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Compile Data Set for Download or QSAR

Found 505 hits Enz. Inhib. hit(s) with Target = 'Adrenergic receptor beta'   
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)
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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PubMed
n/an/a 0.100n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of spontaneous contractions in isolated rat uterus


J Med Chem 46: 105-12 (2002)

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=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 5.30n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for beta-adrenergic activity against beta-1 adrenergic receptor by the inhibition of insulin stimulated [14C]- glucos...


J Med Chem 35: 3081-4 (1992)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50285930
PNG
(CHEMBL421193 | Disodium salt of (S)-6-[(R)-2-(3-Ch...)
Show SMILES O[C@@H](CN[C@H]1CCCc2cc3OC(Oc3cc2C1)(C([O-])=O)C([O-])=O)c1cccc(Cl)c1
Show InChI InChI=1S/C22H22ClNO7/c23-15-5-1-4-13(7-15)17(25)11-24-16-6-2-3-12-9-18-19(10-14(12)8-16)31-22(30-18,20(26)27)21(28)29/h1,4-5,7,9-10,16-17,24-25H,2-3,6,8,11H2,(H,26,27)(H,28,29)/p-2/t16-,17-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonistic activity against Beta-3 adrenergic receptor in rat colon


Bioorg Med Chem Lett 5: 2821-2824 (1995)

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/a 9.10n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of spontaneous contractions in isolated rat uterus


J Med Chem 46: 105-12 (2002)

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/a 9.12n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd.

Curated by ChEMBL


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


J Med Chem 44: 1436-45 (2001)

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/a 24.0n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd.

Curated by ChEMBL


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


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/a 30n/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)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
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/a 59n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards Beta-1 adrenergic receptor in rat heart membrane by displacing [125I]- iodocyanopindolol


J Med Chem 35: 3081-4 (1992)

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/a 61.7n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd.

Curated by ChEMBL


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


J Med Chem 44: 1436-45 (2001)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
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 190n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for beta-adrenergic activity against beta-1 adrenergic receptor by the inhibition of insulin stimulated [14C]- glucos...


J Med Chem 35: 3081-4 (1992)

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/a 251n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd.

Curated by ChEMBL


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


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/a 282n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd.

Curated by ChEMBL


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


J Med Chem 44: 1436-45 (2001)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
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/a 500n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for beta-adrenergic activity against beta-1 adrenergic receptor by the inhibition of insulin stimulated [14C]- glucos...


J Med Chem 35: 3081-4 (1992)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
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 520n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of spontaneous contractions in isolated rat uterus


J Med Chem 46: 105-12 (2002)

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=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 600n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards beta-1 adrenergic receptor in rat heart membrane by displacing [125I]- iodocyanopindolol


J Med Chem 35: 3081-4 (1992)

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/a 646n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd.

Curated by ChEMBL


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


J Med Chem 44: 1436-45 (2001)

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/a 1.29E+3n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd.

Curated by ChEMBL


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


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/a 1.30E+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)

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/a 1.41E+3n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd.

Curated by ChEMBL


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


J Med Chem 44: 1436-45 (2001)

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/a 1.41E+3n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd.

Curated by ChEMBL


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


J Med Chem 44: 1436-45 (2001)

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/a 1.58E+3n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd.

Curated by ChEMBL


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


J Med Chem 44: 1436-45 (2001)

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/a 1.70E+3n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd.

Curated by ChEMBL


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


J Med Chem 44: 1436-45 (2001)

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/a 2.19E+3n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd.

Curated by ChEMBL


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


J Med Chem 44: 1436-45 (2001)

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/a 2.57E+3n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd.

Curated by ChEMBL


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


J Med Chem 44: 1436-45 (2001)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
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 3.30E+3n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards Beta-1 adrenergic receptor in rat heart membrane by displacing [125I]- iodocyanopindolol


J Med Chem 35: 3081-4 (1992)

More data for this
Ligand-Target Pair
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/a 3.31E+3n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd.

Curated by ChEMBL


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


J Med Chem 44: 1436-45 (2001)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
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 6.40E+3n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of spontaneous contractions in isolated rat uterus


J Med Chem 46: 105-12 (2002)

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/a 9.77E+3n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd.

Curated by ChEMBL


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


J Med Chem 44: 1436-45 (2001)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50181836
PNG
(4-Amino-N-(1-aza-tricyclo[3.3.1.0*3,7*]non-4-yl)-5...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1C2CC3CN(CC13)C2
Show InChI InChI=1S/C16H20ClN3O2/c1-22-14-4-13(18)12(17)3-10(14)16(21)19-15-9-2-8-5-20(6-9)7-11(8)15/h3-4,8-9,11,15H,2,5-7,18H2,1H3,(H,19,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Concentration required for inhibition of beta adrenergic receptor


Bioorg Med Chem Lett 14: 5509-12 (2004)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50005836
PNG
(4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...)
Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Concentration required for inhibition of beta adrenergic receptor


Bioorg Med Chem Lett 14: 5509-12 (2004)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50155153
PNG
(4-Amino-N-(1-aza-tricyclo[3.3.1.1*3,7*]dec-4-ylmet...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1C2CC3CC1CN(C3)C2
Show InChI InChI=1S/C18H24ClN3O2/c1-24-17-5-16(20)15(19)4-13(17)18(23)21-6-14-11-2-10-3-12(14)9-22(7-10)8-11/h4-5,10-12,14H,2-3,6-9,20H2,1H3,(H,21,23)/t10?,11?,12?,14-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Concentration required for inhibition of beta adrenergic receptor


Bioorg Med Chem Lett 14: 5509-12 (2004)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50155152
PNG
(4-Amino-N-(1-aza-tricyclo[3.3.1.1*3,7*]dec-4-yl)-5...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1C2CC3CC1CN(C3)C2
Show InChI InChI=1S/C17H22ClN3O2/c1-23-15-5-14(19)13(18)4-12(15)17(22)20-16-10-2-9-3-11(16)8-21(6-9)7-10/h4-5,9-11,16H,2-3,6-8,19H2,1H3,(H,20,22)/t9?,10?,11?,16-
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Concentration required for inhibition of beta adrenergic receptor


Bioorg Med Chem Lett 14: 5509-12 (2004)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50002338
PNG
((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...)
Show SMILES CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1
Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-DHA (Dihydroalprenolol) from beta-1 adrenergic receptor in rat brain


J Med Chem 31: 454-61 (1988)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50019968
PNG
(7-Ethyl-1,3,5-trimethyl-6,7-dihydro-1H-1,2,4,5a,8-...)
Show SMILES CCC1CN2C(=N1)c1c(N=C2C)c(C)nn1C
Show InChI InChI=1S/C12H17N5/c1-5-9-6-17-8(3)13-10-7(2)15-16(4)11(10)12(17)14-9/h9H,5-6H2,1-4H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-DHA (Dihydroalprenolol) from beta-2 adrenergic receptor in rat brain


J Med Chem 31: 454-61 (1988)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50002338
PNG
((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...)
Show SMILES CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1
Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-DHA (Dihydroalprenolol) from beta-2 adrenergic receptor in rat brain


J Med Chem 31: 454-61 (1988)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50019968
PNG
(7-Ethyl-1,3,5-trimethyl-6,7-dihydro-1H-1,2,4,5a,8-...)
Show SMILES CCC1CN2C(=N1)c1c(N=C2C)c(C)nn1C
Show InChI InChI=1S/C12H17N5/c1-5-9-6-17-8(3)13-10-7(2)15-16(4)11(10)12(17)14-9/h9H,5-6H2,1-4H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-DHA (Dihydroalprenolol) from beta-1 adrenergic receptor in rat brain


J Med Chem 31: 454-61 (1988)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50019457
PNG
(2-Diethylamino-N-[4-(2-fluoro-benzoyl)-2,5-dimethy...)
Show SMILES CCN(CC)CC(=O)Nc1c(C(=O)c2ccccc2F)c(C)nn1C
Show InChI InChI=1S/C18H23FN4O2/c1-5-23(6-2)11-15(24)20-18-16(12(3)21-22(18)4)17(25)13-9-7-8-10-14(13)19/h7-10H,5-6,11H2,1-4H3,(H,20,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against the beta-1 adrenergic receptor using [3H]- DHA


J Med Chem 29: 1628-37 (1986)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50019458
PNG
(CHEMBL45063 | N-[4-(2-Fluoro-benzoyl)-2,5-dimethyl...)
Show SMILES CC1CCCCN1CCCNCC(=O)Nc1c(C(=O)c2ccccc2F)c(C)nn1C
Show InChI InChI=1S/C23H32FN5O2/c1-16-9-6-7-13-29(16)14-8-12-25-15-20(30)26-23-21(17(2)27-28(23)3)22(31)18-10-4-5-11-19(18)24/h4-5,10-11,16,25H,6-9,12-15H2,1-3H3,(H,26,30)
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TBA

Curated by ChEMBL


Assay Description
Binding affinity against beta-2 adrenergic receptor in rat brain using [3H]-DHA


J Med Chem 29: 1628-37 (1986)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against beta-1 adrenergic receptor in rat brain using [3H]-DHA


J Med Chem 29: 1628-37 (1986)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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TBA

Curated by ChEMBL


Assay Description
Binding affinity against beta-2 adrenergic receptor in rat brain using [3H]-DHA


J Med Chem 29: 1628-37 (1986)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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TBA

Curated by ChEMBL


Assay Description
Binding affinity against beta-2 adrenergic receptor in rat brain using [3H]-DHA


J Med Chem 29: 1628-37 (1986)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50019458
PNG
(CHEMBL45063 | N-[4-(2-Fluoro-benzoyl)-2,5-dimethyl...)
Show SMILES CC1CCCCN1CCCNCC(=O)Nc1c(C(=O)c2ccccc2F)c(C)nn1C
Show InChI InChI=1S/C23H32FN5O2/c1-16-9-6-7-13-29(16)14-8-12-25-15-20(30)26-23-21(17(2)27-28(23)3)22(31)18-10-4-5-11-19(18)24/h4-5,10-11,16,25H,6-9,12-15H2,1-3H3,(H,26,30)
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TBA

Curated by ChEMBL


Assay Description
Binding affinity against beta-1 adrenergic receptor in rat brain using [3H]-DHA


J Med Chem 29: 1628-37 (1986)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against beta-1 adrenergic receptor in rat brain using [3H]-DHA


J Med Chem 29: 1628-37 (1986)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50019457
PNG
(2-Diethylamino-N-[4-(2-fluoro-benzoyl)-2,5-dimethy...)
Show SMILES CCN(CC)CC(=O)Nc1c(C(=O)c2ccccc2F)c(C)nn1C
Show InChI InChI=1S/C18H23FN4O2/c1-5-23(6-2)11-15(24)20-18-16(12(3)21-22(18)4)17(25)13-9-7-8-10-14(13)19/h7-10H,5-6,11H2,1-4H3,(H,20,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against the beta-2 adrenergic receptor using [3H]- DHA


J Med Chem 29: 1628-37 (1986)

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/a 1.10E+4n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd.

Curated by ChEMBL


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


J Med Chem 44: 1436-45 (2001)

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/a 1.41E+4n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd.

Curated by ChEMBL


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


J Med Chem 44: 1436-45 (2001)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
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/a 3.00E+4n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for beta-adrenergic activity against beta-1 adrenergic receptor by the inhibition of insulin stimulated [14C]- glucos...


J Med Chem 35: 3081-4 (1992)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50122651
PNG
((alpha R,betaS) (2-Chloro-4-{2-[2-hydroxy-2-(4-hyd...)
Show SMILES CC(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-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of spontaneous contractions in isolated rat uterus


J Med Chem 46: 105-12 (2002)

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/a 2.70E+5n/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)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
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/a 1.30E+6n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards Beta-1 adrenergic receptor in rat heart membrane by displacing [125I]- iodocyanopindolol


J Med Chem 35: 3081-4 (1992)

More data for this
Ligand-Target Pair
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