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Compile Data Set for Download or QSAR

Found 43 hits of kd data for polymerid = 5366   
Target
(Institution)
LigandTarget
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
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50422862
PNG
(125I-CYP | CHEMBL210309)
Show SMILES CC(C)(C)NCC(O)COc1cccc2[nH]c(C#N)c(I)c12
Show InChI InChI=1S/C16H20IN3O2/c1-16(2,3)19-8-10(21)9-22-13-6-4-5-11-14(13)15(17)12(7-18)20-11/h4-6,10,19-21H,8-9H2,1-3H3
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n/an/an/a 0.0631n/an/an/an/an/a



The University of Melbourne

Curated by ChEMBL


Assay Description
Antagonist activity at rat beta-1 adrenergic receptor S190A mutant expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50422862
PNG
(125I-CYP | CHEMBL210309)
Show SMILES CC(C)(C)NCC(O)COc1cccc2[nH]c(C#N)c(I)c12
Show InChI InChI=1S/C16H20IN3O2/c1-16(2,3)19-8-10(21)9-22-13-6-4-5-11-14(13)15(17)12(7-18)20-11/h4-6,10,19-21H,8-9H2,1-3H3
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n/an/an/a 0.0631n/an/an/an/an/a



The University of Melbourne

Curated by ChEMBL


Assay Description
Antagonist activity at rat wild type beta-1 adrenergic receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50422862
PNG
(125I-CYP | CHEMBL210309)
Show SMILES CC(C)(C)NCC(O)COc1cccc2[nH]c(C#N)c(I)c12
Show InChI InChI=1S/C16H20IN3O2/c1-16(2,3)19-8-10(21)9-22-13-6-4-5-11-14(13)15(17)12(7-18)20-11/h4-6,10,19-21H,8-9H2,1-3H3
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n/an/an/a 0.0631n/an/an/an/an/a



The University of Melbourne

Curated by ChEMBL


Assay Description
Antagonist activity at rat beta-1 adrenergic receptor W134A mutant expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50422862
PNG
(125I-CYP | CHEMBL210309)
Show SMILES CC(C)(C)NCC(O)COc1cccc2[nH]c(C#N)c(I)c12
Show InChI InChI=1S/C16H20IN3O2/c1-16(2,3)19-8-10(21)9-22-13-6-4-5-11-14(13)15(17)12(7-18)20-11/h4-6,10,19-21H,8-9H2,1-3H3
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n/an/an/a 0.0794n/an/an/an/an/a



The University of Melbourne

Curated by ChEMBL


Assay Description
Antagonist activity at rat beta-1 adrenergic receptor Y356F mutant expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50405526
PNG
(CHEMBL543955)
Show SMILES CC(C)NCC(O)COc1ccc(CCOCC2CCC2)cc1
Show InChI InChI=1S/C19H31NO3/c1-15(2)20-12-18(21)14-23-19-8-6-16(7-9-19)10-11-22-13-17-4-3-5-17/h6-9,15,17-18,20-21H,3-5,10-14H2,1-2H3
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n/an/an/a 0.275n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Cardioselectivity for the beta-1 adrenergic receptor was determined against isoprenaline (antagonism) in isolated rat atria


J Med Chem 30: 1003-11 (1987)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50405526
PNG
(CHEMBL543955)
Show SMILES CC(C)NCC(O)COc1ccc(CCOCC2CCC2)cc1
Show InChI InChI=1S/C19H31NO3/c1-15(2)20-12-18(21)14-23-19-8-6-16(7-9-19)10-11-22-13-17-4-3-5-17/h6-9,15,17-18,20-21H,3-5,10-14H2,1-2H3
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n/an/an/a 0.282n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity was determined against beta-1 adrenergic receptor in spontaneously beating rat atria


J Med Chem 30: 1003-11 (1987)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50422862
PNG
(125I-CYP | CHEMBL210309)
Show SMILES CC(C)(C)NCC(O)COc1cccc2[nH]c(C#N)c(I)c12
Show InChI InChI=1S/C16H20IN3O2/c1-16(2,3)19-8-10(21)9-22-13-6-4-5-11-14(13)15(17)12(7-18)20-11/h4-6,10,19-21H,8-9H2,1-3H3
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n/an/an/a 0.316n/an/an/an/an/a



The University of Melbourne

Curated by ChEMBL


Assay Description
Antagonist activity at rat beta-1 adrenergic receptor Y356A mutant expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50405522
PNG
(CHEMBL267375 | CHEMBL542536)
Show SMILES CC(C)NCC(O)COc1ccc(CCOC2CCCC2)cc1
Show InChI InChI=1S/C19H31NO3/c1-15(2)20-13-17(21)14-23-19-9-7-16(8-10-19)11-12-22-18-5-3-4-6-18/h7-10,15,17-18,20-21H,3-6,11-14H2,1-2H3
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n/an/an/a 0.501n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity was determined against beta-1 adrenergic receptor in spontaneously beating rat atria


J Med Chem 30: 1003-11 (1987)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50405522
PNG
(CHEMBL267375 | CHEMBL542536)
Show SMILES CC(C)NCC(O)COc1ccc(CCOC2CCCC2)cc1
Show InChI InChI=1S/C19H31NO3/c1-15(2)20-13-17(21)14-23-19-9-7-16(8-10-19)11-12-22-18-5-3-4-6-18/h7-10,15,17-18,20-21H,3-6,11-14H2,1-2H3
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n/an/an/a 2n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity was determined against beta-1 adrenergic receptor in spontaneously beating rat atria


J Med Chem 30: 1003-11 (1987)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(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/an/a 2.40n/an/an/an/an/a



University of Grenoble

Curated by ChEMBL


Assay Description
Beta-1 adrenergic receptor-Antagonism in isolated rat heart ventricle. ( for R-enantiomer)


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50405521
PNG
(ALO 1401-02 | ALO-1401-02 | BETAXOLOL HYDROCHLORID...)
Show SMILES CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1
Show InChI InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3
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n/an/an/a 2.95n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity was determined against beta-1 adrenergic receptor in spontaneously beating rat atria


J Med Chem 30: 1003-11 (1987)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50405532
PNG
(CHEMBL544190)
Show SMILES OC(CNC1CC1)COc1ccc(CCOCC2CCC2)cc1
Show InChI InChI=1S/C19H29NO3/c21-18(12-20-17-6-7-17)14-23-19-8-4-15(5-9-19)10-11-22-13-16-2-1-3-16/h4-5,8-9,16-18,20-21H,1-3,6-7,10-14H2
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n/an/an/a 2.95n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity was determined against beta-1 adrenergic receptor in spontaneously beating rat atria


J Med Chem 30: 1003-11 (1987)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50405521
PNG
(ALO 1401-02 | ALO-1401-02 | BETAXOLOL HYDROCHLORID...)
Show SMILES CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1
Show InChI InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3
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n/an/an/a 3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity was determined against beta-1 adrenergic receptor in spontaneously beating rat atria


J Med Chem 30: 1003-11 (1987)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50405521
PNG
(ALO 1401-02 | ALO-1401-02 | BETAXOLOL HYDROCHLORID...)
Show SMILES CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1
Show InChI InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3
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n/an/an/a 3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Cardioselectivity for the beta-1 adrenergic receptor was determined against isoprenaline (antagonism) in isolated rat atria


J Med Chem 30: 1003-11 (1987)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(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/an/a 4.37n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity was determined against beta-1 adrenergic receptor in spontaneously beating rat atria


J Med Chem 30: 1003-11 (1987)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(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/an/a 4.40n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Cardioselectivity for the beta-1 adrenergic receptor was determined against isoprenaline (antagonism) in isolated rat atria


J Med Chem 30: 1003-11 (1987)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM25752
PNG
(Betaxolol | Levobetaxolol | [(2S)-3-{4-[2-(cyclopr...)
Show SMILES CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1
Show InChI InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3/t17-/m0/s1
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n/an/an/a 5.01n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity was determined against beta-1 adrenergic receptor in spontaneously beating rat atria


J Med Chem 30: 1003-11 (1987)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50405528
PNG
(CHEMBL7250)
Show SMILES CC(C)NCC(O)COc1ccc(CCOC2CCCCC2)cc1
Show InChI InChI=1S/C20H33NO3/c1-16(2)21-14-18(22)15-24-20-10-8-17(9-11-20)12-13-23-19-6-4-3-5-7-19/h8-11,16,18-19,21-22H,3-7,12-15H2,1-2H3
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n/an/an/a 5.89n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity was determined against beta-1 adrenergic receptor in spontaneously beating rat atria


J Med Chem 30: 1003-11 (1987)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50405519
PNG
(CHEMBL544661)
Show SMILES CC(C)NCC(O)COc1ccc(CCS(=O)(=O)CC2CCCCC2)cc1
Show InChI InChI=1S/C21H35NO4S/c1-17(2)22-14-20(23)15-26-21-10-8-18(9-11-21)12-13-27(24,25)16-19-6-4-3-5-7-19/h8-11,17,19-20,22-23H,3-7,12-16H2,1-2H3
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n/an/an/a 7.41n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity was determined against beta-1 adrenergic receptor in spontaneously beating rat atria


J Med Chem 30: 1003-11 (1987)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50405536
PNG
(CHEMBL6939)
Show SMILES CC(C)NCC(O)COc1ccc(COCC2CC2)cc1
Show InChI InChI=1S/C17H27NO3/c1-13(2)18-9-16(19)12-21-17-7-5-15(6-8-17)11-20-10-14-3-4-14/h5-8,13-14,16,18-19H,3-4,9-12H2,1-2H3
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n/an/an/a 9.77n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity was determined against beta-1 adrenergic receptor in spontaneously beating rat atria


J Med Chem 30: 1003-11 (1987)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50405536
PNG
(CHEMBL6939)
Show SMILES CC(C)NCC(O)COc1ccc(COCC2CC2)cc1
Show InChI InChI=1S/C17H27NO3/c1-13(2)18-9-16(19)12-21-17-7-5-15(6-8-17)11-20-10-14-3-4-14/h5-8,13-14,16,18-19H,3-4,9-12H2,1-2H3
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n/an/an/a 9.80n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Cardioselectivity for the beta-1 adrenergic receptor was determined against isoprenaline (antagonism) in isolated rat atria


J Med Chem 30: 1003-11 (1987)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50064205
PNG
(CHEMBL42117 | Dicyclopropyl-methanone O-[3-(4-tert...)
Show SMILES CC(C)(C)c1ccc(NCC(O)CON=C(C2CC2)C2CC2)cc1
Show InChI InChI=1S/C20H30N2O2/c1-20(2,3)16-8-10-17(11-9-16)21-12-18(23)13-24-22-19(14-4-5-14)15-6-7-15/h8-11,14-15,18,21,23H,4-7,12-13H2,1-3H3
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n/an/an/a 10n/an/an/an/an/a



University of Grenoble

Curated by ChEMBL


Assay Description
Beta-1 adrenergic receptor-Antagonism in isolated rat heart ventricle. ( for S-enantiomer)


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50064205
PNG
(CHEMBL42117 | Dicyclopropyl-methanone O-[3-(4-tert...)
Show SMILES CC(C)(C)c1ccc(NCC(O)CON=C(C2CC2)C2CC2)cc1
Show InChI InChI=1S/C20H30N2O2/c1-20(2,3)16-8-10-17(11-9-16)21-12-18(23)13-24-22-19(14-4-5-14)15-6-7-15/h8-11,14-15,18,21,23H,4-7,12-13H2,1-3H3
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n/an/an/a 11n/an/an/an/an/a



University of Grenoble

Curated by ChEMBL


Assay Description
Beta-1 adrenergic receptor-Antagonism in isolated rat heart ventricle. ( for R-enantiomer)


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50405529
PNG
(CHEMBL543011)
Show SMILES CC(C)NCC(O)COc1ccc(CCS(=O)(=O)CC2CCC2)cc1
Show InChI InChI=1S/C19H31NO4S/c1-15(2)20-12-18(21)13-24-19-8-6-16(7-9-19)10-11-25(22,23)14-17-4-3-5-17/h6-9,15,17-18,20-21H,3-5,10-14H2,1-2H3
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TBA

Curated by ChEMBL


Assay Description
Antagonist activity was determined against beta-1 adrenergic receptor in spontaneously beating rat atria


J Med Chem 30: 1003-11 (1987)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50064207
PNG
(CHEMBL40217 | Dicyclopropyl-methanone O-(2-hydroxy...)
Show SMILES Cc1ccc(NCC(O)CON=C(C2CC2)C2CC2)cc1
Show InChI InChI=1S/C17H24N2O2/c1-12-2-8-15(9-3-12)18-10-16(20)11-21-19-17(13-4-5-13)14-6-7-14/h2-3,8-9,13-14,16,18,20H,4-7,10-11H2,1H3
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n/an/an/a 13n/an/an/an/an/a



University of Grenoble

Curated by ChEMBL


Assay Description
Beta-1 adrenergic receptor-Antagonism in isolated rat heart ventricle. ( for R-enantiomer)


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50064207
PNG
(CHEMBL40217 | Dicyclopropyl-methanone O-(2-hydroxy...)
Show SMILES Cc1ccc(NCC(O)CON=C(C2CC2)C2CC2)cc1
Show InChI InChI=1S/C17H24N2O2/c1-12-2-8-15(9-3-12)18-10-16(20)11-21-19-17(13-4-5-13)14-6-7-14/h2-3,8-9,13-14,16,18,20H,4-7,10-11H2,1H3
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n/an/an/a 14n/an/an/an/an/a



University of Grenoble

Curated by ChEMBL


Assay Description
Beta-1 adrenergic receptor-Antagonism in isolated rat heart ventricle. ( for S-enantiomer)


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50405534
PNG
(CHEMBL543957)
Show SMILES COc1ccc(CCNCC(O)COc2ccc(CCOCC3CCC3)cc2)cc1OC
Show InChI InChI=1S/C26H37NO5/c1-29-25-11-8-21(16-26(25)30-2)12-14-27-17-23(28)19-32-24-9-6-20(7-10-24)13-15-31-18-22-4-3-5-22/h6-11,16,22-23,27-28H,3-5,12-15,17-19H2,1-2H3
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n/an/an/a 17.8n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity was determined against beta-1 adrenergic receptor in spontaneously beating rat atria


J Med Chem 30: 1003-11 (1987)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(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/an/a 22.9n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Cardioselectivity for the beta-1 adrenergic receptor was determined against isoprenaline (antagonism) in isolated rat atria


J Med Chem 30: 1003-11 (1987)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(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/an/a 23n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity was determined against beta-1 adrenergic receptor in spontaneously beating rat atria


J Med Chem 30: 1003-11 (1987)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50405525
PNG
(CHEMBL552898)
Show SMILES CC(C)NCC(O)COc1ccc(COCC2CCC2)cc1
Show InChI InChI=1S/C18H29NO3/c1-14(2)19-10-17(20)13-22-18-8-6-16(7-9-18)12-21-11-15-4-3-5-15/h6-9,14-15,17,19-20H,3-5,10-13H2,1-2H3
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n/an/an/a 36.3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity was determined against beta-1 adrenergic receptor in spontaneously beating rat atria


J Med Chem 30: 1003-11 (1987)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50405527
PNG
(CHEMBL6902)
Show SMILES CC(C)NCC(O)COc1ccc(CS(=O)CC2CC2)cc1
Show InChI InChI=1S/C17H27NO3S/c1-13(2)18-9-16(19)10-21-17-7-5-15(6-8-17)12-22(20)11-14-3-4-14/h5-8,13-14,16,18-19H,3-4,9-12H2,1-2H3
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n/an/an/a 41.7n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity was determined against beta-1 adrenergic receptor in spontaneously beating rat atria


J Med Chem 30: 1003-11 (1987)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50064217
PNG
(CHEMBL43850 | Dicyclopropyl-methanone O-[3-(1H-ben...)
Show SMILES OC(CNc1nc2ccccc2[nH]1)CON=C(C1CC1)C1CC1
Show InChI InChI=1S/C17H22N4O2/c22-13(10-23-21-16(11-5-6-11)12-7-8-12)9-18-17-19-14-3-1-2-4-15(14)20-17/h1-4,11-13,22H,5-10H2,(H2,18,19,20)
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n/an/an/a 49n/an/an/an/an/a



University of Grenoble

Curated by ChEMBL


Assay Description
Beta-1 adrenergic receptor-Antagonism in isolated rat heart ventricle. ( for S-enantiomer)


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50405524
PNG
(CHEMBL543484)
Show SMILES CC(=O)NCCNCC(O)COc1ccc(CCOCC2CCC2)cc1
Show InChI InChI=1S/C20H32N2O4/c1-16(23)22-11-10-21-13-19(24)15-26-20-7-5-17(6-8-20)9-12-25-14-18-3-2-4-18/h5-8,18-19,21,24H,2-4,9-15H2,1H3,(H,22,23)
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n/an/an/a 61.7n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity was determined against beta-1 adrenergic receptor in spontaneously beating rat atria


J Med Chem 30: 1003-11 (1987)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50405530
PNG
(CHEMBL7043)
Show SMILES CC(C)NCC(O)COc1ccc(CCSCC2CCC2)cc1
Show InChI InChI=1S/C19H31NO2S/c1-15(2)20-12-18(21)13-22-19-8-6-16(7-9-19)10-11-23-14-17-4-3-5-17/h6-9,15,17-18,20-21H,3-5,10-14H2,1-2H3
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n/an/an/a 77.6n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity was determined against beta-1 adrenergic receptor in spontaneously beating rat atria


J Med Chem 30: 1003-11 (1987)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50405518
PNG
(CHEMBL7209)
Show SMILES CC(C)NCC(O)COc1ccc(CCCOCC2CCC2)cc1
Show InChI InChI=1S/C20H33NO3/c1-16(2)21-13-19(22)15-24-20-10-8-17(9-11-20)7-4-12-23-14-18-5-3-6-18/h8-11,16,18-19,21-22H,3-7,12-15H2,1-2H3
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n/an/an/a 95.5n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity was determined against beta-1 adrenergic receptor in spontaneously beating rat atria


J Med Chem 30: 1003-11 (1987)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50405531
PNG
(CHEMBL6712)
Show SMILES CC(C)NCC(O)COc1ccc(CCOCC2CCCC2)cc1
Show InChI InChI=1S/C20H33NO3/c1-16(2)21-13-19(22)15-24-20-9-7-17(8-10-20)11-12-23-14-18-5-3-4-6-18/h7-10,16,18-19,21-22H,3-6,11-15H2,1-2H3
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n/an/an/a 129n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity was determined against beta-1 adrenergic receptor in spontaneously beating rat atria


J Med Chem 30: 1003-11 (1987)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50405520
PNG
(CHEMBL542776)
Show SMILES CC(C)NCC(O)COc1ccc(CCOCC2CCCCC2)cc1
Show InChI InChI=1S/C21H35NO3/c1-17(2)22-14-20(23)16-25-21-10-8-18(9-11-21)12-13-24-15-19-6-4-3-5-7-19/h8-11,17,19-20,22-23H,3-7,12-16H2,1-2H3
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n/an/an/a 145n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity was determined against beta-1 adrenergic receptor in spontaneously beating rat atria


J Med Chem 30: 1003-11 (1987)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50405520
PNG
(CHEMBL542776)
Show SMILES CC(C)NCC(O)COc1ccc(CCOCC2CCCCC2)cc1
Show InChI InChI=1S/C21H35NO3/c1-17(2)22-14-20(23)16-25-21-10-8-18(9-11-21)12-13-24-15-19-6-4-3-5-7-19/h8-11,17,19-20,22-23H,3-7,12-16H2,1-2H3
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n/an/an/a 145n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Cardioselectivity for the beta-1 adrenergic receptor was determined against isoprenaline (antagonism) in isolated rat atria


J Med Chem 30: 1003-11 (1987)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50405533
PNG
(CHEMBL542777)
Show SMILES CC(C)NCC(O)COc1ccc(CCS(=O)(=O)CC2CCCO2)cc1
Show InChI InChI=1S/C19H31NO5S/c1-15(2)20-12-17(21)13-25-18-7-5-16(6-8-18)9-11-26(22,23)14-19-4-3-10-24-19/h5-8,15,17,19-21H,3-4,9-14H2,1-2H3
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n/an/an/a 158n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity was determined against beta-1 adrenergic receptor in spontaneously beating rat atria


J Med Chem 30: 1003-11 (1987)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50405517
PNG
(CHEMBL543717)
Show SMILES CC(CC#N)NCC(O)COc1ccc(CCOCC2CCC2)cc1
Show InChI InChI=1S/C20H30N2O3/c1-16(9-11-21)22-13-19(23)15-25-20-7-5-17(6-8-20)10-12-24-14-18-3-2-4-18/h5-8,16,18-19,22-23H,2-4,9-10,12-15H2,1H3
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n/an/an/a 339n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity was determined against beta-1 adrenergic receptor in spontaneously beating rat atria


J Med Chem 30: 1003-11 (1987)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(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/an/a 2.63E+3n/an/an/an/an/a



University of Grenoble

Curated by ChEMBL


Assay Description
Beta-1 adrenergic receptor-Antagonism in isolated rat heart ventricle. ( for S-enantiomer)


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50405537
PNG
(CHEMBL6749)
Show SMILES CC(CCc1ccc(F)cc1)NCC(O)COc1ccc(CCOCC2CCC2)cc1
Show InChI InChI=1S/C26H36FNO3/c1-20(5-6-21-7-11-24(27)12-8-21)28-17-25(29)19-31-26-13-9-22(10-14-26)15-16-30-18-23-3-2-4-23/h7-14,20,23,25,28-29H,2-6,15-19H2,1H3
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n/an/an/a 2.88E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity was determined against beta-1 adrenergic receptor in spontaneously beating rat atria


J Med Chem 30: 1003-11 (1987)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50405523
PNG
(CHEMBL267220)
Show SMILES CC(CCc1ccccc1)NCC(O)COc1ccc(CCOCC2CCC2)cc1
Show InChI InChI=1S/C26H37NO3/c1-21(10-11-22-6-3-2-4-7-22)27-18-25(28)20-30-26-14-12-23(13-15-26)16-17-29-19-24-8-5-9-24/h2-4,6-7,12-15,21,24-25,27-28H,5,8-11,16-20H2,1H3
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n/an/an/a 7.76E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity was determined against beta-1 adrenergic receptor in spontaneously beating rat atria


J Med Chem 30: 1003-11 (1987)

More data for this
Ligand-Target Pair