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Compile Data Set for Download or QSAR

Found 171 hits with Last Name = 'gross' and Initial = 'dm'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
ADRB2


(BOVINE)
BDBM25764
PNG
(ALPRENOLOL,(+) | ALPRENOLOL,(-) | Alfeprol | Alphe...)
Show SMILES CC(C)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of [3H]dihydroalprenolol radioligand binding to Beta-2 adrenergic receptor in calf lung membranes.


J Med Chem 25: 931-6 (1982)


Article DOI: 10.1021/jm00350a009
BindingDB Entry DOI: 10.7270/Q2ZP46P5
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM25764
PNG
(ALPRENOLOL,(+) | ALPRENOLOL,(-) | Alfeprol | Alphe...)
Show SMILES CC(C)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3
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n/an/a 4.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of [3H]dihydroalprenolol radioligand binding to Beta-1 adrenergic receptor in dog heart.


J Med Chem 25: 931-6 (1982)


Article DOI: 10.1021/jm00350a009
BindingDB Entry DOI: 10.7270/Q2ZP46P5
More data for this
Ligand-Target Pair
ADRB2


(BOVINE)
BDBM50026852
PNG
(1-Isopropylamino-3-(7-methyl-indan-4-yloxy)-propan...)
Show SMILES CC(C)NCC(O)COc1ccc(C)c2CCCc12
Show InChI InChI=1S/C16H25NO2/c1-11(2)17-9-13(18)10-19-16-8-7-12(3)14-5-4-6-15(14)16/h7-8,11,13,17-18H,4-6,9-10H2,1-3H3
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n/an/a 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of [3H]dihydroalprenolol radioligand binding to Beta-2 adrenergic receptor in calf lung membranes.


J Med Chem 25: 931-6 (1982)


Article DOI: 10.1021/jm00350a009
BindingDB Entry DOI: 10.7270/Q2ZP46P5
More data for this
Ligand-Target Pair
ADRB2


(BOVINE)
BDBM50367112
PNG
(CHEMBL1788270)
Show SMILES CC(C)(C)NC[C@@H](O)CON=C1c2ccccc2-c2ccccc12
Show InChI InChI=1S/C20H24N2O2/c1-20(2,3)21-12-14(23)13-24-22-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14,21,23H,12-13H2,1-3H3/t14-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of [3H]dihydroalprenolol radioligand binding to Beta-2 adrenergic receptor in calf lung membranes.


J Med Chem 25: 931-6 (1982)


Article DOI: 10.1021/jm00350a009
BindingDB Entry DOI: 10.7270/Q2ZP46P5
More data for this
Ligand-Target Pair
ADRB2


(BOVINE)
BDBM50026853
PNG
(CHEMBL368457 | Fluoren-9-one O-(3-tert-butylamino-...)
Show SMILES CC(C)(C)NCC(O)CON=C1c2ccccc2-c2ccccc12
Show InChI InChI=1S/C20H24N2O2/c1-20(2,3)21-12-14(23)13-24-22-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14,21,23H,12-13H2,1-3H3
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n/an/a 25n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of [3H]dihydroalprenolol radioligand binding to Beta-2 adrenergic receptor in calf lung membranes.


J Med Chem 25: 931-6 (1982)


Article DOI: 10.1021/jm00350a009
BindingDB Entry DOI: 10.7270/Q2ZP46P5
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50367111
PNG
(CHEMBL305153)
Show SMILES CC(C)(C)NC[C@H](O)CON=C1c2ccccc2-c2ccccc12
Show InChI InChI=1S/C20H24N2O2/c1-20(2,3)21-12-14(23)13-24-22-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14,21,23H,12-13H2,1-3H3/t14-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of [3H]dihydroalprenolol radioligand binding to Beta-1 adrenergic receptor in dog heart.


J Med Chem 25: 931-6 (1982)


Article DOI: 10.1021/jm00350a009
BindingDB Entry DOI: 10.7270/Q2ZP46P5
More data for this
Ligand-Target Pair
ADRB2


(BOVINE)
BDBM50367111
PNG
(CHEMBL305153)
Show SMILES CC(C)(C)NC[C@H](O)CON=C1c2ccccc2-c2ccccc12
Show InChI InChI=1S/C20H24N2O2/c1-20(2,3)21-12-14(23)13-24-22-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14,21,23H,12-13H2,1-3H3/t14-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of [3H]dihydroalprenolol radioligand binding to Beta-2 adrenergic receptor in calf lung membranes.


J Med Chem 25: 931-6 (1982)


Article DOI: 10.1021/jm00350a009
BindingDB Entry DOI: 10.7270/Q2ZP46P5
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
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/a 37n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of [3H]dihydroalprenolol radioligand binding to Beta-1 adrenergic receptor in dog heart


J Med Chem 25: 931-6 (1982)


Article DOI: 10.1021/jm00350a009
BindingDB Entry DOI: 10.7270/Q2ZP46P5
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50026853
PNG
(CHEMBL368457 | Fluoren-9-one O-(3-tert-butylamino-...)
Show SMILES CC(C)(C)NCC(O)CON=C1c2ccccc2-c2ccccc12
Show InChI InChI=1S/C20H24N2O2/c1-20(2,3)21-12-14(23)13-24-22-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14,21,23H,12-13H2,1-3H3
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n/an/a 38n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of [3H]dihydroalprenolol radioligand binding to Beta-1 adrenergic receptor in dog heart.


J Med Chem 25: 931-6 (1982)


Article DOI: 10.1021/jm00350a009
BindingDB Entry DOI: 10.7270/Q2ZP46P5
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50367112
PNG
(CHEMBL1788270)
Show SMILES CC(C)(C)NC[C@@H](O)CON=C1c2ccccc2-c2ccccc12
Show InChI InChI=1S/C20H24N2O2/c1-20(2,3)21-12-14(23)13-24-22-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14,21,23H,12-13H2,1-3H3/t14-/m1/s1
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n/an/a 43n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of [3H]dihydroalprenolol radioligand binding to Beta-1 adrenergic receptor in dog heart.


J Med Chem 25: 931-6 (1982)


Article DOI: 10.1021/jm00350a009
BindingDB Entry DOI: 10.7270/Q2ZP46P5
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50026852
PNG
(1-Isopropylamino-3-(7-methyl-indan-4-yloxy)-propan...)
Show SMILES CC(C)NCC(O)COc1ccc(C)c2CCCc12
Show InChI InChI=1S/C16H25NO2/c1-11(2)17-9-13(18)10-19-16-8-7-12(3)14-5-4-6-15(14)16/h7-8,11,13,17-18H,4-6,9-10H2,1-3H3
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n/an/a 186n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of [3H]dihydroalprenolol radioligand binding to Beta-1 adrenergic receptor in dog heart.


J Med Chem 25: 931-6 (1982)


Article DOI: 10.1021/jm00350a009
BindingDB Entry DOI: 10.7270/Q2ZP46P5
More data for this
Ligand-Target Pair
ADRB2


(BOVINE)
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/a 657n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of [3H]dihydroalprenolol radioligand binding to Beta-2 adrenergic receptor in calf lung membranes.


J Med Chem 25: 931-6 (1982)


Article DOI: 10.1021/jm00350a009
BindingDB Entry DOI: 10.7270/Q2ZP46P5
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50404976
PNG
(CHEMBL172431)
Show SMILES OC(CNC1CC1)COc1ccc(cc1)-c1ncc[nH]1
Show InChI InChI=1S/C15H19N3O2/c19-13(9-18-12-3-4-12)10-20-14-5-1-11(2-6-14)15-16-7-8-17-15/h1-2,5-8,12-13,18-19H,3-4,9-10H2,(H,16,17)
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n/an/an/a 676n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...


J Med Chem 26: 950-7 (1983)


Article DOI: 10.1021/jm00361a004
BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50404993
PNG
(CHEMBL174783)
Show SMILES CC(C)(C)NCC(O)COc1ccc(cc1)-c1ncc[nH]1
Show InChI InChI=1S/C16H23N3O2/c1-16(2,3)19-10-13(20)11-21-14-6-4-12(5-7-14)15-17-8-9-18-15/h4-9,13,19-20H,10-11H2,1-3H3,(H,17,18)
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n/an/an/a 60n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...


J Med Chem 26: 950-7 (1983)


Article DOI: 10.1021/jm00361a004
BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50404984
PNG
(CHEMBL366389)
Show SMILES COc1ccc(CCNCC(O)COc2ccc(cc2)-c2ncc([nH]2)C(F)(F)F)cc1OC
Show InChI InChI=1S/C23H26F3N3O4/c1-31-19-8-3-15(11-20(19)32-2)9-10-27-12-17(30)14-33-18-6-4-16(5-7-18)22-28-13-21(29-22)23(24,25)26/h3-8,11,13,17,27,30H,9-10,12,14H2,1-2H3,(H,28,29)
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n/an/an/a 5.40n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...


J Med Chem 26: 950-7 (1983)


Article DOI: 10.1021/jm00361a004
BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50404977
PNG
(CHEMBL11671)
Show SMILES COc1ccc(CCNCC(O)COc2ccc(cc2)-c2nc(c[nH]2)-c2cccs2)cc1OC
Show InChI InChI=1S/C26H29N3O4S/c1-31-23-10-5-18(14-24(23)32-2)11-12-27-15-20(30)17-33-21-8-6-19(7-9-21)26-28-16-22(29-26)25-4-3-13-34-25/h3-10,13-14,16,20,27,30H,11-12,15,17H2,1-2H3,(H,28,29)
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n/an/an/a 4.40n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...


J Med Chem 26: 950-7 (1983)


Article DOI: 10.1021/jm00361a004
BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50404979
PNG
(CHEMBL2096751)
Show SMILES COc1ccc(CCNC[C@H](O)COc2ccc(cc2)-c2ncc[nH]2)cc1OC
Show InChI InChI=1S/C22H27N3O4/c1-27-20-8-3-16(13-21(20)28-2)9-10-23-14-18(26)15-29-19-6-4-17(5-7-19)22-24-11-12-25-22/h3-8,11-13,18,23,26H,9-10,14-15H2,1-2H3,(H,24,25)/t18-/m0/s1
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n/an/an/a 2.95E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-2 adrenergic receptor activity was determined by measuring inhibition of the isoproterenol induced relaxation in isolated guinea pig tr...


J Med Chem 26: 950-7 (1983)


Article DOI: 10.1021/jm00361a004
BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50404981
PNG
(CHEMBL174106)
Show SMILES COc1ccc(CCNCC(O)COc2ccc(cc2)-c2nc(C)c[nH]2)cc1OC
Show InChI InChI=1S/C23H29N3O4/c1-16-13-25-23(26-16)18-5-7-20(8-6-18)30-15-19(27)14-24-11-10-17-4-9-21(28-2)22(12-17)29-3/h4-9,12-13,19,24,27H,10-11,14-15H2,1-3H3,(H,25,26)
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n/an/an/a 24n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...


J Med Chem 26: 950-7 (1983)


Article DOI: 10.1021/jm00361a004
BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50292219
PNG
((-)-3-morpholino-4-(3-tert-butylamino-2-hydroxypro...)
Show SMILES CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1
Show InChI InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/t10-/m0/s1
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n/an/an/a 0.363n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...


J Med Chem 26: 950-7 (1983)


Article DOI: 10.1021/jm00361a004
BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50404982
PNG
(CHEMBL366769)
Show SMILES CC(C)(C)NCC(O)COc1ccc(cc1)-c1nc(c[nH]1)-c1cccs1
Show InChI InChI=1S/C20H25N3O2S/c1-20(2,3)22-11-15(24)13-25-16-8-6-14(7-9-16)19-21-12-17(23-19)18-5-4-10-26-18/h4-10,12,15,22,24H,11,13H2,1-3H3,(H,21,23)
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n/an/an/a 1.60n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...


J Med Chem 26: 950-7 (1983)


Article DOI: 10.1021/jm00361a004
BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50404986
PNG
(CHEMBL427297)
Show SMILES Cc1c[nH]c(n1)-c1ccc(OCC(O)CNC(C)(C)C)cc1
Show InChI InChI=1S/C17H25N3O2/c1-12-9-18-16(20-12)13-5-7-15(8-6-13)22-11-14(21)10-19-17(2,3)4/h5-9,14,19,21H,10-11H2,1-4H3,(H,18,20)
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n/an/an/a 60n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...


J Med Chem 26: 950-7 (1983)


Article DOI: 10.1021/jm00361a004
BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50404983
PNG
(CHEMBL366573)
Show SMILES Cc1c[nH]c(n1)-c1ccc(OCC(O)CNC2CC2)cc1
Show InChI InChI=1S/C16H21N3O2/c1-11-8-18-16(19-11)12-2-6-15(7-3-12)21-10-14(20)9-17-13-4-5-13/h2-3,6-8,13-14,17,20H,4-5,9-10H2,1H3,(H,18,19)
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n/an/an/a 60n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...


J Med Chem 26: 950-7 (1983)


Article DOI: 10.1021/jm00361a004
BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50404991
PNG
(CHEMBL174259)
Show SMILES OC(CNCCc1ccccc1)COc1ccc(cc1)-c1nc(c[nH]1)-c1cccs1
Show InChI InChI=1S/C24H25N3O2S/c28-20(15-25-13-12-18-5-2-1-3-6-18)17-29-21-10-8-19(9-11-21)24-26-16-22(27-24)23-7-4-14-30-23/h1-11,14,16,20,25,28H,12-13,15,17H2,(H,26,27)
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n/an/an/a 186n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...


J Med Chem 26: 950-7 (1983)


Article DOI: 10.1021/jm00361a004
BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
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 1.70n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...


J Med Chem 26: 950-7 (1983)


Article DOI: 10.1021/jm00361a004
BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50404978
PNG
(CHEMBL173424)
Show SMILES OC(CNC1CC1)COc1ccc(cc1)-c1ncc([nH]1)C(F)(F)F
Show InChI InChI=1S/C16H18F3N3O2/c17-16(18,19)14-8-21-15(22-14)10-1-5-13(6-2-10)24-9-12(23)7-20-11-3-4-11/h1-2,5-6,8,11-12,20,23H,3-4,7,9H2,(H,21,22)
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n/an/an/a 0.851n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...


J Med Chem 26: 950-7 (1983)


Article DOI: 10.1021/jm00361a004
BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50404988
PNG
(CHEMBL11171)
Show SMILES CC(C)NCC(O)COc1ccc(cc1)-c1nc(c[nH]1)-c1cccs1
Show InChI InChI=1S/C19H23N3O2S/c1-13(2)20-10-15(23)12-24-16-7-5-14(6-8-16)19-21-11-17(22-19)18-4-3-9-25-18/h3-9,11,13,15,20,23H,10,12H2,1-2H3,(H,21,22)
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n/an/an/a 1.20n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...


J Med Chem 26: 950-7 (1983)


Article DOI: 10.1021/jm00361a004
BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
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 15n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...


J Med Chem 26: 950-7 (1983)


Article DOI: 10.1021/jm00361a004
BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50404980
PNG
(CHEMBL1788320)
Show SMILES COc1ccc(CCNC[C@H](O)COc2ccc(cc2)-c2nc(c[nH]2)-c2cccs2)cc1OC
Show InChI InChI=1S/C26H29N3O4S/c1-31-23-10-5-18(14-24(23)32-2)11-12-27-15-20(30)17-33-21-8-6-19(7-9-21)26-28-16-22(29-26)25-4-3-13-34-25/h3-10,13-14,16,20,27,30H,11-12,15,17H2,1-2H3,(H,28,29)/t20-/m0/s1
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n/an/an/a 0.851n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...


J Med Chem 26: 950-7 (1983)


Article DOI: 10.1021/jm00361a004
BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50404990
PNG
(CHEMBL177860)
Show SMILES COc1ccc(CC(C)(C)NCC(O)COc2ccc(cc2)-c2nc(c[nH]2)-c2cccs2)cc1OC
Show InChI InChI=1S/C28H33N3O4S/c1-28(2,15-19-7-12-24(33-3)25(14-19)34-4)30-16-21(32)18-35-22-10-8-20(9-11-22)27-29-17-23(31-27)26-6-5-13-36-26/h5-14,17,21,30,32H,15-16,18H2,1-4H3,(H,29,31)
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n/an/an/a 9.10n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...


J Med Chem 26: 950-7 (1983)


Article DOI: 10.1021/jm00361a004
BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50404985
PNG
(CHEMBL2093062)
Show SMILES COc1ccc(CCNC[C@@H](O)COc2ccc(cc2)-c2nc(c[nH]2)-c2cccs2)cc1OC
Show InChI InChI=1S/C26H29N3O4S/c1-31-23-10-5-18(14-24(23)32-2)11-12-27-15-20(30)17-33-21-8-6-19(7-9-21)26-28-16-22(29-26)25-4-3-13-34-25/h3-10,13-14,16,20,27,30H,11-12,15,17H2,1-2H3,(H,28,29)/t20-/m1/s1
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n/an/an/a 54n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...


J Med Chem 26: 950-7 (1983)


Article DOI: 10.1021/jm00361a004
BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
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 105n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-2 adrenergic receptor activity was determined by measuring inhibition of the isoproterenol induced relaxation in isolated guinea pig tr...


J Med Chem 26: 950-7 (1983)


Article DOI: 10.1021/jm00361a004
BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM25753
PNG
(2-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl...)
Show SMILES CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
Show InChI InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
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n/an/an/a 24n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...


J Med Chem 26: 950-7 (1983)


Article DOI: 10.1021/jm00361a004
BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50404979
PNG
(CHEMBL2096751)
Show SMILES COc1ccc(CCNC[C@H](O)COc2ccc(cc2)-c2ncc[nH]2)cc1OC
Show InChI InChI=1S/C22H27N3O4/c1-27-20-8-3-16(13-21(20)28-2)9-10-23-14-18(26)15-29-19-6-4-17(5-7-19)22-24-11-12-25-22/h3-8,11-13,18,23,26H,9-10,14-15H2,1-2H3,(H,24,25)/t18-/m0/s1
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n/an/an/a 11n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...


J Med Chem 26: 950-7 (1983)


Article DOI: 10.1021/jm00361a004
BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
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 1.70n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...


J Med Chem 26: 950-7 (1983)


Article DOI: 10.1021/jm00361a004
BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50404987
PNG
(CHEMBL3085291)
Show SMILES CC(C)(C)NC[C@H](O)COc1ccc(cc1)-c1nc(c[nH]1)C(F)(F)F
Show InChI InChI=1S/C17H22F3N3O2/c1-16(2,3)22-8-12(24)10-25-13-6-4-11(5-7-13)15-21-9-14(23-15)17(18,19)20/h4-7,9,12,22,24H,8,10H2,1-3H3,(H,21,23)/t12-/m0/s1
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n/an/an/a 0.891n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...


J Med Chem 26: 950-7 (1983)


Article DOI: 10.1021/jm00361a004
BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50404989
PNG
(CHEMBL2096750)
Show SMILES O[C@@H](CNC1CC1)COc1ccc(cc1)-c1nc(c[nH]1)-c1cccs1
Show InChI InChI=1S/C19H21N3O2S/c23-15(10-20-14-5-6-14)12-24-16-7-3-13(4-8-16)19-21-11-17(22-19)18-2-1-9-25-18/h1-4,7-9,11,14-15,20,23H,5-6,10,12H2,(H,21,22)/t15-/m0/s1
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n/an/an/a 6.20n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...


J Med Chem 26: 950-7 (1983)


Article DOI: 10.1021/jm00361a004
BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM25749
PNG
(CHEMBL6995 | N-{4-[2-hydroxy-3-(propan-2-ylamino)p...)
Show SMILES CC(C)NCC(O)COc1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C14H22N2O3/c1-10(2)15-8-13(18)9-19-14-6-4-12(5-7-14)16-11(3)17/h4-7,10,13,15,18H,8-9H2,1-3H3,(H,16,17)
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n/an/an/a 105n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...


J Med Chem 26: 950-7 (1983)


Article DOI: 10.1021/jm00361a004
BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50404979
PNG
(CHEMBL2096751)
Show SMILES COc1ccc(CCNC[C@H](O)COc2ccc(cc2)-c2ncc[nH]2)cc1OC
Show InChI InChI=1S/C22H27N3O4/c1-27-20-8-3-16(13-21(20)28-2)9-10-23-14-18(26)15-29-19-6-4-17(5-7-19)22-24-11-12-25-22/h3-8,11-13,18,23,26H,9-10,14-15H2,1-2H3,(H,24,25)/t18-/m0/s1
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n/an/an/a 21n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...


J Med Chem 26: 950-7 (1983)


Article DOI: 10.1021/jm00361a004
BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50404994
PNG
(CHEMBL2096752)
Show SMILES O[C@@H](CNC1CC1)COc1ccc(cc1)-c1ncc([nH]1)C(F)(F)F
Show InChI InChI=1S/C16H18F3N3O2/c17-16(18,19)14-8-21-15(22-14)10-1-5-13(6-2-10)24-9-12(23)7-20-11-3-4-11/h1-2,5-6,8,11-12,20,23H,3-4,7,9H2,(H,21,22)/t12-/m0/s1
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n/an/an/a 1.90n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...


J Med Chem 26: 950-7 (1983)


Article DOI: 10.1021/jm00361a004
BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50404989
PNG
(CHEMBL2096750)
Show SMILES O[C@@H](CNC1CC1)COc1ccc(cc1)-c1nc(c[nH]1)-c1cccs1
Show InChI InChI=1S/C19H21N3O2S/c23-15(10-20-14-5-6-14)12-24-16-7-3-13(4-8-16)19-21-11-17(22-19)18-2-1-9-25-18/h1-4,7-9,11,14-15,20,23H,5-6,10,12H2,(H,21,22)/t15-/m0/s1
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n/an/an/a 6.30n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...


J Med Chem 26: 950-7 (1983)


Article DOI: 10.1021/jm00361a004
BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50404992
PNG
(CHEMBL177765)
Show SMILES COc1ccc(CC(C)NCC(O)COc2ccc(cc2)-c2nc(c[nH]2)-c2cccs2)cc1OC
Show InChI InChI=1S/C27H31N3O4S/c1-18(13-19-6-11-24(32-2)25(14-19)33-3)28-15-21(31)17-34-22-9-7-20(8-10-22)27-29-16-23(30-27)26-5-4-12-35-26/h4-12,14,16,18,21,28,31H,13,15,17H2,1-3H3,(H,29,30)
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n/an/an/a 6n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...


J Med Chem 26: 950-7 (1983)


Article DOI: 10.1021/jm00361a004
BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50404989
PNG
(CHEMBL2096750)
Show SMILES O[C@@H](CNC1CC1)COc1ccc(cc1)-c1nc(c[nH]1)-c1cccs1
Show InChI InChI=1S/C19H21N3O2S/c23-15(10-20-14-5-6-14)12-24-16-7-3-13(4-8-16)19-21-11-17(22-19)18-2-1-9-25-18/h1-4,7-9,11,14-15,20,23H,5-6,10,12H2,(H,21,22)/t15-/m0/s1
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n/an/an/a 2.51E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-2 adrenergic receptor activity was determined by measuring inhibition of the isoproterenol induced relaxation in isolated guinea pig tr...


J Med Chem 26: 950-7 (1983)


Article DOI: 10.1021/jm00361a004
BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50405431
PNG
(CHEMBL275934)
Show SMILES COc1ccc(CCNCC(O)COc2ccc(OCc3ncc[nH]3)cc2)cc1OC
Show InChI InChI=1S/C23H29N3O5/c1-28-21-8-3-17(13-22(21)29-2)9-10-24-14-18(27)15-30-19-4-6-20(7-5-19)31-16-23-25-11-12-26-23/h3-8,11-13,18,24,27H,9-10,14-16H2,1-2H3,(H,25,26)
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n/an/an/a 17n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...


J Med Chem 29: 1065-80 (1986)


Article DOI: 10.1021/jm00156a028
BindingDB Entry DOI: 10.7270/Q2BP0408
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50405425
PNG
(CHEMBL11224)
Show SMILES COc1ccc(CCNCC(O)COc2ccc(cc2)-c2nc(C)c(Cl)[nH]2)cc1OC
Show InChI InChI=1S/C23H28ClN3O4/c1-15-22(24)27-23(26-15)17-5-7-19(8-6-17)31-14-18(28)13-25-11-10-16-4-9-20(29-2)21(12-16)30-3/h4-9,12,18,25,28H,10-11,13-14H2,1-3H3,(H,26,27)
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n/an/an/a 7.90n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...


J Med Chem 29: 1065-80 (1986)


Article DOI: 10.1021/jm00156a028
BindingDB Entry DOI: 10.7270/Q2BP0408
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50405415
PNG
(CHEMBL442522)
Show SMILES COc1ccc(CCNCC(O)COc2ccc(cc2)-c2ncc(CN3CCOCC3)[nH]2)cc1OC
Show InChI InChI=1S/C27H36N4O5/c1-33-25-8-3-20(15-26(25)34-2)9-10-28-17-23(32)19-36-24-6-4-21(5-7-24)27-29-16-22(30-27)18-31-11-13-35-14-12-31/h3-8,15-16,23,28,32H,9-14,17-19H2,1-2H3,(H,29,30)
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n/an/an/a 19n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...


J Med Chem 29: 1065-80 (1986)


Article DOI: 10.1021/jm00156a028
BindingDB Entry DOI: 10.7270/Q2BP0408
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50405432
PNG
(CHEMBL269467)
Show SMILES COc1ccc(CCNCC(O)COc2ccc(Cc3ncc(C)[nH]3)cc2)cc1OC
Show InChI InChI=1S/C24H31N3O4/c1-17-14-26-24(27-17)13-18-4-7-21(8-5-18)31-16-20(28)15-25-11-10-19-6-9-22(29-2)23(12-19)30-3/h4-9,12,14,20,25,28H,10-11,13,15-16H2,1-3H3,(H,26,27)
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n/an/an/a 22n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...


J Med Chem 29: 1065-80 (1986)


Article DOI: 10.1021/jm00156a028
BindingDB Entry DOI: 10.7270/Q2BP0408
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM25748
PNG
(3-(2-{[3-(2-cyanophenoxy)-2-hydroxypropyl]amino}et...)
Show SMILES OC(CNCCNC(=O)Nc1ccccc1)COc1ccccc1C#N
Show InChI InChI=1S/C19H22N4O3/c20-12-15-6-4-5-9-18(15)26-14-17(24)13-21-10-11-22-19(25)23-16-7-2-1-3-8-16/h1-9,17,21,24H,10-11,13-14H2,(H2,22,23,25)
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n/an/an/a 0.933n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...


J Med Chem 29: 1065-80 (1986)


Article DOI: 10.1021/jm00156a028
BindingDB Entry DOI: 10.7270/Q2BP0408
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50405426
PNG
(CHEMBL11219)
Show SMILES CCCCNC(=O)NCCNCC(O)COc1ccc(cc1)-c1nc(C)c[nH]1
Show InChI InChI=1S/C20H31N5O3/c1-3-4-9-22-20(27)23-11-10-21-13-17(26)14-28-18-7-5-16(6-8-18)19-24-12-15(2)25-19/h5-8,12,17,21,26H,3-4,9-11,13-14H2,1-2H3,(H,24,25)(H2,22,23,27)
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n/an/an/a 93n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...


J Med Chem 29: 1065-80 (1986)


Article DOI: 10.1021/jm00156a028
BindingDB Entry DOI: 10.7270/Q2BP0408
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50405402
PNG
(CHEMBL11080)
Show SMILES COc1ccc(CCNCC(O)COc2ccc(COCc3ncc[nH]3)cc2)cc1OC
Show InChI InChI=1S/C24H31N3O5/c1-29-22-8-5-18(13-23(22)30-2)9-10-25-14-20(28)16-32-21-6-3-19(4-7-21)15-31-17-24-26-11-12-27-24/h3-8,11-13,20,25,28H,9-10,14-17H2,1-2H3,(H,26,27)
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n/an/an/a 6.90n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...


J Med Chem 29: 1065-80 (1986)


Article DOI: 10.1021/jm00156a028
BindingDB Entry DOI: 10.7270/Q2BP0408
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50405421
PNG
(CHEMBL415970)
Show SMILES COc1ccc(CCNCC(O)COc2ccc(CCc3nc(c[nH]3)-c3cccs3)cc2)cc1OC
Show InChI InChI=1S/C28H33N3O4S/c1-33-25-11-7-21(16-26(25)34-2)13-14-29-17-22(32)19-35-23-9-5-20(6-10-23)8-12-28-30-18-24(31-28)27-4-3-15-36-27/h3-7,9-11,15-16,18,22,29,32H,8,12-14,17,19H2,1-2H3,(H,30,31)
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n/an/an/a 3.10n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...


J Med Chem 29: 1065-80 (1986)


Article DOI: 10.1021/jm00156a028
BindingDB Entry DOI: 10.7270/Q2BP0408
More data for this
Ligand-Target Pair
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