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Compile Data Set for Download or QSAR

Found 76 hits of ec50 data for polymerid = 50001994,50002638,5366   
Target
(Institution)
LigandTarget
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)

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)

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)

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=1S/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-/m0/s1
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n/an/an/an/a 5n/an/an/an/a


TBA

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...


Citation and Details
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)

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



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at rat beta-3 adrenergic receptor


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

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



Lilly Research Laboratories

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)

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)

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)

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)

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)

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)

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=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 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)

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 Global Research and Development

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)

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=1S/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)

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=1S/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)

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)

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)

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=1S/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+/m1/s1
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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)

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)

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)

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



Lilly Research Laboratories

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)

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)

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 Global Research and Development

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)

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



Lilly Research Laboratories

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)

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)

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)

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)

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)

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)

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)

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=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 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)

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)

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)

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=1S/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+/m1/s1
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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)

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)

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)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM97162
PNG
(MLS002153782 | RITODRINE | RITODRINE HYDROCHLORIDE...)
Show SMILES C[C@H](NCCc1ccc(O)cc1)[C@H](O)c1ccc(O)cc1
Show InChI InChI=1S/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3/t12-,17-/m0/s1
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n/an/an/an/a 191n/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)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50146160
PNG
(CHEMBL3765335)
Show SMILES C[C@@H](C(=O)Nc1ccc(C[C@@H]2CC[C@@H](N2)[C@H](O)c2ccccc2)cc1)n1ncccc1=O
Show InChI InChI=1/C25H28N4O3/c1-17(29-23(30)8-5-15-26-29)25(32)28-20-11-9-18(10-12-20)16-21-13-14-22(27-21)24(31)19-6-3-2-4-7-19/h2-12,15,17,21-22,24,27,31H,13-14,16H2,1H3,(H,28,32)/t17-,21-,22+,24+/s2
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n/an/an/an/a 245n/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)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50337297
PNG
(1-Adamantan-1-ylmethyl-3-(3-{2-[2-hydroxy-2-(8-hyd...)
Show SMILES OC(CNCCc1cccc(NC(=O)NCC23CC4CC(CC(C4)C2)C3)c1)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C31H38N4O4/c36-26-6-4-24(25-5-7-28(38)35-29(25)26)27(37)17-32-9-8-19-2-1-3-23(13-19)34-30(39)33-18-31-14-20-10-21(15-31)12-22(11-20)16-31/h1-7,13,20-22,27,32,36-37H,8-12,14-18H2,(H,35,38)(H2,33,34,39)
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n/an/an/an/a 296n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at beta1 adrenoreceptor in rat left atria assessed as induction of ionotropic effect


Bioorg Med Chem Lett 21: 1545-8 (2011)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50409478
PNG
(CHEMBL285888)
Show SMILES C[C@H](NCCc1ccc(NCC(O)=O)c(Cl)c1Cl)[C@H](O)c1ccc(O)cc1
Show InChI InChI=1S/C19H22Cl2N2O4/c1-11(19(27)13-2-5-14(24)6-3-13)22-9-8-12-4-7-15(18(21)17(12)20)23-10-16(25)26/h2-7,11,19,22-24,27H,8-10H2,1H3,(H,25,26)/t11-,19-/m0/s1
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n/an/an/an/a 457n/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)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50213120
PNG
((R,S)-(-)-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-/m0/s1
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n/an/an/an/a 506n/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)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50146160
PNG
(CHEMBL3765335)
Show SMILES C[C@@H](C(=O)Nc1ccc(C[C@@H]2CC[C@@H](N2)[C@H](O)c2ccccc2)cc1)n1ncccc1=O
Show InChI InChI=1/C25H28N4O3/c1-17(29-23(30)8-5-15-26-29)25(32)28-20-11-9-18(10-12-20)16-21-13-14-22(27-21)24(31)19-6-3-2-4-7-19/h2-12,15,17,21-22,24,27,31H,13-14,16H2,1H3,(H,28,32)/t17-,21-,22+,24+/s2
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n/an/an/an/a 531n/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)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50108088
PNG
(CHEMBL3601305)
Show SMILES CC(C)c1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12
Show InChI InChI=1/C21H28N4O4S/c1-14(2)21-18-8-7-17(12-19(18)23-24-21)29-10-9-22-13-20(26)15-5-4-6-16(11-15)25-30(3,27)28/h4-8,11-12,14,20,22,25-26H,9-10,13H2,1-3H3,(H,23,24)/t20-/s2
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n/an/an/an/a 535n/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at rat beta3-adrenergic receptor


J Med Chem 58: 6048-57 (2015)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50337292
PNG
(1-(3-(2-(2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroq...)
Show SMILES COc1ccccc1CNC(=O)Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1
Show InChI InChI=1S/C28H30N4O5/c1-37-25-8-3-2-6-19(25)16-30-28(36)31-20-7-4-5-18(15-20)13-14-29-17-24(34)21-9-11-23(33)27-22(21)10-12-26(35)32-27/h2-12,15,24,29,33-34H,13-14,16-17H2,1H3,(H,32,35)(H2,30,31,36)
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n/an/an/an/a 550n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at beta1 adrenoreceptor in rat left atria assessed as induction of ionotropic effect


Bioorg Med Chem Lett 21: 1545-8 (2011)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50213106
PNG
((R,S)-(-)-fenoterol | CHEMBL229476 | 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-/m0/s1
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n/an/an/an/a 575n/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)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50409475
PNG
(CHEMBL32939)
Show SMILES C[C@H](NCCc1ccc(NCC(O)=O)c(Br)c1)[C@H](O)c1ccc(O)cc1
Show InChI InChI=1S/C19H23BrN2O4/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 575n/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)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50146156
PNG
(CHEMBL3764088)
Show SMILES O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)Cn3ncccc3=O)cc2)N1)c1ccccc1
Show InChI InChI=1/C24H26N4O3/c29-22(16-28-23(30)7-4-14-25-28)27-19-10-8-17(9-11-19)15-20-12-13-21(26-20)24(31)18-5-2-1-3-6-18/h1-11,14,20-21,24,26,31H,12-13,15-16H2,(H,27,29)/t20-,21+,24+/s2
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n/an/an/an/a 615n/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)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50409481
PNG
(CHEMBL35738)
Show SMILES C[C@H](NCCc1ccc(NCC(O)=O)c(I)c1)[C@H](O)c1ccc(O)cc1
Show InChI InChI=1S/C19H23IN2O4/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 813n/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)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50409476
PNG
(CHEMBL289670)
Show SMILES C[C@H](NCCc1ccc(cc1)N(CC(O)=O)CC(O)=O)[C@H](O)c1ccc(O)cc1
Show InChI InChI=1S/C21H26N2O6/c1-14(21(29)16-4-8-18(24)9-5-16)22-11-10-15-2-6-17(7-3-15)23(12-19(25)26)13-20(27)28/h2-9,14,21-22,24,29H,10-13H2,1H3,(H,25,26)(H,27,28)/t14-,21-/m0/s1
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n/an/an/an/a 832n/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)

More data for this
Ligand-Target Pair
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