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PubMed code 1331453

Compile data set for download or QSAR
Found 75 hits of Enzyme Inhibition Constant Data   
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 A1 receptor


(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.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(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.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(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.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(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.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(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.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A2a receptor


(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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(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.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(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.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(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.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A2a receptor


(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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A2a receptor


(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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(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.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A2a receptor


(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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(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.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(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.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(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.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(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.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A2a receptor


(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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(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.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(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.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(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.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(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.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(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.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(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.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50001508
PNG
(7-Butyl-3-propyl-3,7-dihydro-purine-2,6-dione | CH...)
Show SMILES CCCCn1cnc2n(CCC)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C12H18N4O2/c1-3-5-7-15-8-13-10-9(15)11(17)14-12(18)16(10)6-4-2/h8H,3-7H2,1-2H3,(H,14,17,18)
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1.21E+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.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50001496
PNG
(7-Ethyl-1-methyl-3-propyl-3,7-dihydro-purine-2,6-d...)
Show SMILES CCCn1c2ncn(CC)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C11H16N4O2/c1-4-6-15-9-8(14(5-2)7-12-9)10(16)13(3)11(15)17/h7H,4-6H2,1-3H3
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1.42E+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.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50001497
PNG
(1,7-Dimethyl-3-propyl-3,7-dihydro-purine-2,6-dione...)
Show SMILES CCCn1c2ncn(C)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-4-5-14-8-7(12(2)6-11-8)9(15)13(3)10(14)16/h6H,4-5H2,1-3H3
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1.45E+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.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A2a receptor


(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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1.53E+4n/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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A2a receptor


(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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1.54E+4n/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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A2a receptor


(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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1.66E+4n/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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50001507
PNG
(3,7-Dipropyl-3,7-dihydro-purine-2,6-dione | CHEMBL...)
Show SMILES CCCn1cnc2n(CCC)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C11H16N4O2/c1-3-5-14-7-12-9-8(14)10(16)13-11(17)15(9)6-4-2/h7H,3-6H2,1-2H3,(H,13,16,17)
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1.82E+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.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A2a receptor


(GUINEA PIG)
BDBM50001497
PNG
(1,7-Dimethyl-3-propyl-3,7-dihydro-purine-2,6-dione...)
Show SMILES CCCn1c2ncn(C)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-4-5-14-8-7(12(2)6-11-8)9(15)13(3)10(14)16/h6H,4-5H2,1-3H3
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2.01E+4n/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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50001491
PNG
(3-Butyl-3,7-dihydro-purine-2,6-dione | CHEMBL33484...)
Show SMILES CCCCn1c2nc[nH]c2c(=O)[nH]c1=O
Show InChI InChI=1S/C9H12N4O2/c1-2-3-4-13-7-6(10-5-11-7)8(14)12-9(13)15/h5H,2-4H2,1H3,(H,10,11)(H,12,14,15)
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2.14E+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.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A2a receptor


(GUINEA PIG)
BDBM50001496
PNG
(7-Ethyl-1-methyl-3-propyl-3,7-dihydro-purine-2,6-d...)
Show SMILES CCCn1c2ncn(CC)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C11H16N4O2/c1-4-6-15-9-8(14(5-2)7-12-9)10(16)13(3)11(15)17/h7H,4-6H2,1-3H3
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2.15E+4n/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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A2a receptor


(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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2.34E+4n/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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A2a receptor


(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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2.54E+4n/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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A2a receptor


(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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3.40E+4n/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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50001492
PNG
(7-Ethyl-3-propyl-3,7-dihydro-purine-2,6-dione | CH...)
Show SMILES CCCn1c2ncn(CC)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C10H14N4O2/c1-3-5-14-8-7(9(15)12-10(14)16)13(4-2)6-11-8/h6H,3-5H2,1-2H3,(H,12,15,16)
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4.04E+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.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A2a receptor


(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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4.38E+4n/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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50001493
PNG
(3-Propyl-3,7-dihydro-purine-2,6-dione | 3-Propyl-3...)
Show SMILES CCCn1c2nc[nH]c2c(=O)[nH]c1=O
Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)
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6.07E+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.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A2a receptor


(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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6.71E+4n/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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A2a receptor


(GUINEA PIG)
BDBM50001493
PNG
(3-Propyl-3,7-dihydro-purine-2,6-dione | 3-Propyl-3...)
Show SMILES CCCn1c2nc[nH]c2c(=O)[nH]c1=O
Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)
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9.06E+4n/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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50001506
PNG
(7-Methyl-3-propyl-3,7-dihydro-purine-2,6-dione | C...)
Show SMILES CCCn1c2ncn(C)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C9H12N4O2/c1-3-4-13-7-6(12(2)5-10-7)8(14)11-9(13)15/h5H,3-4H2,1-2H3,(H,11,14,15)
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9.06E+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.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50001502
PNG
(3-Ethyl-3,7-dihydro-purine-2,6-dione | CHEMBL13118...)
Show SMILES CCn1c2nc[nH]c2c(=O)[nH]c1=O
Show InChI InChI=1S/C7H8N4O2/c1-2-11-5-4(8-3-9-5)6(12)10-7(11)13/h3H,2H2,1H3,(H,8,9)(H,10,12,13)
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1.17E+5n/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.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM82009
PNG
(CAS_1188 | CHEMBL1424 | NSC_1188 | Xanthine)
Show SMILES O=c1[nH]c2nc[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)
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>2.00E+5n/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.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
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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n/an/an/an/a 5.00E+3n/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Relexant activity on the spontaneous tone of isolated guinea pig tracheal ring chains.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50001493
PNG
(3-Propyl-3,7-dihydro-purine-2,6-dione | 3-Propyl-3...)
Show SMILES CCCn1c2nc[nH]c2c(=O)[nH]c1=O
Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)
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n/an/an/an/a 7.20E+3n/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Relexant activity on the spontaneous tone of isolated guinea pig tracheal ring chains.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50001491
PNG
(3-Butyl-3,7-dihydro-purine-2,6-dione | CHEMBL33484...)
Show SMILES CCCCn1c2nc[nH]c2c(=O)[nH]c1=O
Show InChI InChI=1S/C9H12N4O2/c1-2-3-4-13-7-6(10-5-11-7)8(14)12-9(13)15/h5H,2-4H2,1H3,(H,10,11)(H,12,14,15)
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n/an/an/an/a 8.30E+3n/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Relexant activity on the spontaneous tone of isolated guinea pig tracheal ring chains.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50001507
PNG
(3,7-Dipropyl-3,7-dihydro-purine-2,6-dione | CHEMBL...)
Show SMILES CCCn1cnc2n(CCC)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C11H16N4O2/c1-3-5-14-7-12-9-8(14)10(16)13-11(17)15(9)6-4-2/h7H,3-6H2,1-2H3,(H,13,16,17)
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n/an/an/an/a 1.55E+4n/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Relexant activity on the spontaneous tone of isolated guinea pig tracheal ring chains.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
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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n/an/an/an/a 1.40E+3n/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Relexant activity on the spontaneous tone of isolated guinea pig tracheal ring chains.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
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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n/an/an/an/a 6.20E+4n/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Relexant activity on the spontaneous tone of isolated guinea pig tracheal ring chains.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(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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n/an/an/an/a 1.60E+3n/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Relexant activity on the spontaneous tone of isolated guinea pig tracheal ring chains.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
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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n/an/an/an/a 9.62E+4n/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Relexant activity on the spontaneous tone of isolated guinea pig tracheal ring chains.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
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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n/an/an/an/a 9.60E+3n/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Relexant activity on the spontaneous tone of isolated guinea pig tracheal ring chains.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
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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n/an/an/an/a 7.59E+4n/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Relexant activity on the spontaneous tone of isolated guinea pig tracheal ring chains.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM82009
PNG
(CAS_1188 | CHEMBL1424 | NSC_1188 | Xanthine)
Show SMILES O=c1[nH]c2nc[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Relexant activity on the spontaneous tone of isolated guinea pig tracheal ring chains.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
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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n/an/an/an/a 7.60E+3n/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Relexant activity on the spontaneous tone of isolated guinea pig tracheal ring chains.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50001508
PNG
(7-Butyl-3-propyl-3,7-dihydro-purine-2,6-dione | CH...)
Show SMILES CCCCn1cnc2n(CCC)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C12H18N4O2/c1-3-5-7-15-8-13-10-9(15)11(17)14-12(18)16(10)6-4-2/h8H,3-7H2,1-2H3,(H,14,17,18)
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n/an/an/an/a 1.38E+4n/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Relexant activity on the spontaneous tone of isolated guinea pig tracheal ring chains.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50001502
PNG
(3-Ethyl-3,7-dihydro-purine-2,6-dione | CHEMBL13118...)
Show SMILES CCn1c2nc[nH]c2c(=O)[nH]c1=O
Show InChI InChI=1S/C7H8N4O2/c1-2-11-5-4(8-3-9-5)6(12)10-7(11)13/h3H,2H2,1H3,(H,8,9)(H,10,12,13)
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n/an/an/an/a 6.92E+4n/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Relexant activity on the spontaneous tone of isolated guinea pig tracheal ring chains.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50001515
PNG
(1-Methylxanthine (1-Mx) | 3-Methyl-3,7-dihydro-pur...)
Show SMILES Cn1c2nc[nH]c2c(=O)[nH]c1=O
Show InChI InChI=1S/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Relexant activity on the spontaneous tone of isolated guinea pig tracheal ring chains.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50001492
PNG
(7-Ethyl-3-propyl-3,7-dihydro-purine-2,6-dione | CH...)
Show SMILES CCCn1c2ncn(CC)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C10H14N4O2/c1-3-5-14-8-7(9(15)12-10(14)16)13(4-2)6-11-8/h6H,3-5H2,1-2H3,(H,12,15,16)
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n/an/an/an/a 8.30E+3n/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Relexant activity on the spontaneous tone of isolated guinea pig tracheal ring chains.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
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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n/an/an/an/a 4.34E+4n/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Relexant activity on the spontaneous tone of isolated guinea pig tracheal ring chains.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50001496
PNG
(7-Ethyl-1-methyl-3-propyl-3,7-dihydro-purine-2,6-d...)
Show SMILES CCCn1c2ncn(CC)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C11H16N4O2/c1-4-6-15-9-8(14(5-2)7-12-9)10(16)13(3)11(15)17/h7H,4-6H2,1-3H3
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n/an/an/an/a 5.90E+3n/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Relexant activity on the spontaneous tone of isolated guinea pig tracheal ring chains.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
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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n/an/an/an/a 30n/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Relexant activity on the spontaneous tone of isolated guinea pig tracheal ring chains.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
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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n/an/an/an/a 3.10E+3n/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Relexant activity on the spontaneous tone of isolated guinea pig tracheal ring chains.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(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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n/an/an/an/a 1.30E+3n/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Relexant activity on the spontaneous tone of isolated guinea pig tracheal ring chains.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
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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n/an/an/an/a 2.82E+4n/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Relexant activity on the spontaneous tone of isolated guinea pig tracheal ring chains.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50001506
PNG
(7-Methyl-3-propyl-3,7-dihydro-purine-2,6-dione | C...)
Show SMILES CCCn1c2ncn(C)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C9H12N4O2/c1-3-4-13-7-6(12(2)5-10-7)8(14)11-9(13)15/h5H,3-4H2,1-2H3,(H,11,14,15)
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n/an/an/an/a 2.75E+4n/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Relexant activity on the spontaneous tone of isolated guinea pig tracheal ring chains.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
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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n/an/an/an/a 7.60E+3n/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Relexant activity on the spontaneous tone of isolated guinea pig tracheal ring chains.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(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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n/an/an/an/a 50n/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Relexant activity on the spontaneous tone of isolated guinea pig tracheal ring chains.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
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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n/an/an/an/a 4.70E+3n/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Relexant activity on the spontaneous tone of isolated guinea pig tracheal ring chains.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
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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n/an/an/an/a 600n/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Relexant activity on the spontaneous tone of isolated guinea pig tracheal ring chains.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(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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n/an/an/an/a 1.30E+3n/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Relexant activity on the spontaneous tone of isolated guinea pig tracheal ring chains.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
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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PC sid
UniChem

Patents


Similars

PubMed
n/an/an/an/a 1.52E+4n/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Relexant activity on the spontaneous tone of isolated guinea pig tracheal ring chains.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50001497
PNG
(1,7-Dimethyl-3-propyl-3,7-dihydro-purine-2,6-dione...)
Show SMILES CCCn1c2ncn(C)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-4-5-14-8-7(12(2)6-11-8)9(15)13(3)10(14)16/h6H,4-5H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/an/an/a 1.06E+4n/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Relexant activity on the spontaneous tone of isolated guinea pig tracheal ring chains.


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%