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Compile Data Set for Download or QSAR

Found 58 hits with Last Name = 'adejare' and Initial = 'a'   
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
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50029050
PNG
((-)-(R)-epinephrine | (-)-3,4-dihydroxy-alpha-((me...)
Show SMILES CNC[C@H](O)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1
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5n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL




J Med Chem 31: 1972-7 (1988)


BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50019057
PNG
((+/-)4-Fluoro-5-(1-hydroxy-2-methylamino-ethyl)-be...)
Show SMILES CNCC(O)c1cc(O)c(O)cc1F
Show InChI InChI=1S/C9H12FNO3/c1-11-4-9(14)5-2-7(12)8(13)3-6(5)10/h2-3,9,11-14H,4H2,1H3
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9n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against beta-1 adrenergic receptor in guinea pig cerebral cortical membranes by displacement of Dihydro-[3H]-alprenolol


J Med Chem 31: 1972-7 (1988)


BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50019061
PNG
((+/-)4-(2-Amino-1-hydroxy-ethyl)-5-fluoro-benzene-...)
Show SMILES NCC(O)c1cc(O)c(O)cc1F
Show InChI InChI=1S/C8H10FNO3/c9-5-2-7(12)6(11)1-4(5)8(13)3-10/h1-2,8,11-13H,3,10H2
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12n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in guinea pig cerebral cortical membranes by displacement of [3H]- WB-4101


J Med Chem 31: 1972-7 (1988)


BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50029051
PNG
((-)-arterenol | (-)-noradrenaline | (-)-norepineph...)
Show SMILES NC[C@H](O)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
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30n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL




J Med Chem 31: 1972-7 (1988)


BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50007477
PNG
(4-(3-tert-Butylamino-2-hydroxy-propoxy)-3-fluoro-b...)
Show SMILES CC(C)(C)NCC(O)COc1ccc(O)c(O)c1F
Show InChI InChI=1S/C13H20FNO4/c1-13(2,3)15-6-8(16)7-19-10-5-4-9(17)12(18)11(10)14/h4-5,8,15-18H,6-7H2,1-3H3
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60n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of binding of [3H]-dihydroalprenolol from beta-1 adrenergic receptor of rat cerebral cortical membranes


J Med Chem 34: 1063-8 (1991)


BindingDB Entry DOI: 10.7270/Q2765D9R
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50019059
PNG
((+/-)3-Fluoro-4-(1-hydroxy-2-methylamino-ethyl)-be...)
Show SMILES CNCC(O)c1ccc(O)c(O)c1F
Show InChI InChI=1S/C9H12FNO3/c1-11-4-7(13)5-2-3-6(12)9(14)8(5)10/h2-3,7,11-14H,4H2,1H3
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66n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL




J Med Chem 31: 1972-7 (1988)


BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50007476
PNG
(4-(3-tert-Butylamino-2-hydroxy-propoxy)-benzene-1,...)
Show SMILES CC(C)(C)NCC(O)COc1ccc(O)c(O)c1
Show InChI InChI=1S/C13H21NO4/c1-13(2,3)14-7-9(15)8-18-10-4-5-11(16)12(17)6-10/h4-6,9,14-17H,7-8H2,1-3H3
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120n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of binding of [3H]-dihydroalprenolol from beta-1 adrenergic receptor of rat cerebral cortical membranes


J Med Chem 34: 1063-8 (1991)


BindingDB Entry DOI: 10.7270/Q2765D9R
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50019060
PNG
((+/-)4-(2-Amino-1-hydroxy-ethyl)-3-fluoro-benzene-...)
Show SMILES NCC(O)c1ccc(O)c(O)c1F
Show InChI InChI=1S/C8H10FNO3/c9-7-4(6(12)3-10)1-2-5(11)8(7)13/h1-2,6,11-13H,3,10H2
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350n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against beta-1 adrenergic receptor in guinea pig cerebral cortical membranes by displacement of Dihydro-[3H]-alprenolol


J Med Chem 31: 1972-7 (1988)


BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50029051
PNG
((-)-arterenol | (-)-noradrenaline | (-)-norepineph...)
Show SMILES NC[C@H](O)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
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400n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against beta-1 adrenergic receptor in guinea pig cerebral cortical membranes by displacement of Dihydro-[3H]-alprenolol


J Med Chem 31: 1972-7 (1988)


BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM25392
PNG
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
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670n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of binding of [3H]-dihydroalprenolol from beta-1 adrenergic receptor of rat cerebral cortical membranes


J Med Chem 34: 1063-8 (1991)


BindingDB Entry DOI: 10.7270/Q2765D9R
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50019057
PNG
((+/-)4-Fluoro-5-(1-hydroxy-2-methylamino-ethyl)-be...)
Show SMILES CNCC(O)c1cc(O)c(O)cc1F
Show InChI InChI=1S/C9H12FNO3/c1-11-4-9(14)5-2-7(12)8(13)3-6(5)10/h2-3,9,11-14H,4H2,1H3
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700n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against beta-1 adrenergic receptor in guinea pig cerebral cortical membranes by displacement of Dihydro-[3H]-alprenolol


J Med Chem 31: 1972-7 (1988)


BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50019060
PNG
((+/-)4-(2-Amino-1-hydroxy-ethyl)-3-fluoro-benzene-...)
Show SMILES NCC(O)c1ccc(O)c(O)c1F
Show InChI InChI=1S/C8H10FNO3/c9-7-4(6(12)3-10)1-2-5(11)8(7)13/h1-2,6,11-13H,3,10H2
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700n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL




J Med Chem 31: 1972-7 (1988)


BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50029051
PNG
((-)-arterenol | (-)-noradrenaline | (-)-norepineph...)
Show SMILES NC[C@H](O)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
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1.50E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in guinea pig cerebral cortical membranes by displacement of [3H]- WB-4101


J Med Chem 31: 1972-7 (1988)


BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50019061
PNG
((+/-)4-(2-Amino-1-hydroxy-ethyl)-5-fluoro-benzene-...)
Show SMILES NCC(O)c1cc(O)c(O)cc1F
Show InChI InChI=1S/C8H10FNO3/c9-5-2-7(12)6(11)1-4(5)8(13)3-10/h1-2,8,11-13H,3,10H2
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1.50E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in guinea pig cerebral cortical membranes by displacement of [3H]- WB-4101


J Med Chem 31: 1972-7 (1988)


BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50019059
PNG
((+/-)3-Fluoro-4-(1-hydroxy-2-methylamino-ethyl)-be...)
Show SMILES CNCC(O)c1ccc(O)c(O)c1F
Show InChI InChI=1S/C9H12FNO3/c1-11-4-7(13)5-2-3-6(12)9(14)8(5)10/h2-3,7,11-14H,4H2,1H3
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1.80E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against beta-1 adrenergic receptor in guinea pig cerebral cortical membranes by displacement of Dihydro-[3H]-alprenolol


J Med Chem 31: 1972-7 (1988)


BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50029050
PNG
((-)-(R)-epinephrine | (-)-3,4-dihydroxy-alpha-((me...)
Show SMILES CNC[C@H](O)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1
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2.00E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in guinea pig cerebral cortical membranes by displacement of [3H]- WB-4101


J Med Chem 31: 1972-7 (1988)


BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50019061
PNG
((+/-)4-(2-Amino-1-hydroxy-ethyl)-5-fluoro-benzene-...)
Show SMILES NCC(O)c1cc(O)c(O)cc1F
Show InChI InChI=1S/C8H10FNO3/c9-5-2-7(12)6(11)1-4(5)8(13)3-10/h1-2,8,11-13H,3,10H2
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>3.00E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL




J Med Chem 31: 1972-7 (1988)


BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50029050
PNG
((-)-(R)-epinephrine | (-)-3,4-dihydroxy-alpha-((me...)
Show SMILES CNC[C@H](O)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1
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3.00E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against beta-1 adrenergic receptor in guinea pig cerebral cortical membranes by displacement of Dihydro-[3H]-alprenolol


J Med Chem 31: 1972-7 (1988)


BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50019059
PNG
((+/-)3-Fluoro-4-(1-hydroxy-2-methylamino-ethyl)-be...)
Show SMILES CNCC(O)c1ccc(O)c(O)c1F
Show InChI InChI=1S/C9H12FNO3/c1-11-4-7(13)5-2-3-6(12)9(14)8(5)10/h2-3,7,11-14H,4H2,1H3
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1.65E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in guinea pig cerebral cortical membranes by displacement of [3H]- WB-4101


J Med Chem 31: 1972-7 (1988)


BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50019060
PNG
((+/-)4-(2-Amino-1-hydroxy-ethyl)-3-fluoro-benzene-...)
Show SMILES NCC(O)c1ccc(O)c(O)c1F
Show InChI InChI=1S/C8H10FNO3/c9-7-4(6(12)3-10)1-2-5(11)8(7)13/h1-2,6,11-13H,3,10H2
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>5.00E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL




J Med Chem 31: 1972-7 (1988)


BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50019057
PNG
((+/-)4-Fluoro-5-(1-hydroxy-2-methylamino-ethyl)-be...)
Show SMILES CNCC(O)c1cc(O)c(O)cc1F
Show InChI InChI=1S/C9H12FNO3/c1-11-4-9(14)5-2-7(12)8(13)3-6(5)10/h2-3,9,11-14H,4H2,1H3
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6.30E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL




J Med Chem 31: 1972-7 (1988)


BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50007478
PNG
(4-(3-tert-Butylamino-2-hydroxy-propoxy)-5-fluoro-b...)
Show SMILES CC(C)(C)NCC(O)COc1cc(O)c(O)cc1F
Show InChI InChI=1S/C13H20FNO4/c1-13(2,3)15-6-8(16)7-19-12-5-11(18)10(17)4-9(12)14/h4-5,8,15-18H,6-7H2,1-3H3
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8.70E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of binding of [3H]-dihydroalprenolol from beta-1 adrenergic receptor of rat cerebral cortical membranes


J Med Chem 34: 1063-8 (1991)


BindingDB Entry DOI: 10.7270/Q2765D9R
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50022536
PNG
(CHEMBL15228)
Show SMILES Cl.Oc1ccc(Cc2ncc[nH]2)cc1O
Show InChI InChI=1S/C11H11N3O/c12-13-11(15)9-3-5-10(6-4-9)14-7-1-2-8-14/h1-8H,12H2,(H,13,15)
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n/an/a 1.62E+5n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL




J Med Chem 33: 1138-44 (1990)


BindingDB Entry DOI: 10.7270/Q2ZC853J
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50022536
PNG
(CHEMBL15228)
Show SMILES Cl.Oc1ccc(Cc2ncc[nH]2)cc1O
Show InChI InChI=1S/C11H11N3O/c12-13-11(15)9-3-5-10(6-4-9)14-7-1-2-8-14/h1-8H,12H2,(H,13,15)
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n/an/a 3.47E+5n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL




J Med Chem 33: 1138-44 (1990)


BindingDB Entry DOI: 10.7270/Q2ZC853J
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50022536
PNG
(CHEMBL15228)
Show SMILES Cl.Oc1ccc(Cc2ncc[nH]2)cc1O
Show InChI InChI=1S/C11H11N3O/c12-13-11(15)9-3-5-10(6-4-9)14-7-1-2-8-14/h1-8H,12H2,(H,13,15)
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n/an/a 6.61E+5n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL




J Med Chem 33: 1138-44 (1990)


BindingDB Entry DOI: 10.7270/Q2ZC853J
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50022536
PNG
(CHEMBL15228)
Show SMILES Cl.Oc1ccc(Cc2ncc[nH]2)cc1O
Show InChI InChI=1S/C11H11N3O/c12-13-11(15)9-3-5-10(6-4-9)14-7-1-2-8-14/h1-8H,12H2,(H,13,15)
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n/an/a 8.13E+5n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL




J Med Chem 33: 1138-44 (1990)


BindingDB Entry DOI: 10.7270/Q2ZC853J
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50022536
PNG
(CHEMBL15228)
Show SMILES Cl.Oc1ccc(Cc2ncc[nH]2)cc1O
Show InChI InChI=1S/C11H11N3O/c12-13-11(15)9-3-5-10(6-4-9)14-7-1-2-8-14/h1-8H,12H2,(H,13,15)
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n/an/a 1.55E+6n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL




J Med Chem 33: 1138-44 (1990)


BindingDB Entry DOI: 10.7270/Q2ZC853J
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50022596
PNG
(CHEMBL14837)
Show SMILES Cl.OC(c1ncc[nH]1)c1ccc(O)c(O)c1
Show InChI InChI=1S/C34H53N5O6/c1-22(2)16-29(40)30(41)26(17-23-12-8-6-9-13-23)37-32(43)28(19-25-20-35-21-36-25)38-31(42)27(18-24-14-10-7-11-15-24)39-33(44)45-34(3,4)5/h7,10-11,14-15,20-23,26-30,40-41H,6,8-9,12-13,16-19H2,1-5H3,(H,35,36)(H,37,43)(H,38,42)(H,39,44)/t26-,27?,28?,29?,30+/m0/s1
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n/an/a 2.29E+12n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL




J Med Chem 33: 1138-44 (1990)


BindingDB Entry DOI: 10.7270/Q2ZC853J
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50022537
PNG
(CHEMBL14508)
Show SMILES Cl.Oc1cc(F)c(CC2=NCCN2)cc1O |t:7|
Show InChI InChI=1S/C11H11N3O/c12-13-11(15)9-4-3-5-10(8-9)14-6-1-2-7-14/h1-8H,12H2,(H,13,15)
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n/an/a 3.63E+13n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL




J Med Chem 33: 1138-44 (1990)


BindingDB Entry DOI: 10.7270/Q2ZC853J
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50022538
PNG
(CHEMBL14651)
Show SMILES Cl.Oc1cc(CC2=NCCN2)cc(F)c1O |t:5|
Show InChI InChI=1S/C11H11N3O/c12-13-11(15)9-5-1-2-6-10(9)14-7-3-4-8-14/h1-8H,12H2,(H,13,15)
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n/an/a 5.50E+13n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL




J Med Chem 33: 1138-44 (1990)


BindingDB Entry DOI: 10.7270/Q2ZC853J
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50022539
PNG
(CHEMBL14982)
Show SMILES Cl.Oc1ccc(CC2=NCCN2)c(F)c1O |t:6|
Show InChI InChI=1S/C12H13N3O/c13-14-12(16)9-10-4-3-5-11(8-10)15-6-1-2-7-15/h1-8H,9,13H2,(H,14,16)
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n/an/a 6.46E+13n/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL




J Med Chem 33: 1138-44 (1990)


BindingDB Entry DOI: 10.7270/Q2ZC853J
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50029051
PNG
((-)-arterenol | (-)-noradrenaline | (-)-norepineph...)
Show SMILES NC[C@H](O)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
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n/an/an/an/a 350n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL




J Med Chem 31: 1972-7 (1988)


BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50019059
PNG
((+/-)3-Fluoro-4-(1-hydroxy-2-methylamino-ethyl)-be...)
Show SMILES CNCC(O)c1ccc(O)c(O)c1F
Show InChI InChI=1S/C9H12FNO3/c1-11-4-7(13)5-2-3-6(12)9(14)8(5)10/h2-3,7,11-14H,4H2,1H3
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n/an/an/an/a 40n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL




J Med Chem 31: 1972-7 (1988)


BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50029050
PNG
((-)-(R)-epinephrine | (-)-3,4-dihydroxy-alpha-((me...)
Show SMILES CNC[C@H](O)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1
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n/an/an/an/a 300n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL




J Med Chem 31: 1972-7 (1988)


BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50019059
PNG
((+/-)3-Fluoro-4-(1-hydroxy-2-methylamino-ethyl)-be...)
Show SMILES CNCC(O)c1ccc(O)c(O)c1F
Show InChI InChI=1S/C9H12FNO3/c1-11-4-7(13)5-2-3-6(12)9(14)8(5)10/h2-3,7,11-14H,4H2,1H3
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n/an/an/an/a>5.00E+3n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL




J Med Chem 31: 1972-7 (1988)


BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50019059
PNG
((+/-)3-Fluoro-4-(1-hydroxy-2-methylamino-ethyl)-be...)
Show SMILES CNCC(O)c1ccc(O)c(O)c1F
Show InChI InChI=1S/C9H12FNO3/c1-11-4-7(13)5-2-3-6(12)9(14)8(5)10/h2-3,7,11-14H,4H2,1H3
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n/an/an/an/a 3.30E+3n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL




J Med Chem 31: 1972-7 (1988)


BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50019057
PNG
((+/-)4-Fluoro-5-(1-hydroxy-2-methylamino-ethyl)-be...)
Show SMILES CNCC(O)c1cc(O)c(O)cc1F
Show InChI InChI=1S/C9H12FNO3/c1-11-4-9(14)5-2-7(12)8(13)3-6(5)10/h2-3,9,11-14H,4H2,1H3
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n/an/an/an/a>1.50E+3n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL




J Med Chem 31: 1972-7 (1988)


BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50019060
PNG
((+/-)4-(2-Amino-1-hydroxy-ethyl)-3-fluoro-benzene-...)
Show SMILES NCC(O)c1ccc(O)c(O)c1F
Show InChI InChI=1S/C8H10FNO3/c9-7-4(6(12)3-10)1-2-5(11)8(7)13/h1-2,6,11-13H,3,10H2
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n/an/an/an/a 300n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Agonistic potency at beta-1 adrenergic receptor for the percent maximal increase in contraction rate of isolated guinea pig atria


J Med Chem 31: 1972-7 (1988)


BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50029050
PNG
((-)-(R)-epinephrine | (-)-3,4-dihydroxy-alpha-((me...)
Show SMILES CNC[C@H](O)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1
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n/an/an/an/a 400n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Beta-1 adrenergic receptor agonist activity by stimulation of contraction rate of isolated guinea pig atrial preparations


J Med Chem 31: 1972-7 (1988)


BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50029050
PNG
((-)-(R)-epinephrine | (-)-3,4-dihydroxy-alpha-((me...)
Show SMILES CNC[C@H](O)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1
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n/an/an/an/a 230n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Agonistic potency at alpha-1 adrenergic receptor for the amine-induced increase of phosphatidylinositol breakdown in synaptoneurosomes from guinea pi...


J Med Chem 31: 1972-7 (1988)


BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50019057
PNG
((+/-)4-Fluoro-5-(1-hydroxy-2-methylamino-ethyl)-be...)
Show SMILES CNCC(O)c1cc(O)c(O)cc1F
Show InChI InChI=1S/C9H12FNO3/c1-11-4-9(14)5-2-7(12)8(13)3-6(5)10/h2-3,9,11-14H,4H2,1H3
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National Institute of Diabetes

Curated by ChEMBL


Assay Description
Agonistic potency at beta-1 adrenergic receptor for the percent maximal increase in contraction rate of isolated guinea pig atria


J Med Chem 31: 1972-7 (1988)


BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50019057
PNG
((+/-)4-Fluoro-5-(1-hydroxy-2-methylamino-ethyl)-be...)
Show SMILES CNCC(O)c1cc(O)c(O)cc1F
Show InChI InChI=1S/C9H12FNO3/c1-11-4-9(14)5-2-7(12)8(13)3-6(5)10/h2-3,9,11-14H,4H2,1H3
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n/an/an/an/a 800n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Agonistic potency at alpha-1 adrenergic receptor for the amine-induced increase of phosphatidylinositol breakdown in synaptoneurosomes from guinea pi...


J Med Chem 31: 1972-7 (1988)


BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50019061
PNG
((+/-)4-(2-Amino-1-hydroxy-ethyl)-5-fluoro-benzene-...)
Show SMILES NCC(O)c1cc(O)c(O)cc1F
Show InChI InChI=1S/C8H10FNO3/c9-5-2-7(12)6(11)1-4(5)8(13)3-10/h1-2,8,11-13H,3,10H2
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n/an/an/an/a 1.25E+5n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Agonistic potency at alpha-1 adrenergic receptor for the amine-induced increase of phosphatidylinositol breakdown in synaptoneurosomes from guinea pi...


J Med Chem 31: 1972-7 (1988)


BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50029050
PNG
((-)-(R)-epinephrine | (-)-3,4-dihydroxy-alpha-((me...)
Show SMILES CNC[C@H](O)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1
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n/an/an/an/a 260n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Agonistic potency at beta-1 adrenergic receptor for the percent maximal increase in contraction rate of isolated guinea pig atria


J Med Chem 31: 1972-7 (1988)


BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50019061
PNG
((+/-)4-(2-Amino-1-hydroxy-ethyl)-5-fluoro-benzene-...)
Show SMILES NCC(O)c1cc(O)c(O)cc1F
Show InChI InChI=1S/C8H10FNO3/c9-5-2-7(12)6(11)1-4(5)8(13)3-10/h1-2,8,11-13H,3,10H2
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n/an/an/an/a 3.60E+4n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Beta-1 adrenergic receptor agonist activity by stimulation of contraction rate of isolated guinea pig atrial preparations


J Med Chem 31: 1972-7 (1988)


BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50019060
PNG
((+/-)4-(2-Amino-1-hydroxy-ethyl)-3-fluoro-benzene-...)
Show SMILES NCC(O)c1ccc(O)c(O)c1F
Show InChI InChI=1S/C8H10FNO3/c9-7-4(6(12)3-10)1-2-5(11)8(7)13/h1-2,6,11-13H,3,10H2
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n/an/an/an/a 7.10E+4n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Agonistic potency at alpha-1 adrenergic receptor for the amine-induced increase of phosphatidylinositol breakdown in synaptoneurosomes from guinea pi...


J Med Chem 31: 1972-7 (1988)


BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50019057
PNG
((+/-)4-Fluoro-5-(1-hydroxy-2-methylamino-ethyl)-be...)
Show SMILES CNCC(O)c1cc(O)c(O)cc1F
Show InChI InChI=1S/C9H12FNO3/c1-11-4-9(14)5-2-7(12)8(13)3-6(5)10/h2-3,9,11-14H,4H2,1H3
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n/an/an/an/a>1.50E+3n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Agonistic potency at beta-1 adrenergic receptor for the percent maximal increase in contraction rate of isolated guinea pig atria


J Med Chem 31: 1972-7 (1988)


BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM25392
PNG
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
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n/an/an/an/a 7n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL




J Med Chem 34: 1063-8 (1991)


BindingDB Entry DOI: 10.7270/Q2765D9R
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50007476
PNG
(4-(3-tert-Butylamino-2-hydroxy-propoxy)-benzene-1,...)
Show SMILES CC(C)(C)NCC(O)COc1ccc(O)c(O)c1
Show InChI InChI=1S/C13H21NO4/c1-13(2,3)14-7-9(15)8-18-10-4-5-11(16)12(17)6-10/h4-6,9,14-17H,7-8H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 8.20n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL




J Med Chem 34: 1063-8 (1991)


BindingDB Entry DOI: 10.7270/Q2765D9R
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50007477
PNG
(4-(3-tert-Butylamino-2-hydroxy-propoxy)-3-fluoro-b...)
Show SMILES CC(C)(C)NCC(O)COc1ccc(O)c(O)c1F
Show InChI InChI=1S/C13H20FNO4/c1-13(2,3)15-6-8(16)7-19-10-5-4-9(17)12(18)11(10)14/h4-5,8,15-18H,6-7H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 9.20n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Activity was evaluated by measuring the inhibition of isolated hog H+/K+ ATPase


J Med Chem 34: 1063-8 (1991)


BindingDB Entry DOI: 10.7270/Q2765D9R
More data for this
Ligand-Target Pair
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