-24-25(28(32)36-27-24)37(33,34)22-5-3-2-4-6-22/h2-10,12-14,16,23,26,29-31H,11,15H2,1H3
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n/an/an/an/a 14n/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Vasodilating activity against phenylephrine-induced contractions in rat thoracic aorta


J Med Chem 50: 5003-11 (2007)


Article DOI: 10.1021/jm0704595
BindingDB Entry DOI: 10.7270/Q28P61B5
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50409472
PNG
(CHEMBL32391)
Show SMILES C[C@H](NCCc1cc(Cl)c(NCC(O)=O)c(Cl)c1)[C@H](O)c1ccc(O)cc1
Show InChI InChI=1S/C19H22Cl2N2O4/c1-11(19(27)13-2-4-14(24)5-3-13)22-7-6-12-8-15(20)18(16(21)9-12)23-10-17(25)26/h2-5,8-9,11,19,22-24,27H,6-7,10H2,1H3,(H,25,26)/t11-,19-/m0/s1
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n/an/an/an/a 14.1n/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonistic activity towards beta-3 adrenoceptor. Mean concentration required to produce 50% relaxation of detrusor before the addition in the ferret d...


J Med Chem 44: 1436-45 (2001)


Article DOI: 10.1021/jm000455z
BindingDB Entry DOI: 10.7270/Q2Q52QVH
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50002132
PNG
((4-{(R)-2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethyl...)
Show SMILES COC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C20H24ClNO4/c1-14(22-12-19(23)16-4-3-5-17(21)11-16)10-15-6-8-18(9-7-15)26-13-20(24)25-2/h3-9,11,14,19,22-23H,10,12-13H2,1-2H3/t14-,19+/m1/s1
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n/an/an/an/a 16n/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for beta-adrenergic activity against beta-3 adrenergic receptor in rat epididymal fat pads by stimulation of glycerol...


J Med Chem 35: 3081-4 (1992)


Article DOI: 10.1021/jm00094a025
BindingDB Entry DOI: 10.7270/Q2PR7TWN
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50348430
PNG
(CHEMBL1800963 | US9492405, 44)
Show SMILES COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)c2ccccc12
Show InChI InChI=1/C22H25NO4/c1-14(23-13-21(26)16-10-17(24)12-18(25)11-16)9-15-7-8-22(27-2)20-6-4-3-5-19(15)20/h3-8,10-12,14,21,23-26H,9,13H2,1-2H3/t14-,21+/s2
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n/an/an/an/a 16n/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Agonist activity beta2-adrenergic receptor in rat ventricular myocytes assessed as cell contraction following electrical stimulation by optical edge ...


Bioorg Med Chem 18: 728-36 (2010)


Article DOI: 10.1016/j.bmc.2009.11.062
BindingDB Entry DOI: 10.7270/Q2R78FJF
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human))
BDBM50224297
PNG
(CHEMBL158865)
Show SMILES CC(C)NCC(O)c1cc(O)c(O)c(F)c1
Show InChI InChI=1/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)


Article DOI: 10.1021/jm00348a014
BindingDB Entry DOI: 10.7270/Q24X59ZB
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50409482
PNG
(CHEMBL35459)
Show SMILES C[C@H](NCCc1ccc(NC(C)(C)C(O)=O)cc1)[C@H](O)c1ccc(O)cc1
Show InChI InChI=1S/C21H28N2O4/c1-14(19(25)16-6-10-18(24)11-7-16)22-13-12-15-4-8-17(9-5-15)23-21(2,3)20(26)27/h4-11,14,19,22-25H,12-13H2,1-3H3,(H,26,27)/t14-,19-/m0/s1
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n/an/an/an/a 22.9n/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonistic activity towards beta-3 adrenoceptor. Mean concentration required to produce 50% relaxation of detrusor before the addition in the ferret d...


J Med Chem 44: 1436-45 (2001)


Article DOI: 10.1021/jm000455z
BindingDB Entry DOI: 10.7270/Q2Q52QVH
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50409470
PNG
(CHEMBL32532)
Show SMILES C[C@H](NCCc1ccc(NCC(O)=O)cc1)[C@H](O)c1ccc(O)cc1
Show InChI InChI=1S/C19H24N2O4/c1-13(19(25)15-4-8-17(22)9-5-15)20-11-10-14-2-6-16(7-3-14)21-12-18(23)24/h2-9,13,19-22,25H,10-12H2,1H3,(H,23,24)/t13-,19-/m0/s1
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n/an/an/an/a 24.0n/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonistic activity towards beta-3 adrenoceptor. Mean concentration required to produce 50% relaxation of detrusor before the addition in the ferret d...


J Med Chem 44: 1436-45 (2001)


Article DOI: 10.1021/jm000455z
BindingDB Entry DOI: 10.7270/Q2Q52QVH
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50193803
PNG
((S)-6-(4-(2-(2-hydroxy-3-(3-methyl-2-oxo-2,3-dihyd...)
Show SMILES Cn1c2c(OC[C@@H](O)CNC(C)(C)Cc3ccc(Oc4ccc(cn4)C(N)=O)cc3)cccc2[nH]c1=O
Show InChI InChI=1S/C27H31N5O5/c1-27(2,13-17-7-10-20(11-8-17)37-23-12-9-18(14-29-23)25(28)34)30-15-19(33)16-36-22-6-4-5-21-24(22)32(3)26(35)31-21/h4-12,14,19,30,33H,13,15-16H2,1-3H3,(H2,28,34)(H,31,35)/t19-/m0/s1
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n/an/an/an/a 25n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Agonist activity at rat beta-3 adrenergic receptor expressed in CHO cells assessed as cAMP levels


Bioorg Med Chem Lett 16: 5691-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.010
BindingDB Entry DOI: 10.7270/Q2251HVR
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50002134
PNG
(5-((2R)-2-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl...)
Show SMILES C[C@H](Cc1ccc2OC(Oc2c1)(C([O-])=O)C([O-])=O)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H20ClNO7/c1-11(22-10-15(23)13-3-2-4-14(21)9-13)7-12-5-6-16-17(8-12)29-20(28-16,18(24)25)19(26)27/h2-6,8-9,11,15,22-23H,7,10H2,1H3,(H,24,25)(H,26,27)/p-2/t11-,15+/m1/s1
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n/an/an/an/a 25.1n/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonistic activity towards beta-3 adrenoceptor. Mean concentration required to produce 50% relaxation of detrusor before the addition in the ferret d...


J Med Chem 44: 1436-45 (2001)


Article DOI: 10.1021/jm000455z
BindingDB Entry DOI: 10.7270/Q2Q52QVH
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50218165
PNG
((R)-1-(pyridin-3-yl)-2-(2-(4-(thiazol-4-yl)phenoxy...)
Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1cscn1)c1cccnc1
Show InChI InChI=1S/C18H19N3O2S/c22-18(15-2-1-7-19-10-15)11-20-8-9-23-16-5-3-14(4-6-16)17-12-24-13-21-17/h1-7,10,12-13,18,20,22H,8-9,11H2/t18-/m0/s1
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n/an/an/an/a 26n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at rat adrenergic beta-3 receptor assessed as cAMP production


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50193804
PNG
((S)-6-(4-(2-(3-(3-(2-cyclobutylethyl)-2-oxo-2,3-di...)
Show SMILES CC(C)(Cc1ccc(Oc2ccc(cn2)C(N)=O)cc1)NC[C@H](O)COc1cccc2[nH]c(=O)n(CCC3CCC3)c12
Show InChI InChI=1S/C32H39N5O5/c1-32(2,17-22-9-12-25(13-10-22)42-28-14-11-23(18-34-28)30(33)39)35-19-24(38)20-41-27-8-4-7-26-29(27)37(31(40)36-26)16-15-21-5-3-6-21/h4,7-14,18,21,24,35,38H,3,5-6,15-17,19-20H2,1-2H3,(H2,33,39)(H,36,40)/t24-/m0/s1
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n/an/an/an/a 29n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Agonist activity at rat beta-3 adrenergic receptor expressed in CHO cells assessed as cAMP levels


Bioorg Med Chem Lett 16: 5691-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.010
BindingDB Entry DOI: 10.7270/Q2251HVR
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(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=1/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)


Article DOI: 10.1021/jm00348a014
BindingDB Entry DOI: 10.7270/Q24X59ZB
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(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=1/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)


Article DOI: 10.1021/jm00161a039
BindingDB Entry DOI: 10.7270/Q2000499
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50019059
PNG
((+/-)3-Fluoro-4-(1-hydroxy-2-methylamino-ethyl)-be...)
Show SMILES CNCC(O)c1ccc(O)c(O)c1F
Show InChI InChI=1/C9H12FNO3/c1-11-4-7(13)5-2-3-6(12)9(14)8(5)10/h2-3,7,11-14H,4H2,1H3
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n/an/an/an/a 40n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Agonistic potency at beta adrenergic receptor for the stimulation of accumulation of cyclic AMP in cultured C6 glioma cells


J Med Chem 31: 1972-7 (1988)


Article DOI: 10.1021/jm00118a019
BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50019059
PNG
((+/-)3-Fluoro-4-(1-hydroxy-2-methylamino-ethyl)-be...)
Show SMILES CNCC(O)c1ccc(O)c(O)c1F
Show InChI InChI=1/C9H12FNO3/c1-11-4-7(13)5-2-3-6(12)9(14)8(5)10/h2-3,7,11-14H,4H2,1H3
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n/an/an/an/a 40n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Stimulation of cyclic AMP accumulation in C6 glioma cells expressing adrenergic beta receptor


J Med Chem 36: 3947-55 (1994)


Article DOI: 10.1021/jm00076a024
BindingDB Entry DOI: 10.7270/Q2QC044C
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50029051
PNG
((-)-arterenol | (-)-noradrenaline | (-)-norepineph...)
Show SMILES NC[C@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/s2
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n/an/an/an/a 52n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Stimulation of cyclic AMP accumulation in C6 glioma cells expressing adrenergic beta receptor


J Med Chem 36: 3947-55 (1994)


Article DOI: 10.1021/jm00076a024
BindingDB Entry DOI: 10.7270/Q2QC044C
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50409480
PNG
(CHEMBL33360)
Show SMILES C[C@H](NCCc1ccc(cc1)N(C)CC(O)=O)[C@H](O)c1ccc(O)cc1
Show InChI InChI=1S/C20H26N2O4/c1-14(20(26)16-5-9-18(23)10-6-16)21-12-11-15-3-7-17(8-4-15)22(2)13-19(24)25/h3-10,14,20-21,23,26H,11-13H2,1-2H3,(H,24,25)/t14-,20-/m0/s1
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n/an/an/an/a 52.5n/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonistic activity towards beta-3 adrenoceptor. Mean concentration required to produce 50% relaxation of detrusor before the addition in the ferret d...


J Med Chem 44: 1436-45 (2001)


Article DOI: 10.1021/jm000455z
BindingDB Entry DOI: 10.7270/Q2Q52QVH
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50213115
PNG
((R,R)-(-)-5-{1-hydroxy-2-[1-methyl-2-(1-naphthyl)e...)
Show SMILES C[C@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C21H23NO3/c1-14(9-16-7-4-6-15-5-2-3-8-20(15)16)22-13-21(25)17-10-18(23)12-19(24)11-17/h2-8,10-12,14,21-25H,9,13H2,1H3/t14-,21+/m1/s1
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n/an/an/an/a 59n/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Agonist activity beta2-adrenergic receptor in rat ventricular myocytes assessed as cell contraction following electrical stimulation by optical edge ...


Bioorg Med Chem 18: 728-36 (2010)


Article DOI: 10.1016/j.bmc.2009.11.062
BindingDB Entry DOI: 10.7270/Q2R78FJF
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50409469
PNG
(CHEMBL284520)
Show SMILES C[C@H](NCCc1cc(Cl)c(NCC(O)=O)cc1Cl)[C@H](O)c1ccc(O)cc1
Show InChI InChI=1S/C19H22Cl2N2O4/c1-11(19(27)12-2-4-14(24)5-3-12)22-7-6-13-8-16(21)17(9-15(13)20)23-10-18(25)26/h2-5,8-9,11,19,22-24,27H,6-7,10H2,1H3,(H,25,26)/t11-,19-/m0/s1
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n/an/an/an/a 61.7n/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonistic activity towards beta-3 adrenoceptor. Mean concentration required to produce 50% relaxation of detrusor before the addition in the ferret d...


J Med Chem 44: 1436-45 (2001)


Article DOI: 10.1021/jm000455z
BindingDB Entry DOI: 10.7270/Q2Q52QVH
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50019060
PNG
((+/-)4-(2-Amino-1-hydroxy-ethyl)-3-fluoro-benzene-...)
Show SMILES NCC(O)c1ccc(O)c(O)c1F
Show InChI InChI=1/C8H10FNO3/c9-7-4(6(12)3-10)1-2-5(11)8(7)13/h1-2,6,11-13H,3,10H2
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n/an/an/an/a 63n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Stimulation of cyclic AMP accumulation in C6 glioma cells expressing adrenergic beta receptor


J Med Chem 36: 3947-55 (1994)


Article DOI: 10.1021/jm00076a024
BindingDB Entry DOI: 10.7270/Q2QC044C
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50213098
PNG
((R,R)-(-)-fenoterol | CHEMBL388570 | US9492405, (R...)
Show SMILES C[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3/t11-,17+/m1/s1
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n/an/an/an/a 73n/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Agonist activity beta2-adrenergic receptor in rat ventricular myocytes assessed as cell contraction following electrical stimulation by optical edge ...


Bioorg Med Chem 18: 728-36 (2010)


Article DOI: 10.1016/j.bmc.2009.11.062
BindingDB Entry DOI: 10.7270/Q2R78FJF
More data for this
Ligand-Target Pair
Adrenergic receptor beta


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



Wyeth-Ayerst Research

Curated by ChEMBL


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


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


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


(Rattus norvegicus)
BDBM50409473
PNG
(CHEMBL33399)
Show SMILES C[C@H](NCCc1cc(Br)c(NCC(O)=O)c(Br)c1)[C@H](O)c1ccc(O)cc1
Show InChI InChI=1S/C19H22Br2N2O4/c1-11(19(27)13-2-4-14(24)5-3-13)22-7-6-12-8-15(20)18(16(21)9-12)23-10-17(25)26/h2-5,8-9,11,19,22-24,27H,6-7,10H2,1H3,(H,25,26)/t11-,19-/m0/s1
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n/an/an/an/a 81.3n/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonistic activity towards beta-3 adrenoceptor. Mean concentration required to produce 50% relaxation of detrusor before the addition in the ferret d...


J Med Chem 44: 1436-45 (2001)


Article DOI: 10.1021/jm000455z
BindingDB Entry DOI: 10.7270/Q2Q52QVH
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50146154
PNG
(KRP-114V | MK-4618 | VIBEGRON | Vibegron)
Show SMILES O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4nccc(=O)n34)cc2)N1)c1ccccc1
Show InChI InChI=1/C26H28N4O3/c31-24-14-15-27-23-13-12-22(30(23)24)26(33)29-19-8-6-17(7-9-19)16-20-10-11-21(28-20)25(32)18-4-2-1-3-5-18/h1-9,14-15,20-22,25,28,32H,10-13,16H2,(H,29,33)/t20-,21+,22-,25+/s2
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n/an/an/an/a 86n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at rat beta3 adrenergic receptor expressed in CHO cells assessed as accumulation of cAMP after 30 mins by TR-FRET assay


J Med Chem 59: 609-23 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01372
BindingDB Entry DOI: 10.7270/Q2M047B3
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM25392
PNG
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1/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 87.1n/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonistic activity towards beta-3 adrenoceptor. EC50, the mean concentration required to produce 50% relaxation of detrusor before the addition in th...


J Med Chem 44: 1436-45 (2001)


Article DOI: 10.1021/jm000455z
BindingDB Entry DOI: 10.7270/Q2Q52QVH
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50213110
PNG
((R,S)-(-)-5-{1-hydroxy-2-[1-methyl-2-(1-naphthyl)e...)
Show SMILES C[C@@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C21H23NO3/c1-14(9-16-7-4-6-15-5-2-3-8-20(15)16)22-13-21(25)17-10-18(23)12-19(24)11-17/h2-8,10-12,14,21-25H,9,13H2,1H3/t14-,21-/m0/s1
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n/an/an/an/a 103n/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Agonist activity beta2-adrenergic receptor in rat ventricular myocytes assessed as cell contraction following electrical stimulation by optical edge ...


Bioorg Med Chem 18: 728-36 (2010)


Article DOI: 10.1016/j.bmc.2009.11.062
BindingDB Entry DOI: 10.7270/Q2R78FJF
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50146154
PNG
(KRP-114V | MK-4618 | VIBEGRON | Vibegron)
Show SMILES O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4nccc(=O)n34)cc2)N1)c1ccccc1
Show InChI InChI=1/C26H28N4O3/c31-24-14-15-27-23-13-12-22(30(23)24)26(33)29-19-8-6-17(7-9-19)16-20-10-11-21(28-20)25(32)18-4-2-1-3-5-18/h1-9,14-15,20-22,25,28,32H,10-13,16H2,(H,29,33)/t20-,21+,22-,25+/s2
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n/an/an/an/a 122n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at rat beta3 adrenergic receptor expressed in CHO cells assessed as accumulation of cAMP after 30 mins by TR-FRET assay in presence ...


J Med Chem 59: 609-23 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01372
BindingDB Entry DOI: 10.7270/Q2M047B3
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50348428
PNG
(CHEMBL1800961 | US9492405, 40)
Show SMILES C[C@H](Cc1ccc2ccccc2c1)NC[C@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1/C21H23NO3/c1-14(8-15-6-7-16-4-2-3-5-17(16)9-15)22-13-21(25)18-10-19(23)12-20(24)11-18/h2-7,9-12,14,21-25H,8,13H2,1H3/t14-,21+/s2
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n/an/an/an/a 133n/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Agonist activity beta2-adrenergic receptor in rat ventricular myocytes assessed as cell contraction following electrical stimulation by optical edge ...


Bioorg Med Chem 18: 728-36 (2010)


Article DOI: 10.1016/j.bmc.2009.11.062
BindingDB Entry DOI: 10.7270/Q2R78FJF
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50409474
PNG
(CHEMBL417137)
Show SMILES C[C@H](NCCc1cc(Cl)c(N(C)CC(O)=O)c(Cl)c1)[C@H](O)c1ccc(O)cc1
Show InChI InChI=1S/C20H24Cl2N2O4/c1-12(20(28)14-3-5-15(25)6-4-14)23-8-7-13-9-16(21)19(17(22)10-13)24(2)11-18(26)27/h3-6,9-10,12,20,23,25,28H,7-8,11H2,1-2H3,(H,26,27)/t12-,20-/m0/s1
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n/an/an/an/a 158n/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonistic activity towards beta-3 adrenoceptor. Mean concentration required to produce 50% relaxation of detrusor before the addition in the ferret d...


J Med Chem 44: 1436-45 (2001)


Article DOI: 10.1021/jm000455z
BindingDB Entry DOI: 10.7270/Q2Q52QVH
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50213099
PNG
((R,R)-(-)-1-p-methoxyphenyl-2-(beta-3',5'-dihydrox...)
Show SMILES COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C18H23NO4/c1-12(7-13-3-5-17(23-2)6-4-13)19-11-18(22)14-8-15(20)10-16(21)9-14/h3-6,8-10,12,18-22H,7,11H2,1-2H3/t12-,18+/m1/s1
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n/an/an/an/a 186n/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Agonist activity beta2-adrenergic receptor in rat ventricular myocytes assessed as cell contraction following electrical stimulation by optical edge ...


Bioorg Med Chem 18: 728-36 (2010)


Article DOI: 10.1016/j.bmc.2009.11.062
BindingDB Entry DOI: 10.7270/Q2R78FJF
More data for this
Ligand-Target Pair
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