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Compile Data Set for Download or QSAR

Found 351 hits with Last Name = 'takagi' and Initial = 'k'   
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
Adenosine receptor A1


(GUINEA PIG)
BDBM50001516
PNG
(1-Butyl-3-propyl-3,7-dihydro-purine-2,6-dione | CH...)
Show SMILES CCCCn1c(=O)n(CCC)c2nc[nH]c2c1=O
Show InChI InChI=1S/C12H18N4O2/c1-3-5-7-16-11(17)9-10(14-8-13-9)15(6-4-2)12(16)18/h8H,3-7H2,1-2H3,(H,13,14)
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20n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Affinity against adenosine A1 receptor in the brain membranes by the displacement of [3H]-CPX.


J Med Chem 35: 4039-44 (1992)


BindingDB Entry DOI: 10.7270/Q2CF9P23
More data for this
Ligand-Target Pair
Adenosine receptor A1


(GUINEA PIG)
BDBM50047255
PNG
(1-But-3-enyl-3-propyl-3,7-dihydro-purine-2,6-dione...)
Show SMILES CCCn1c2nc[nH]c2c(=O)n(CCC=C)c1=O
Show InChI InChI=1S/C12H16N4O2/c1-3-5-7-16-11(17)9-10(14-8-13-9)15(6-4-2)12(16)18/h3,8H,1,4-7H2,2H3,(H,13,14)
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60n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor of cerebral cortex using [3H]-CPX as a radioligand


J Med Chem 36: 1380-6 (1993)


BindingDB Entry DOI: 10.7270/Q23B5Z65
More data for this
Ligand-Target Pair
Adenosine receptor A1


(GUINEA PIG)
BDBM82032
PNG
(1,3-Dipropyl-3,7-dihydro-purine-2,6-dione | 1,3-Di...)
Show SMILES CCCn1c2nc[nH]c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C11H16N4O2/c1-3-5-14-9-8(12-7-13-9)10(16)15(6-4-2)11(14)17/h7H,3-6H2,1-2H3,(H,12,13)
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200n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Affinity against adenosine A1 receptor in the brain membranes by the displacement of [3H]-CPX.


J Med Chem 35: 4039-44 (1992)


BindingDB Entry DOI: 10.7270/Q2CF9P23
More data for this
Ligand-Target Pair
Adenosine receptor A1


(GUINEA PIG)
BDBM82032
PNG
(1,3-Dipropyl-3,7-dihydro-purine-2,6-dione | 1,3-Di...)
Show SMILES CCCn1c2nc[nH]c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C11H16N4O2/c1-3-5-14-9-8(12-7-13-9)10(16)15(6-4-2)11(14)17/h7H,3-6H2,1-2H3,(H,12,13)
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210n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor of cerebral cortex using [3H]-CPX as a radioligand


J Med Chem 36: 1380-6 (1993)


BindingDB Entry DOI: 10.7270/Q23B5Z65
More data for this
Ligand-Target Pair
Adenosine receptor A1


(GUINEA PIG)
BDBM50001513
PNG
(1-Ethyl-3-propyl-3,7-dihydro-purine-2,6-dione | CH...)
Show SMILES CCCn1c2nc[nH]c2c(=O)n(CC)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-3-5-14-8-7(11-6-12-8)9(15)13(4-2)10(14)16/h6H,3-5H2,1-2H3,(H,11,12)
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1.40E+3n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Affinity against adenosine A1 receptor in the brain membranes by the displacement of [3H]-CPX.


J Med Chem 35: 4039-44 (1992)


BindingDB Entry DOI: 10.7270/Q2CF9P23
More data for this
Ligand-Target Pair
Adenosine receptor A1


(GUINEA PIG)
BDBM50001513
PNG
(1-Ethyl-3-propyl-3,7-dihydro-purine-2,6-dione | CH...)
Show SMILES CCCn1c2nc[nH]c2c(=O)n(CC)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-3-5-14-8-7(11-6-12-8)9(15)13(4-2)10(14)16/h6H,3-5H2,1-2H3,(H,11,12)
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1.40E+3n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor of cerebral cortex using [3H]-CPX as a radioligand


J Med Chem 36: 1380-6 (1993)


BindingDB Entry DOI: 10.7270/Q23B5Z65
More data for this
Ligand-Target Pair
Adenosine receptor A1


(GUINEA PIG)
BDBM50047224
PNG
(1-Allyl-3-propyl-3,7-dihydro-purine-2,6-dione | CH...)
Show SMILES CCCn1c2nc[nH]c2c(=O)n(CC=C)c1=O
Show InChI InChI=1S/C11H14N4O2/c1-3-5-14-9-8(12-7-13-9)10(16)15(6-4-2)11(14)17/h4,7H,2-3,5-6H2,1H3,(H,12,13)
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1.70E+3n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor of cerebral cortex using [3H]-CPX as a radioligand


J Med Chem 36: 1380-6 (1993)


BindingDB Entry DOI: 10.7270/Q23B5Z65
More data for this
Ligand-Target Pair
Adenosine receptor A1


(GUINEA PIG)
BDBM50047231
PNG
(1-(2-Ethoxy-ethyl)-3-propyl-3,7-dihydro-purine-2,6...)
Show SMILES CCCn1c2nc[nH]c2c(=O)n(CCOCC)c1=O
Show InChI InChI=1S/C12H18N4O3/c1-3-5-15-10-9(13-8-14-10)11(17)16(12(15)18)6-7-19-4-2/h8H,3-7H2,1-2H3,(H,13,14)
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1.90E+3n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor of cerebral cortex using [3H]-CPX as a radioligand


J Med Chem 36: 1380-6 (1993)


BindingDB Entry DOI: 10.7270/Q23B5Z65
More data for this
Ligand-Target Pair
Adenosine receptor A1


(GUINEA PIG)
BDBM50001509
PNG
(1-Methyl-3-propyl-3,7-dihydro-purine-2,6-dione | C...)
Show SMILES CCCn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C9H12N4O2/c1-3-4-13-7-6(10-5-11-7)8(14)12(2)9(13)15/h5H,3-4H2,1-2H3,(H,10,11)
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1.90E+3n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor of cerebral cortex using [3H]-CPX as a radioligand


J Med Chem 36: 1380-6 (1993)


BindingDB Entry DOI: 10.7270/Q23B5Z65
More data for this
Ligand-Target Pair
Adenosine receptor A1


(GUINEA PIG)
BDBM50001511
PNG
(3-Butyl-1-methyl-3,7-dihydro-purine-2,6-dione | CH...)
Show SMILES CCCCn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-3-4-5-14-8-7(11-6-12-8)9(15)13(2)10(14)16/h6H,3-5H2,1-2H3,(H,11,12)
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1.90E+3n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Affinity against adenosine A1 receptor in the brain membranes by the displacement of [3H]-CPX.


J Med Chem 35: 4039-44 (1992)


BindingDB Entry DOI: 10.7270/Q2CF9P23
More data for this
Ligand-Target Pair
Adenosine receptor A1


(GUINEA PIG)
BDBM50001509
PNG
(1-Methyl-3-propyl-3,7-dihydro-purine-2,6-dione | C...)
Show SMILES CCCn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C9H12N4O2/c1-3-4-13-7-6(10-5-11-7)8(14)12(2)9(13)15/h5H,3-4H2,1-2H3,(H,10,11)
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1.90E+3n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Affinity against adenosine A1 receptor in the brain membranes by the displacement of [3H]-CPX.


J Med Chem 35: 4039-44 (1992)


BindingDB Entry DOI: 10.7270/Q2CF9P23
More data for this
Ligand-Target Pair
Adenosine receptor A1


(GUINEA PIG)
BDBM50047233
PNG
((2,6-Dioxo-3-propyl-2,3,6,7-tetrahydro-purin-1-yl)...)
Show SMILES CCCn1c2nc[nH]c2c(=O)n(CC#N)c1=O
Show InChI InChI=1S/C10H11N5O2/c1-2-4-14-8-7(12-6-13-8)9(16)15(5-3-11)10(14)17/h6H,2,4-5H2,1H3,(H,12,13)
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2.10E+3n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor of cerebral cortex using [3H]-CPX as a radioligand


J Med Chem 36: 1380-6 (1993)


BindingDB Entry DOI: 10.7270/Q23B5Z65
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))
BDBM82032
PNG
(1,3-Dipropyl-3,7-dihydro-purine-2,6-dione | 1,3-Di...)
Show SMILES CCCn1c2nc[nH]c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C11H16N4O2/c1-3-5-14-9-8(12-7-13-9)10(16)15(6-4-2)11(14)17/h7H,3-6H2,1-2H3,(H,12,13)
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2.40E+3n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor of striatal membrane using [3H]CGS-21680 as a radioligand


J Med Chem 36: 1380-6 (1993)


BindingDB Entry DOI: 10.7270/Q23B5Z65
More data for this
Ligand-Target Pair
Adenosine receptor A1


(GUINEA PIG)
BDBM50047239
PNG
(1-(2-Methoxy-ethyl)-3-propyl-3,7-dihydro-purine-2,...)
Show SMILES CCCn1c2nc[nH]c2c(=O)n(CCOC)c1=O
Show InChI InChI=1S/C11H16N4O3/c1-3-4-14-9-8(12-7-13-9)10(16)15(11(14)17)5-6-18-2/h7H,3-6H2,1-2H3,(H,12,13)
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2.50E+3n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor of cerebral cortex using [3H]-CPX as a radioligand


J Med Chem 36: 1380-6 (1993)


BindingDB Entry DOI: 10.7270/Q23B5Z65
More data for this
Ligand-Target Pair
Adenosine receptor A1


(GUINEA PIG)
BDBM50001498
PNG
(1-Butyl-3,7-dihydro-purine-2,6-dione | CHEMBL68278)
Show SMILES CCCCn1c(=O)[nH]c2nc[nH]c2c1=O
Show InChI InChI=1S/C9H12N4O2/c1-2-3-4-13-8(14)6-7(11-5-10-6)12-9(13)15/h5H,2-4H2,1H3,(H,10,11)(H,12,15)
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3.00E+3n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Affinity against adenosine A1 receptor in the brain membranes by the displacement of [3H]-CPX.


J Med Chem 35: 4039-44 (1992)


BindingDB Entry DOI: 10.7270/Q2CF9P23
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(GUINEA PIG)
BDBM82032
PNG
(1,3-Dipropyl-3,7-dihydro-purine-2,6-dione | 1,3-Di...)
Show SMILES CCCn1c2nc[nH]c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C11H16N4O2/c1-3-5-14-9-8(12-7-13-9)10(16)15(6-4-2)11(14)17/h7H,3-6H2,1-2H3,(H,12,13)
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3.00E+3n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Affinity against adenosine A2 receptor in the brain membranes measured by the displacement of [3H]-CPX


J Med Chem 35: 4039-44 (1992)


BindingDB Entry DOI: 10.7270/Q2CF9P23
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))
BDBM50047255
PNG
(1-But-3-enyl-3-propyl-3,7-dihydro-purine-2,6-dione...)
Show SMILES CCCn1c2nc[nH]c2c(=O)n(CCC=C)c1=O
Show InChI InChI=1S/C12H16N4O2/c1-3-5-7-16-11(17)9-10(14-8-13-9)15(6-4-2)12(16)18/h3,8H,1,4-7H2,2H3,(H,13,14)
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3.20E+3n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor of striatal membrane using [3H]CGS-21680 as a radioligand


J Med Chem 36: 1380-6 (1993)


BindingDB Entry DOI: 10.7270/Q23B5Z65
More data for this
Ligand-Target Pair
Adenosine receptor A1


(GUINEA PIG)
BDBM50001490
PNG
(1-Propyl-3,7-dihydro-purine-2,6-dione | CHEMBL3998...)
Show SMILES CCCn1c(=O)[nH]c2nc[nH]c2c1=O
Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-7(13)5-6(10-4-9-5)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,14)
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3.30E+3n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Affinity against adenosine A1 receptor in the brain membranes by the displacement of [3H]-CPX.


J Med Chem 35: 4039-44 (1992)


BindingDB Entry DOI: 10.7270/Q2CF9P23
More data for this
Ligand-Target Pair
Adenosine receptor A1


(GUINEA PIG)
BDBM50001489
PNG
(3-Methyl-1-propyl-3,7-dihydro-purine-2,6-dione | C...)
Show SMILES CCCn1c(=O)n(C)c2nc[nH]c2c1=O
Show InChI InChI=1S/C9H12N4O2/c1-3-4-13-8(14)6-7(11-5-10-6)12(2)9(13)15/h5H,3-4H2,1-2H3,(H,10,11)
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3.40E+3n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Affinity against adenosine A1 receptor in the brain membranes by the displacement of [3H]-CPX.


J Med Chem 35: 4039-44 (1992)


BindingDB Entry DOI: 10.7270/Q2CF9P23
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))
BDBM50001513
PNG
(1-Ethyl-3-propyl-3,7-dihydro-purine-2,6-dione | CH...)
Show SMILES CCCn1c2nc[nH]c2c(=O)n(CC)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-3-5-14-8-7(11-6-12-8)9(15)13(4-2)10(14)16/h6H,3-5H2,1-2H3,(H,11,12)
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3.90E+3n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor of striatal membrane using [3H]CGS-21680 as a radioligand


J Med Chem 36: 1380-6 (1993)


BindingDB Entry DOI: 10.7270/Q23B5Z65
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(GUINEA PIG)
BDBM50001513
PNG
(1-Ethyl-3-propyl-3,7-dihydro-purine-2,6-dione | CH...)
Show SMILES CCCn1c2nc[nH]c2c(=O)n(CC)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-3-5-14-8-7(11-6-12-8)9(15)13(4-2)10(14)16/h6H,3-5H2,1-2H3,(H,11,12)
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3.90E+3n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Affinity against adenosine A2 receptor in the brain membranes measured by the displacement of [3H]-CPX


J Med Chem 35: 4039-44 (1992)


BindingDB Entry DOI: 10.7270/Q2CF9P23
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(GUINEA PIG)
BDBM50001516
PNG
(1-Butyl-3-propyl-3,7-dihydro-purine-2,6-dione | CH...)
Show SMILES CCCCn1c(=O)n(CCC)c2nc[nH]c2c1=O
Show InChI InChI=1S/C12H18N4O2/c1-3-5-7-16-11(17)9-10(14-8-13-9)15(6-4-2)12(16)18/h8H,3-7H2,1-2H3,(H,13,14)
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4.10E+3n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Affinity against adenosine A2 receptor in the brain membranes measured by the displacement of [3H]-CPX


J Med Chem 35: 4039-44 (1992)


BindingDB Entry DOI: 10.7270/Q2CF9P23
More data for this
Ligand-Target Pair
Adenosine receptor A1


(GUINEA PIG)
BDBM50001494
PNG
(1-Butyl-3-methyl-3,7-dihydro-purine-2,6-dione | CH...)
Show SMILES CCCCn1c(=O)n(C)c2nc[nH]c2c1=O
Show InChI InChI=1S/C10H14N4O2/c1-3-4-5-14-9(15)7-8(12-6-11-7)13(2)10(14)16/h6H,3-5H2,1-2H3,(H,11,12)
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4.30E+3n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Affinity against adenosine A1 receptor in the brain membranes by the displacement of [3H]-CPX.


J Med Chem 35: 4039-44 (1992)


BindingDB Entry DOI: 10.7270/Q2CF9P23
More data for this
Ligand-Target Pair
Adenosine receptor A1


(GUINEA PIG)
BDBM50047246
PNG
(1-(2-Dimethylamino-ethyl)-3-propyl-3,7-dihydro-pur...)
Show SMILES CCCn1c2nc[nH]c2c(=O)n(CCN(C)C)c1=O
Show InChI InChI=1S/C12H19N5O2/c1-4-5-16-10-9(13-8-14-10)11(18)17(12(16)19)7-6-15(2)3/h8H,4-7H2,1-3H3,(H,13,14)
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4.30E+3n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor of cerebral cortex using [3H]-CPX as a radioligand


J Med Chem 36: 1380-6 (1993)


BindingDB Entry DOI: 10.7270/Q23B5Z65
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(GUINEA PIG)
BDBM50001511
PNG
(3-Butyl-1-methyl-3,7-dihydro-purine-2,6-dione | CH...)
Show SMILES CCCCn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-3-4-5-14-8-7(11-6-12-8)9(15)13(2)10(14)16/h6H,3-5H2,1-2H3,(H,11,12)
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4.80E+3n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Affinity against adenosine A2 receptor in the brain membranes measured by the displacement of [3H]-CPX


J Med Chem 35: 4039-44 (1992)


BindingDB Entry DOI: 10.7270/Q2CF9P23
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))
BDBM50047252
PNG
(7-But-3-enyl-1-methyl-3-propyl-3,7-dihydro-purine-...)
Show SMILES CCCn1c2ncn(CCC=C)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C13H18N4O2/c1-4-6-8-16-9-14-11-10(16)12(18)15(3)13(19)17(11)7-5-2/h4,9H,1,5-8H2,2-3H3
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5.60E+3n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor of striatal membrane using [3H]CGS-21680 as a radioligand


J Med Chem 36: 1380-6 (1993)


BindingDB Entry DOI: 10.7270/Q23B5Z65
More data for this
Ligand-Target Pair
Adenosine receptor A1


(GUINEA PIG)
BDBM50047252
PNG
(7-But-3-enyl-1-methyl-3-propyl-3,7-dihydro-purine-...)
Show SMILES CCCn1c2ncn(CCC=C)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C13H18N4O2/c1-4-6-8-16-9-14-11-10(16)12(18)15(3)13(19)17(11)7-5-2/h4,9H,1,5-8H2,2-3H3
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6.00E+3n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor of cerebral cortex using [3H]-CPX as a radioligand


J Med Chem 36: 1380-6 (1993)


BindingDB Entry DOI: 10.7270/Q23B5Z65
More data for this
Ligand-Target Pair
Adenosine receptor A1


(GUINEA PIG)
BDBM50001512
PNG
(1-Butyl-7-methyl-3-propyl-3,7-dihydro-purine-2,6-d...)
Show SMILES CCCCn1c(=O)n(CCC)c2ncn(C)c2c1=O
Show InChI InChI=1S/C13H20N4O2/c1-4-6-8-17-12(18)10-11(14-9-15(10)3)16(7-5-2)13(17)19/h9H,4-8H2,1-3H3
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6.00E+3n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Affinity against adenosine A1 receptor in the brain membranes by the displacement of [3H]-CPX.


J Med Chem 35: 4039-44 (1992)


BindingDB Entry DOI: 10.7270/Q2CF9P23
More data for this
Ligand-Target Pair
Adenosine receptor A1


(GUINEA PIG)
BDBM50047257
PNG
((1-Methyl-2,6-dioxo-3-propyl-1,2,3,6-tetrahydro-pu...)
Show SMILES CCCn1c2ncn(CC#N)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C11H13N5O2/c1-3-5-16-9-8(10(17)14(2)11(16)18)15(6-4-12)7-13-9/h7H,3,5-6H2,1-2H3
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6.60E+3n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor of cerebral cortex using [3H]-CPX as a radioligand


J Med Chem 36: 1380-6 (1993)


BindingDB Entry DOI: 10.7270/Q23B5Z65
More data for this
Ligand-Target Pair
Adenosine receptor A1


(GUINEA PIG)
BDBM50001501
PNG
(7-Butyl-1-methyl-3-propyl-3,7-dihydro-purine-2,6-d...)
Show SMILES CCCCn1cnc2n(CCC)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C13H20N4O2/c1-4-6-8-16-9-14-11-10(16)12(18)15(3)13(19)17(11)7-5-2/h9H,4-8H2,1-3H3
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7.30E+3n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Affinity against adenosine A1 receptor in the brain membranes by the displacement of [3H]-CPX.


J Med Chem 35: 4039-44 (1992)


BindingDB Entry DOI: 10.7270/Q2CF9P23
More data for this
Ligand-Target Pair
Adenosine receptor A1


(GUINEA PIG)
BDBM50001510
PNG
(3-Ethyl-1-methyl-3,7-dihydro-purine-2,6-dione | CH...)
Show SMILES CCn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C8H10N4O2/c1-3-12-6-5(9-4-10-6)7(13)11(2)8(12)14/h4H,3H2,1-2H3,(H,9,10)
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7.60E+3n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Affinity against adenosine A1 receptor in the brain membranes by the displacement of [3H]-CPX.


J Med Chem 35: 4039-44 (1992)


BindingDB Entry DOI: 10.7270/Q2CF9P23
More data for this
Ligand-Target Pair
Adenosine receptor A1


(GUINEA PIG)
BDBM50001500
PNG
(7-Methyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione...)
Show SMILES CCCn1c2ncn(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C12H18N4O2/c1-4-6-15-10-9(14(3)8-13-10)11(17)16(7-5-2)12(15)18/h8H,4-7H2,1-3H3
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7.70E+3n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Affinity against adenosine A1 receptor in the brain membranes by the displacement of [3H]-CPX.


J Med Chem 35: 4039-44 (1992)


BindingDB Entry DOI: 10.7270/Q2CF9P23
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(GUINEA PIG)
BDBM50001509
PNG
(1-Methyl-3-propyl-3,7-dihydro-purine-2,6-dione | C...)
Show SMILES CCCn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C9H12N4O2/c1-3-4-13-7-6(10-5-11-7)8(14)12(2)9(13)15/h5H,3-4H2,1-2H3,(H,10,11)
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8.00E+3n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Affinity against adenosine A2 receptor in the brain membranes measured by the displacement of [3H]-CPX


J Med Chem 35: 4039-44 (1992)


BindingDB Entry DOI: 10.7270/Q2CF9P23
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))
BDBM50001509
PNG
(1-Methyl-3-propyl-3,7-dihydro-purine-2,6-dione | C...)
Show SMILES CCCn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C9H12N4O2/c1-3-4-13-7-6(10-5-11-7)8(14)12(2)9(13)15/h5H,3-4H2,1-2H3,(H,10,11)
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8.00E+3n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor of striatal membrane using [3H]CGS-21680 as a radioligand


J Med Chem 36: 1380-6 (1993)


BindingDB Entry DOI: 10.7270/Q23B5Z65
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50047239
PNG
(1-(2-Methoxy-ethyl)-3-propyl-3,7-dihydro-purine-2,...)
Show SMILES CCCn1c2nc[nH]c2c(=O)n(CCOC)c1=O
Show InChI InChI=1S/C11H16N4O3/c1-3-4-14-9-8(12-7-13-9)10(16)15(11(14)17)5-6-18-2/h7H,3-6H2,1-2H3,(H,12,13)
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8.20E+3n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of cyclic AMP-phosphodiesterase ( PDE) in the supernatant of tracheal muscle homogenate


J Med Chem 36: 1380-6 (1993)


BindingDB Entry DOI: 10.7270/Q23B5Z65
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50047246
PNG
(1-(2-Dimethylamino-ethyl)-3-propyl-3,7-dihydro-pur...)
Show SMILES CCCn1c2nc[nH]c2c(=O)n(CCN(C)C)c1=O
Show InChI InChI=1S/C12H19N5O2/c1-4-5-16-10-9(13-8-14-10)11(18)17(12(16)19)7-6-15(2)3/h8H,4-7H2,1-3H3,(H,13,14)
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9.00E+3n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of cyclic AMP-phosphodiesterase ( PDE) in the supernatant of tracheal muscle homogenate


J Med Chem 36: 1380-6 (1993)


BindingDB Entry DOI: 10.7270/Q23B5Z65
More data for this
Ligand-Target Pair
Adenosine receptor A1


(GUINEA PIG)
BDBM50001499
PNG
(1-Methyl-3,7-dipropyl-3,7-dihydro-purine-2,6-dione...)
Show SMILES CCCn1cnc2n(CCC)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C12H18N4O2/c1-4-6-15-8-13-10-9(15)11(17)14(3)12(18)16(10)7-5-2/h8H,4-7H2,1-3H3
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9.40E+3n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor of cerebral cortex using [3H]-CPX as a radioligand


J Med Chem 36: 1380-6 (1993)


BindingDB Entry DOI: 10.7270/Q23B5Z65
More data for this
Ligand-Target Pair
Adenosine receptor A1


(GUINEA PIG)
BDBM50001499
PNG
(1-Methyl-3,7-dipropyl-3,7-dihydro-purine-2,6-dione...)
Show SMILES CCCn1cnc2n(CCC)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C12H18N4O2/c1-4-6-15-8-13-10-9(15)11(17)14(3)12(18)16(10)7-5-2/h8H,4-7H2,1-3H3
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9.40E+3n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Affinity against adenosine A1 receptor in the brain membranes by the displacement of [3H]-CPX.


J Med Chem 35: 4039-44 (1992)


BindingDB Entry DOI: 10.7270/Q2CF9P23
More data for this
Ligand-Target Pair
Adenosine receptor A1


(GUINEA PIG)
BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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9.80E+3n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Affinity against adenosine A1 receptor in the brain membranes by the displacement of [3H]-CPX.


J Med Chem 35: 4039-44 (1992)


BindingDB Entry DOI: 10.7270/Q2CF9P23
More data for this
Ligand-Target Pair
Adenosine receptor A1


(GUINEA PIG)
BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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9.80E+3n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor of cerebral cortex using [3H]-CPX as a radioligand


J Med Chem 36: 1380-6 (1993)


BindingDB Entry DOI: 10.7270/Q23B5Z65
More data for this
Ligand-Target Pair
Adenosine receptor A1


(GUINEA PIG)
BDBM50001514
PNG
(1-Ethyl-3-methyl-3,7-dihydro-purine-2,6-dione | CH...)
Show SMILES CCn1c(=O)n(C)c2nc[nH]c2c1=O
Show InChI InChI=1S/C8H10N4O2/c1-3-12-7(13)5-6(10-4-9-5)11(2)8(12)14/h4H,3H2,1-2H3,(H,9,10)
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9.80E+3n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Affinity against adenosine A1 receptor in the brain membranes by the displacement of [3H]-CPX.


J Med Chem 35: 4039-44 (1992)


BindingDB Entry DOI: 10.7270/Q2CF9P23
More data for this
Ligand-Target Pair
Adenosine receptor A1


(GUINEA PIG)
BDBM50001517
PNG
(1-Ethyl-3,7-dihydro-purine-2,6-dione | CHEMBL12716...)
Show SMILES CCn1c(=O)[nH]c2nc[nH]c2c1=O
Show InChI InChI=1S/C7H8N4O2/c1-2-11-6(12)4-5(9-3-8-4)10-7(11)13/h3H,2H2,1H3,(H,8,9)(H,10,13)
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9.80E+3n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Affinity against adenosine A1 receptor in the brain membranes by the displacement of [3H]-CPX.


J Med Chem 35: 4039-44 (1992)


BindingDB Entry DOI: 10.7270/Q2CF9P23
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50001511
PNG
(3-Butyl-1-methyl-3,7-dihydro-purine-2,6-dione | CH...)
Show SMILES CCCCn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-3-4-5-14-8-7(11-6-12-8)9(15)13(2)10(14)16/h6H,3-5H2,1-2H3,(H,11,12)
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1.02E+4n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibitory activity against c-AMP phosphodiesterase in guinea pig tracheal muscle.


J Med Chem 35: 4039-44 (1992)


BindingDB Entry DOI: 10.7270/Q2CF9P23
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50001509
PNG
(1-Methyl-3-propyl-3,7-dihydro-purine-2,6-dione | C...)
Show SMILES CCCn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C9H12N4O2/c1-3-4-13-7-6(10-5-11-7)8(14)12(2)9(13)15/h5H,3-4H2,1-2H3,(H,10,11)
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1.06E+4n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of c-AMP phosphodiesterase activity in guinea pig tracheal muscle


J Med Chem 35: 4039-44 (1992)


BindingDB Entry DOI: 10.7270/Q2CF9P23
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50001509
PNG
(1-Methyl-3-propyl-3,7-dihydro-purine-2,6-dione | C...)
Show SMILES CCCn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C9H12N4O2/c1-3-4-13-7-6(10-5-11-7)8(14)12(2)9(13)15/h5H,3-4H2,1-2H3,(H,10,11)
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1.06E+4n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of cyclic AMP-phosphodiesterase ( PDE) in the supernatant of tracheal muscle homogenate


J Med Chem 36: 1380-6 (1993)


BindingDB Entry DOI: 10.7270/Q23B5Z65
More data for this
Ligand-Target Pair
Adenosine receptor A1


(GUINEA PIG)
BDBM50047230
PNG
(1-(3-Oxo-butyl)-3-propyl-3,7-dihydro-purine-2,6-di...)
Show SMILES CCCn1c2nc[nH]c2c(=O)n(CCC(C)=O)c1=O
Show InChI InChI=1S/C12H16N4O3/c1-3-5-15-10-9(13-7-14-10)11(18)16(12(15)19)6-4-8(2)17/h7H,3-6H2,1-2H3,(H,13,14)
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1.12E+4n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor of cerebral cortex using [3H]-CPX as a radioligand


J Med Chem 36: 1380-6 (1993)


BindingDB Entry DOI: 10.7270/Q23B5Z65
More data for this
Ligand-Target Pair
Adenosine receptor A1


(GUINEA PIG)
BDBM50047226
PNG
(1-(2-Oxo-propyl)-3-propyl-3,7-dihydro-purine-2,6-d...)
Show SMILES CCCn1c2nc[nH]c2c(=O)n(CC(C)=O)c1=O
Show InChI InChI=1S/C11H14N4O3/c1-3-4-14-9-8(12-6-13-9)10(17)15(11(14)18)5-7(2)16/h6H,3-5H2,1-2H3,(H,12,13)
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1.14E+4n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor of cerebral cortex using [3H]-CPX as a radioligand


J Med Chem 36: 1380-6 (1993)


BindingDB Entry DOI: 10.7270/Q23B5Z65
More data for this
Ligand-Target Pair
Adenosine receptor A1


(GUINEA PIG)
BDBM82020
PNG
(1-Methyl-3,9-dihydro-purine-2,6-dione(1-methyl xan...)
Show SMILES Cn1c(=O)[nH]c2nc[nH]c2c1=O
Show InChI InChI=1S/C6H4N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3
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1.15E+4n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Affinity against adenosine A1 receptor in the brain membranes by the displacement of [3H]-CPX.


J Med Chem 35: 4039-44 (1992)


BindingDB Entry DOI: 10.7270/Q2CF9P23
More data for this
Ligand-Target Pair
Adenosine receptor A1


(GUINEA PIG)
BDBM50001503
PNG
(1-Ethyl-7-methyl-3-propyl-3,7-dihydro-purine-2,6-d...)
Show SMILES CCCn1c2ncn(C)c2c(=O)n(CC)c1=O
Show InChI InChI=1S/C11H16N4O2/c1-4-6-15-9-8(13(3)7-12-9)10(16)14(5-2)11(15)17/h7H,4-6H2,1-3H3
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1.18E+4n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Affinity against adenosine A1 receptor in the brain membranes by the displacement of [3H]-CPX.


J Med Chem 35: 4039-44 (1992)


BindingDB Entry DOI: 10.7270/Q2CF9P23
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))
BDBM50047224
PNG
(1-Allyl-3-propyl-3,7-dihydro-purine-2,6-dione | CH...)
Show SMILES CCCn1c2nc[nH]c2c(=O)n(CC=C)c1=O
Show InChI InChI=1S/C11H14N4O2/c1-3-5-14-9-8(12-7-13-9)10(16)15(6-4-2)11(14)17/h4,7H,2-3,5-6H2,1H3,(H,12,13)
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antibodypedia
antibodypedia
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1.18E+4n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor of striatal membrane using [3H]CGS-21680 as a radioligand


J Med Chem 36: 1380-6 (1993)


BindingDB Entry DOI: 10.7270/Q23B5Z65
More data for this
Ligand-Target Pair
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