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Compile Data Set for Download or QSAR

Found 32 hits with Last Name = 'herbert' and Initial = 'b'   
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
Beta-2 adrenergic receptor


(Canis familiaris)
BDBM50087518
PNG
((R)4-(2-Amino-1-hydroxy-ethyl)-3-fluoro-benzene-1,...)
Show SMILES NC[C@H](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/t6-/m0/s1
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67n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding of [3H]-dihydroalprenolol to beta-2 adrenergic receptor of rat cerebral cortical membranes


J Med Chem 43: 1611-9 (2000)


BindingDB Entry DOI: 10.7270/Q25M64ZV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)
BDBM50087520
PNG
((R)3-Fluoro-4-(1-hydroxy-2-methylamino-ethyl)-benz...)
Show SMILES CNC[C@H](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/t7-/m0/s1
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110n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding of [3H]-dihydroalprenolol to beta-2 adrenergic receptor of rat cerebral cortical membranes


J Med Chem 43: 1611-9 (2000)


BindingDB Entry DOI: 10.7270/Q25M64ZV
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50087518
PNG
((R)4-(2-Amino-1-hydroxy-ethyl)-3-fluoro-benzene-1,...)
Show SMILES NC[C@H](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/t6-/m0/s1
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130n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding of [3H]-dihydroalprenolol to beta-1 adrenergic receptor of rat cerebral cortical membranes


J Med Chem 43: 1611-9 (2000)


BindingDB Entry DOI: 10.7270/Q25M64ZV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)
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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140n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding of [3H]-dihydroalprenolol to beta-2 adrenergic receptor of rat cerebral cortical membranes


J Med Chem 43: 1611-9 (2000)


BindingDB Entry DOI: 10.7270/Q25M64ZV
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
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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210n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding of [3H]-dihydroalprenolol to beta-1 adrenergic receptor of rat cerebral cortical membranes


J Med Chem 43: 1611-9 (2000)


BindingDB Entry DOI: 10.7270/Q25M64ZV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)
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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260n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding of [3H]-dihydroalprenolol to beta-2 adrenergic receptor of rat cerebral cortical membranes


J Med Chem 43: 1611-9 (2000)


BindingDB Entry DOI: 10.7270/Q25M64ZV
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50087520
PNG
((R)3-Fluoro-4-(1-hydroxy-2-methylamino-ethyl)-benz...)
Show SMILES CNC[C@H](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/t7-/m0/s1
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560n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding of [3H]-dihydroalprenolol to beta-1 adrenergic receptor of rat cerebral cortical membranes


J Med Chem 43: 1611-9 (2000)


BindingDB Entry DOI: 10.7270/Q25M64ZV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)
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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660n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding of [3H]-dihydroalprenolol to beta-2 adrenergic receptor of rat cerebral cortical membranes


J Med Chem 43: 1611-9 (2000)


BindingDB Entry DOI: 10.7270/Q25M64ZV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-1 adrenergic receptor


(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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1.10E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding of [3H]-dihydroalprenolol to beta-1 adrenergic receptor of rat cerebral cortical membranes


J Med Chem 43: 1611-9 (2000)


BindingDB Entry DOI: 10.7270/Q25M64ZV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-1 adrenergic receptor


(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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1.80E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding of [3H]-dihydroalprenolol to beta-1 adrenergic receptor of rat cerebral cortical membranes


J Med Chem 43: 1611-9 (2000)


BindingDB Entry DOI: 10.7270/Q25M64ZV
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
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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2.70E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding of [3H]-dihydroalprenolol to beta-1 adrenergic receptor of rat cerebral cortical membranes


J Med Chem 43: 1611-9 (2000)


BindingDB Entry DOI: 10.7270/Q25M64ZV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)
BDBM50087512
PNG
((+)-adrenaline | (S)-adrenaline | CHEMBL42280)
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-/m1/s1
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3.70E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding of [3H]-dihydroalprenolol to beta-2 adrenergic receptor of rat cerebral cortical membranes


J Med Chem 43: 1611-9 (2000)


BindingDB Entry DOI: 10.7270/Q25M64ZV
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding of [3H]-dihydroalprenolol to beta-1 adrenergic receptor of rat cerebral cortical membranes


J Med Chem 43: 1611-9 (2000)


BindingDB Entry DOI: 10.7270/Q25M64ZV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)
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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1.10E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding of [3H]-dihydroalprenolol to beta-2 adrenergic receptor of rat cerebral cortical membranes


J Med Chem 43: 1611-9 (2000)


BindingDB Entry DOI: 10.7270/Q25M64ZV
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50087512
PNG
((+)-adrenaline | (S)-adrenaline | CHEMBL42280)
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-/m1/s1
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1.30E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding of [3H]-dihydroalprenolol to beta-1 adrenergic receptor of rat cerebral cortical membranes


J Med Chem 43: 1611-9 (2000)


BindingDB Entry DOI: 10.7270/Q25M64ZV
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50087517
PNG
(4-(2-Amino-ethyl)-3-fluoro-benzene-1,2-diol | CHEM...)
Show SMILES NCCc1ccc(O)c(O)c1F
Show InChI InChI=1S/C8H10FNO2/c9-7-5(3-4-10)1-2-6(11)8(7)12/h1-2,11-12H,3-4,10H2
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1.90E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding of [3H]-dihydroalprenolol to beta-1 adrenergic receptor of rat cerebral cortical membranes


J Med Chem 43: 1611-9 (2000)


BindingDB Entry DOI: 10.7270/Q25M64ZV
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50087513
PNG
((R)4-(2-Amino-1-hydroxy-ethyl)-5-fluoro-benzene-1,...)
Show SMILES NC[C@H](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/t8-/m0/s1
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2.40E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding of [3H]-dihydroalprenolol to beta-1 adrenergic receptor of rat cerebral cortical membranes


J Med Chem 43: 1611-9 (2000)


BindingDB Entry DOI: 10.7270/Q25M64ZV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)
BDBM50087514
PNG
((S)3-Fluoro-4-(1-hydroxy-2-methylamino-ethyl)-benz...)
Show SMILES CNC[C@@H](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/t7-/m1/s1
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2.40E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding of [3H]-dihydroalprenolol to beta-2 adrenergic receptor of rat cerebral cortical membranes


J Med Chem 43: 1611-9 (2000)


BindingDB Entry DOI: 10.7270/Q25M64ZV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)
BDBM50087516
PNG
((S)4-(2-Amino-1-hydroxy-ethyl)-3-fluoro-benzene-1,...)
Show SMILES NC[C@@H](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/t6-/m1/s1
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2.70E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding of [3H]-dihydroalprenolol to beta-2 adrenergic receptor of rat cerebral cortical membranes


J Med Chem 43: 1611-9 (2000)


BindingDB Entry DOI: 10.7270/Q25M64ZV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)
BDBM50087513
PNG
((R)4-(2-Amino-1-hydroxy-ethyl)-5-fluoro-benzene-1,...)
Show SMILES NC[C@H](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/t8-/m0/s1
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2.80E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding of [3H]-dihydroalprenolol to beta-2 adrenergic receptor of rat cerebral cortical membranes


J Med Chem 43: 1611-9 (2000)


BindingDB Entry DOI: 10.7270/Q25M64ZV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)
BDBM50087515
PNG
((R)4-Fluoro-5-(1-hydroxy-2-methylamino-ethyl)-benz...)
Show SMILES CNC[C@H](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/t9-/m0/s1
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3.80E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding of [3H]-dihydroalprenolol to beta-2 adrenergic receptor of rat cerebral cortical membranes


J Med Chem 43: 1611-9 (2000)


BindingDB Entry DOI: 10.7270/Q25M64ZV
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50087510
PNG
(4-(2-Amino-ethyl)-5-fluoro-benzene-1,2-diol | CHEM...)
Show SMILES NCCc1cc(O)c(O)cc1F
Show InChI InChI=1S/C8H10FNO2/c9-6-4-8(12)7(11)3-5(6)1-2-10/h3-4,11-12H,1-2,10H2
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4.10E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding of [3H]-dihydroalprenolol to beta-1 adrenergic receptor of rat cerebral cortical membranes


J Med Chem 43: 1611-9 (2000)


BindingDB Entry DOI: 10.7270/Q25M64ZV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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5.00E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding of [3H]-dihydroalprenolol to beta-2 adrenergic receptor of rat cerebral cortical membranes


J Med Chem 43: 1611-9 (2000)


BindingDB Entry DOI: 10.7270/Q25M64ZV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)
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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5.00E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding of [3H]-dihydroalprenolol to beta-2 adrenergic receptor of rat cerebral cortical membranes


J Med Chem 43: 1611-9 (2000)


BindingDB Entry DOI: 10.7270/Q25M64ZV
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50087516
PNG
((S)4-(2-Amino-1-hydroxy-ethyl)-3-fluoro-benzene-1,...)
Show SMILES NC[C@@H](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/t6-/m1/s1
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5.20E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding of [3H]-dihydroalprenolol to beta-1 adrenergic receptor of rat cerebral cortical membranes


J Med Chem 43: 1611-9 (2000)


BindingDB Entry DOI: 10.7270/Q25M64ZV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)
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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5.80E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding of [3H]-dihydroalprenolol to beta-2 adrenergic receptor of rat cerebral cortical membranes


J Med Chem 43: 1611-9 (2000)


BindingDB Entry DOI: 10.7270/Q25M64ZV
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
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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6.30E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding of [3H]-dihydroalprenolol to beta-1 adrenergic receptor of rat cerebral cortical membranes


J Med Chem 43: 1611-9 (2000)


BindingDB Entry DOI: 10.7270/Q25M64ZV
More data for this
Ligand-Target Pair
Adenylate cyclase type 5


(Rattus norvegicus)
BDBM50140057
PNG
(2-Hydroxymethyl-5-(6-methylamino-purin-9-yl)-tetra...)
Show SMILES CC1OC(CC1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C10H13N5O2/c1-5-6(16)2-7(17-5)15-4-14-8-9(11)12-3-13-10(8)15/h3-7,16H,2H2,1H3,(H2,11,12,13)
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n/an/a 2.80E+3n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of adenylate cyclase from rat brain


J Med Chem 47: 1207-13 (2004)


Article DOI: 10.1021/jm0303599
BindingDB Entry DOI: 10.7270/Q2Q52QC7
More data for this
Ligand-Target Pair
Adenylate cyclase type 5


(Rattus norvegicus)
BDBM50370376
PNG
(CHEMBL1229920)
Show SMILES Nc1nc(F)nc2n(cnc12)[C@H]1C[C@H](O)[C@@H](CO)O1 |r|
Show InChI InChI=1S/C10H12FN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6+/m0/s1
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n/an/a 4.60E+3n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of adenylate cyclase from rat brain


J Med Chem 47: 1207-13 (2004)


Article DOI: 10.1021/jm0303599
BindingDB Entry DOI: 10.7270/Q2Q52QC7
More data for this
Ligand-Target Pair
Adenylate cyclase type 5


(Rattus norvegicus)
BDBM50025883
PNG
((2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-2-(hydroxymet...)
Show SMILES Nc1ncnc2n(cnc12)C1CC(O)C(CO)O1
Show InChI InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)
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n/an/a 1.50E+4n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of adenylate cyclase from rat brain


J Med Chem 47: 1207-13 (2004)


Article DOI: 10.1021/jm0303599
BindingDB Entry DOI: 10.7270/Q2Q52QC7
More data for this
Ligand-Target Pair
Adenylate cyclase type 5


(Rattus norvegicus)
BDBM50008363
PNG
(5-(6-Amino-2-fluoro-purin-9-yl)-2-hydroxymethyl-te...)
Show SMILES Nc1nc(F)nc2n(cnc12)C1CC(O)C(CO)O1
Show InChI InChI=1S/C10H12FN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of adenylate cyclase from rat brain


J Med Chem 47: 1207-13 (2004)


Article DOI: 10.1021/jm0303599
BindingDB Entry DOI: 10.7270/Q2Q52QC7
More data for this
Ligand-Target Pair
Adenylate cyclase type 5


(Rattus norvegicus)
BDBM14487
PNG
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of adenylate cyclase from rat brain


J Med Chem 47: 1207-13 (2004)


Article DOI: 10.1021/jm0303599
BindingDB Entry DOI: 10.7270/Q2Q52QC7
More data for this
Ligand-Target Pair