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Compile Data Set for Download or QSAR

Found 127 hits of ic50 for UniProtKB: P10608   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50497048
PNG
(CHEMBL3246767)
Show SMILES CC(C)(C)NCC(O)COc1cccc2CC=CCc12 |c:16|
Show InChI InChI=1S/C17H25NO2/c1-17(2,3)18-11-14(19)12-20-16-10-6-8-13-7-4-5-9-15(13)16/h4-6,8,10,14,18-19H,7,9,11-12H2,1-3H3
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n/an/a 0.00130n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of beta-adrenergic receptor in rat portal vein


J Med Chem 21: 913-22 (1978)


Article DOI: 10.1021/jm00207a014
BindingDB Entry DOI: 10.7270/Q2N300Z3
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50497052
PNG
(CHEMBL3246792)
Show SMILES CC(C)(Cc1ccccc1)NCC(O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12 |r|
Show InChI InChI=1S/C23H31NO4/c1-23(2,13-16-7-4-3-5-8-16)24-14-18(25)15-28-22-10-6-9-17-11-20(26)21(27)12-19(17)22/h3-10,18,20-21,24-27H,11-15H2,1-2H3/t18?,20-,21+/m1/s1
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n/an/a 0.0450n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of beta-adrenergic receptor in rat portal vein


J Med Chem 21: 913-22 (1978)


Article DOI: 10.1021/jm00207a014
BindingDB Entry DOI: 10.7270/Q2N300Z3
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50497050
PNG
(CHEMBL3244454)
Show SMILES Cl.CO[C@H]1Cc2cccc(OCC(O)CNC(C)(C)C)c2C[C@H]1OC |r|
Show InChI InChI=1S/C19H31NO4.ClH/c1-19(2,3)20-11-14(21)12-24-16-8-6-7-13-9-17(22-4)18(23-5)10-15(13)16;/h6-8,14,17-18,20-21H,9-12H2,1-5H3;1H/t14?,17-,18+;/m0./s1
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n/an/a 0.0510n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of beta-adrenergic receptor in rat portal vein


J Med Chem 21: 913-22 (1978)


Article DOI: 10.1021/jm00207a014
BindingDB Entry DOI: 10.7270/Q2N300Z3
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(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/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)


Article DOI: 10.1021/jm020177z
BindingDB Entry DOI: 10.7270/Q2BP03J1
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50497051
PNG
(CHEMBL3246789)
Show SMILES CCCCNCC(O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12 |r|
Show InChI InChI=1S/C17H27NO4/c1-2-3-7-18-10-13(19)11-22-17-6-4-5-12-8-15(20)16(21)9-14(12)17/h4-6,13,15-16,18-21H,2-3,7-11H2,1H3/t13?,15-,16+/m1/s1
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n/an/a 0.440n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of beta-adrenergic receptor in rat portal vein


J Med Chem 21: 913-22 (1978)


Article DOI: 10.1021/jm00207a014
BindingDB Entry DOI: 10.7270/Q2N300Z3
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50497049
PNG
(CHEMBL3246801)
Show SMILES COc1ccccc1N1CCN(CC(O)COc2cccc3C[C@@H](O)[C@@H](O)Cc23)CC1 |r|
Show InChI InChI=1S/C24H32N2O5/c1-30-24-7-3-2-6-20(24)26-11-9-25(10-12-26)15-18(27)16-31-23-8-4-5-17-13-21(28)22(29)14-19(17)23/h2-8,18,21-22,27-29H,9-16H2,1H3/t18?,21-,22+/m1/s1
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n/an/a 0.460n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of beta-adrenergic receptor in rat portal vein


J Med Chem 21: 913-22 (1978)


Article DOI: 10.1021/jm00207a014
BindingDB Entry DOI: 10.7270/Q2N300Z3
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50497054
PNG
(CHEMBL3246790)
Show SMILES CC(C)(C)CC(C)(C)NCC(O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12 |r|
Show InChI InChI=1S/C21H35NO4/c1-20(2,3)13-21(4,5)22-11-15(23)12-26-19-8-6-7-14-9-17(24)18(25)10-16(14)19/h6-8,15,17-18,22-25H,9-13H2,1-5H3/t15?,17-,18+/m1/s1
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n/an/a 0.780n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of beta-adrenergic receptor in rat portal vein


J Med Chem 21: 913-22 (1978)


Article DOI: 10.1021/jm00207a014
BindingDB Entry DOI: 10.7270/Q2N300Z3
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50212981
PNG
(CHEMBL543099 | SR-59062A)
Show SMILES Cl.CCOC(=O)CCc1ccc2CC[C@H](Cc2c1)NC[C@H](O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C23H28ClNO3.ClH/c1-2-28-23(27)11-7-16-6-8-17-9-10-21(14-19(17)12-16)25-15-22(26)18-4-3-5-20(24)13-18;/h3-6,8,12-13,21-22,25-26H,2,7,9-11,14-15H2,1H3;1H/t21-,22+;/m1./s1
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n/an/a 0.900n/an/an/an/an/an/a


TBA

Assay Description
Beta-adrenergic agonistic activity in rat proximal colon in presence of phentolamine (10 uM), desmethylimipramine (0.5 uM) and hydrocortisone (30 uM)


Citation and Details

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


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

Assay Description
Beta-adrenergic agonistic activity in rat proximal colon in presence of phentolamine (10 uM), desmethylimipramine (0.5 uM) and hydrocortisone (30 uM)


Citation and Details

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


(Rattus norvegicus (Rat))
BDBM50497053
PNG
(CHEMBL3246795)
Show SMILES COc1cc(CC=C)ccc1OCCNCC(O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12 |r|
Show InChI InChI=1S/C25H33NO6/c1-3-5-17-8-9-24(25(12-17)30-2)31-11-10-26-15-19(27)16-32-23-7-4-6-18-13-21(28)22(29)14-20(18)23/h3-4,6-9,12,19,21-22,26-29H,1,5,10-11,13-16H2,2H3/t19?,21-,22+/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of beta-adrenergic receptor in rat portal vein


J Med Chem 21: 913-22 (1978)


Article DOI: 10.1021/jm00207a014
BindingDB Entry DOI: 10.7270/Q2N300Z3
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Rattus norvegicus)
BDBM25768
PNG
(1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(pro...)
Show SMILES CC(C)NC(C)C(O)COc1ccc(C)c2CCCc12
Show InChI InChI=1S/C17H27NO2/c1-11(2)18-13(4)16(19)10-20-17-9-8-12(3)14-6-5-7-15(14)17/h8-9,11,13,16,18-19H,5-7,10H2,1-4H3
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n/an/a 2.30n/an/an/an/an/an/a



Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA


J Med Chem 48: 6887-96 (2005)


Article DOI: 10.1021/jm058018d
BindingDB Entry DOI: 10.7270/Q28C9X1X
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50226969
PNG
(CHEMBL39915)
Show SMILES CC(C)(Cc1ccccc1)NCC(O)c1ccc(O)c2nc(O)ccc12
Show InChI InChI=1S/C21H24N2O3/c1-21(2,12-14-6-4-3-5-7-14)22-13-18(25)15-8-10-17(24)20-16(15)9-11-19(26)23-20/h3-11,18,22,24-25H,12-13H2,1-2H3,(H,23,26)
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n/an/a 3.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was evaluated for the inhibition of [125I]cyanopindolol binding to beta adrenergic receptor in rat reticulocyte membrane.


J Med Chem 30: 1563-6 (1987)


BindingDB Entry DOI: 10.7270/Q2HM5BPG
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


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

Assay Description
Beta-adrenergic agonistic activity in rat proximal colon in presence of phentolamine (10 uM), desmethylimipramine (0.5 uM) and hydrocortisone (30 uM)


Citation and Details

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


(Rattus norvegicus (Rat))
BDBM50226968
PNG
(CHEMBL287883)
Show SMILES CC(C)(Cc1ccc(NC(=O)CBr)cc1)NCC(O)c1ccc(O)c2nc(O)ccc12
Show InChI InChI=1S/C23H26BrN3O4/c1-23(2,11-14-3-5-15(6-4-14)26-21(31)12-24)25-13-19(29)16-7-9-18(28)22-17(16)8-10-20(30)27-22/h3-10,19,25,28-29H,11-13H2,1-2H3,(H,26,31)(H,27,30)
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n/an/a 5.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was evaluated for the inhibition of [125I]cyanopindolol binding to beta adrenergic receptor in rat reticulocyte membrane.


J Med Chem 30: 1563-6 (1987)


BindingDB Entry DOI: 10.7270/Q2HM5BPG
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50226971
PNG
(CHEMBL41605)
Show SMILES CC(C)(Cc1ccc(I)cc1)NCC(O)c1ccc(O)c2nc(O)ccc12
Show InChI InChI=1S/C21H23IN2O3/c1-21(2,11-13-3-5-14(22)6-4-13)23-12-18(26)15-7-9-17(25)20-16(15)8-10-19(27)24-20/h3-10,18,23,25-26H,11-12H2,1-2H3,(H,24,27)
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n/an/a 7.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was evaluated for the inhibition of [125I]cyanopindolol binding to beta adrenergic receptor in rat reticulocyte membrane.


J Med Chem 30: 1563-6 (1987)


BindingDB Entry DOI: 10.7270/Q2HM5BPG
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50497047
PNG
(CHEMBL3246800)
Show SMILES CC(C)(C)N(CCNCC(O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12)Cc1ccccc1 |r|
Show InChI InChI=1S/C26H38N2O4/c1-26(2,3)28(17-19-8-5-4-6-9-19)13-12-27-16-21(29)18-32-25-11-7-10-20-14-23(30)24(31)15-22(20)25/h4-11,21,23-24,27,29-31H,12-18H2,1-3H3/t21?,23-,24+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of beta-adrenergic receptor in rat portal vein


J Med Chem 21: 913-22 (1978)


Article DOI: 10.1021/jm00207a014
BindingDB Entry DOI: 10.7270/Q2N300Z3
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(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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Kissei Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of spontaneous contractions in isolated rat uterus


J Med Chem 46: 105-12 (2002)


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


(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)


BindingDB Entry DOI: 10.7270/Q2Q52QVH
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50367137
PNG
(CHEMBL1203891)
Show SMILES OCCCCN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C23H28F2N2O/c24-18-5-3-17(4-6-18)21-16-23(22-15-19(25)7-8-20(21)22)27-12-10-26(11-13-27)9-1-2-14-28/h3-8,15,21,23,28H,1-2,9-14,16H2
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n/an/a 19n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect on synaptosomal uptake inhibition of Noradrenaline (NA)


J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


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

Assay Description
Beta-adrenergic agonistic activity in rat proximal colon


Citation and Details

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


(Rattus norvegicus (Rat))
BDBM50226970
PNG
(CHEMBL41255)
Show SMILES CC(C)(Cc1ccc(N)cc1)NCC(O)c1ccc(O)c2nc(O)ccc12
Show InChI InChI=1S/C21H25N3O3/c1-21(2,11-13-3-5-14(22)6-4-13)23-12-18(26)15-7-9-17(25)20-16(15)8-10-19(27)24-20/h3-10,18,23,25-26H,11-12,22H2,1-2H3,(H,24,27)
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TBA

Curated by ChEMBL


Assay Description
The compound was evaluated for the inhibition of [125I]cyanopindolol binding to beta adrenergic receptor in rat reticulocyte membrane.


J Med Chem 30: 1563-6 (1987)


BindingDB Entry DOI: 10.7270/Q2HM5BPG
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(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)


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


(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)


BindingDB Entry DOI: 10.7270/Q2PR7TWN
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


J Med Chem 25: 680-4 (1982)


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


(Rattus norvegicus (Rat))
BDBM50367137
PNG
(CHEMBL1203891)
Show SMILES OCCCCN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C23H28F2N2O/c24-18-5-3-17(4-6-18)21-16-23(22-15-19(25)7-8-20(21)22)27-12-10-26(11-13-27)9-1-2-14-28/h3-8,15,21,23,28H,1-2,9-14,16H2
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect on synaptosomal uptake inhibition of Noradrenaline (NA)


J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50020240
PNG
(1-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-4-meth...)
Show SMILES CN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C20H22F2N2/c1-23-8-10-24(11-9-23)20-13-18(14-2-4-15(21)5-3-14)17-7-6-16(22)12-19(17)20/h2-7,12,18,20H,8-11,13H2,1H3
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n/an/a 32n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect on synaptosomal uptake inhibition of Noradrenaline (NA)


J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50020240
PNG
(1-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-4-meth...)
Show SMILES CN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C20H22F2N2/c1-23-8-10-24(11-9-23)20-13-18(14-2-4-15(21)5-3-14)17-7-6-16(22)12-19(17)20/h2-7,12,18,20H,8-11,13H2,1H3
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n/an/a 45n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect on synaptosomal uptake inhibition of Noradrenaline (NA)


J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


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

Assay Description
Beta-adrenergic agonistic activity in rat proximal colon


Citation and Details

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


(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)


BindingDB Entry DOI: 10.7270/Q2Q52QVH
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50212978
PNG
(CHEMBL541542)
Show SMILES Cl.CCOC(=O)c1ccc2CCC(Cc2c1)NCC(O)c1cccc(Cl)c1
Show InChI InChI=1S/C21H24ClNO3.ClH/c1-2-26-21(25)16-7-6-14-8-9-19(12-17(14)10-16)23-13-20(24)15-4-3-5-18(22)11-15;/h3-7,10-11,19-20,23-24H,2,8-9,12-13H2,1H3;1H
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TBA

Assay Description
Beta-adrenergic agonistic activity in rat proximal colon


Citation and Details

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


(Rattus norvegicus (Rat))
BDBM50020240
PNG
(1-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-4-meth...)
Show SMILES CN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C20H22F2N2/c1-23-8-10-24(11-9-23)20-13-18(14-2-4-15(21)5-3-14)17-7-6-16(22)12-19(17)20/h2-7,12,18,20H,8-11,13H2,1H3
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n/an/a 97n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect on synaptosomal uptake inhibition of Noradrenaline (NA)


J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(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 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


J Med Chem 25: 680-4 (1982)


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


(Rattus norvegicus (Rat))
BDBM50026951
PNG
((cis) 2-{4-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-y...)
Show SMILES OCCN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C21H24F2N2O/c22-16-3-1-15(2-4-16)19-14-21(20-13-17(23)5-6-18(19)20)25-9-7-24(8-10-25)11-12-26/h1-6,13,19,21,26H,7-12,14H2
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n/an/a 140n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect on synaptosomal uptake inhibition of Noradrenaline (NA)


J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50026951
PNG
((cis) 2-{4-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-y...)
Show SMILES OCCN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C21H24F2N2O/c22-16-3-1-15(2-4-16)19-14-21(20-13-17(23)5-6-18(19)20)25-9-7-24(8-10-25)11-12-26/h1-6,13,19,21,26H,7-12,14H2
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TBA

Curated by ChEMBL


Assay Description
Effect on synaptosomal uptake inhibition of Noradrenaline (NA)


J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50212978
PNG
(CHEMBL541542)
Show SMILES Cl.CCOC(=O)c1ccc2CCC(Cc2c1)NCC(O)c1cccc(Cl)c1
Show InChI InChI=1S/C21H24ClNO3.ClH/c1-2-26-21(25)16-7-6-14-8-9-19(12-17(14)10-16)23-13-20(24)15-4-3-5-18(22)11-15;/h3-7,10-11,19-20,23-24H,2,8-9,12-13H2,1H3;1H
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TBA

Assay Description
Beta-adrenergic agonistic activity in rat uterus preincubated with phenoxybenzamine (12 uM) for 30 min


Citation and Details

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


(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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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)


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


(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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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)


BindingDB Entry DOI: 10.7270/Q2Q52QVH
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


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

Assay Description
Beta-adrenergic agonistic activity in rat uterus preincubated with phenoxybenzamine (12 uM) for 30 min


Citation and Details

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


(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 325n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was evaluated for the inhibition of [125I]cyanopindolol binding to beta adrenergic receptor in rat reticulocyte membrane.


J Med Chem 30: 1563-6 (1987)


BindingDB Entry DOI: 10.7270/Q2HM5BPG
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


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

Assay Description
Beta-adrenergic agonistic activity in rat uterus preincubated with phenoxybenzamine (12 uM) for 30 min


Citation and Details

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


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

Assay Description
Beta-adrenergic agonistic activity in rat uterus preincubated with phenoxybenzamine (12 uM) for 30 min


Citation and Details

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


(Rattus norvegicus (Rat))
BDBM25756
PNG
((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Show SMILES COCCc1ccc(OCC(O)CNC(C)C)cc1
Show InChI InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3
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n/an/a 500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for beta2-adrenergic blocking effect by measuring the ability to inhibit the relaxing effect of epinephrine on the isolated tracheal muscle of...


Bioorg Med Chem Lett 7: 1273-1274 (1997)


Article DOI: 10.1016/S0960-894X(97)00207-2
BindingDB Entry DOI: 10.7270/Q2SX6D7F
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50224296
PNG
(CHEMBL161974)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1F
Show InChI InChI=1S/C11H16FNO3/c1-6(2)13-5-9(15)7-3-4-8(14)11(16)10(7)12/h3-4,6,9,13-16H,5H2,1-2H3
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n/an/a 500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


J Med Chem 25: 680-4 (1982)


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


(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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Article
PubMed
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)


Article DOI: 10.1021/jm020177z
BindingDB Entry DOI: 10.7270/Q2BP03J1
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50224297
PNG
(CHEMBL158865)
Show SMILES CC(C)NCC(O)c1cc(O)c(O)c(F)c1
Show InChI InChI=1S/C11H16FNO3/c1-6(2)13-5-10(15)7-3-8(12)11(16)9(14)4-7/h3-4,6,10,13-16H,5H2,1-2H3
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n/an/a 600n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


J Med Chem 25: 680-4 (1982)


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


(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)


BindingDB Entry DOI: 10.7270/Q2Q52QVH
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50002012
PNG
((trans) 2-{4-[3-(4-Fluoro-phenyl)-6-trifluoromethy...)
Show SMILES OCCN1CCN(CC1)C1CC(c2ccc(cc12)C(F)(F)F)c1ccc(F)cc1
Show InChI InChI=1S/C22H24F4N2O/c23-17-4-1-15(2-5-17)19-14-21(28-9-7-27(8-10-28)11-12-29)20-13-16(22(24,25)26)3-6-18(19)20/h1-6,13,19,21,29H,7-12,14H2
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n/an/a 660n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect on synaptosomal uptake inhibition of Noradrenaline (NA)


J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50045879
PNG
(2-[2-(4-Bromo-phenyl)-1H-indol-3-yl]-N,N-dipropyl-...)
Show SMILES CCCN(CCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccc(Br)cc1
Show InChI InChI=1S/C22H25BrN2O/c1-3-13-25(14-4-2)21(26)15-19-18-7-5-6-8-20(18)24-22(19)16-9-11-17(23)12-10-16/h5-12,24H,3-4,13-15H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research

Curated by ChEMBL


Assay Description
Inhibitory activity by measuring its ability to displace [125I]pindolol from beta-adrenergic receptor in rat brain


J Med Chem 36: 2908-20 (1993)


BindingDB Entry DOI: 10.7270/Q2C24VGV
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50045874
PNG
(2-[2-(4-Iodo-phenyl)-1H-indol-3-yl]-N,N-dipropyl-a...)
Show SMILES CCCN(CCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccc(I)cc1
Show InChI InChI=1S/C22H25IN2O/c1-3-13-25(14-4-2)21(26)15-19-18-7-5-6-8-20(18)24-22(19)16-9-11-17(23)12-10-16/h5-12,24H,3-4,13-15H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research

Curated by ChEMBL


Assay Description
Inhibitory activity by measuring its ability to displace [125I]pindolol from beta-adrenergic receptor in rat brain


J Med Chem 36: 2908-20 (1993)


BindingDB Entry DOI: 10.7270/Q2C24VGV
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50045882
PNG
(2-[5-Chloro-2-(4-chloro-phenyl)-1H-indol-3-yl]-N,N...)
Show SMILES CCCCCCN(CCCCCC)C(=O)Cc1c([nH]c2ccc(Cl)cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H36Cl2N2O/c1-3-5-7-9-17-32(18-10-8-6-4-2)27(33)20-25-24-19-23(30)15-16-26(24)31-28(25)21-11-13-22(29)14-12-21/h11-16,19,31H,3-10,17-18,20H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research

Curated by ChEMBL


Assay Description
Inhibitory activity by measuring its ability to displace [125I]pindolol from beta-adrenergic receptor in rat brain


J Med Chem 36: 2908-20 (1993)


BindingDB Entry DOI: 10.7270/Q2C24VGV
More data for this
Ligand-Target Pair
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