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Compile Data Set for Download or QSAR

Found 254 hits with Last Name = 'sakai' and Initial = 'r'   
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
GRIK1


(Homo sapiens (Human))
BDBM85740
PNG
(Dysiherbaine)
Show SMILES CN[C@H]1[C@H]2O[C@](C[C@H](N)C(O)=O)(C[C@H]2OC[C@H]1O)C(O)=O
Show InChI InChI=1S/C12H20N2O7/c1-14-8-6(15)4-20-7-3-12(11(18)19,21-9(7)8)2-5(13)10(16)17/h5-9,14-15H,2-4,13H2,1H3,(H,16,17)(H,18,19)/t5-,6+,7+,8+,9-,12+/m0/s1
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0.740n/an/an/an/an/an/an/an/a



Yokohama City University

Curated by ChEMBL


Assay Description
Displacement of [3H]kianic acid from recombinant GluK1 kainate receptor (unknown origin) expressed in HEK293 cell membranes measured after 1 hr


Bioorg Med Chem Lett 26: 5164-5167 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.074
BindingDB Entry DOI: 10.7270/Q2ZG6V6F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor ionotropic, kainate 2


(Homo sapiens (Human))
BDBM85740
PNG
(Dysiherbaine)
Show SMILES CN[C@H]1[C@H]2O[C@](C[C@H](N)C(O)=O)(C[C@H]2OC[C@H]1O)C(O)=O
Show InChI InChI=1S/C12H20N2O7/c1-14-8-6(15)4-20-7-3-12(11(18)19,21-9(7)8)2-5(13)10(16)17/h5-9,14-15H,2-4,13H2,1H3,(H,16,17)(H,18,19)/t5-,6+,7+,8+,9-,12+/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Yokohama City University

Curated by ChEMBL


Assay Description
Displacement of [3H]kianic acid from recombinant GluK2 kainate receptor (unknown origin) expressed in HEK293 cell membranes measured after 1 hr


Bioorg Med Chem Lett 26: 5164-5167 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.074
BindingDB Entry DOI: 10.7270/Q2ZG6V6F
More data for this
Ligand-Target Pair
GRIA3


(RAT)
BDBM50252103
PNG
((2S,3S,4S)-2-CARBOXY-4-[(1Z,3E,5R)-5-CARBOXY-1-MET...)
Show SMILES C[C@H](\C=C\C=C(/C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b5-3+,8-4+/t9-,10+,11-,13+/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Kitasato University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 296: 650-8 (2001)


Article DOI: 10.1111/cbdd.12703
BindingDB Entry DOI: 10.7270/Q2M0440C
More data for this
Ligand-Target Pair
GRIA3


(RAT)
BDBM50002369
PNG
((2S-(2alpha,3beta,4beta))-2-carboxy-4-(1-methyleth...)
Show SMILES CC(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Kitasato University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 296: 650-8 (2001)


Article DOI: 10.1111/cbdd.12703
BindingDB Entry DOI: 10.7270/Q2M0440C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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.


J Med Chem 35: 4039-44 (1992)


Article DOI: 10.1021/jm00100a008
BindingDB Entry DOI: 10.7270/Q2CF9P23
More data for this
Ligand-Target Pair
GRIA3


(RAT)
BDBM85740
PNG
(Dysiherbaine)
Show SMILES CN[C@H]1[C@H]2O[C@](C[C@H](N)C(O)=O)(C[C@H]2OC[C@H]1O)C(O)=O
Show InChI InChI=1S/C12H20N2O7/c1-14-8-6(15)4-20-7-3-12(11(18)19,21-9(7)8)2-5(13)10(16)17/h5-9,14-15H,2-4,13H2,1H3,(H,16,17)(H,18,19)/t5-,6+,7+,8+,9-,12+/m0/s1
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26n/an/an/an/an/an/an/an/a



Kitasato University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 296: 650-8 (2001)


Article DOI: 10.1111/cbdd.12703
BindingDB Entry DOI: 10.7270/Q2M0440C
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(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)


Article DOI: 10.1021/jm00062a010
BindingDB Entry DOI: 10.7270/Q23B5Z65
More data for this
Ligand-Target Pair
GRIA3


(RAT)
BDBM17657
PNG
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)
Show SMILES N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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62n/an/an/an/an/an/an/an/a



Kitasato University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 296: 650-8 (2001)


Article DOI: 10.1111/cbdd.12703
BindingDB Entry DOI: 10.7270/Q2M0440C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GRIA3


(RAT)
BDBM17657
PNG
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)
Show SMILES N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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62n/an/an/an/an/an/an/an/a



Kitasato University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 296: 650-8 (2001)


Article DOI: 10.1111/cbdd.12703
BindingDB Entry DOI: 10.7270/Q2M0440C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GRIA3


(RAT)
BDBM17657
PNG
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)
Show SMILES N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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89n/an/an/an/an/an/an/an/a



Kitasato University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 296: 650-8 (2001)


Article DOI: 10.1111/cbdd.12703
BindingDB Entry DOI: 10.7270/Q2M0440C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GRIA3


(RAT)
BDBM85740
PNG
(Dysiherbaine)
Show SMILES CN[C@H]1[C@H]2O[C@](C[C@H](N)C(O)=O)(C[C@H]2OC[C@H]1O)C(O)=O
Show InChI InChI=1S/C12H20N2O7/c1-14-8-6(15)4-20-7-3-12(11(18)19,21-9(7)8)2-5(13)10(16)17/h5-9,14-15H,2-4,13H2,1H3,(H,16,17)(H,18,19)/t5-,6+,7+,8+,9-,12+/m0/s1
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153n/an/an/an/an/an/an/an/a



Kitasato University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 296: 650-8 (2001)


Article DOI: 10.1111/cbdd.12703
BindingDB Entry DOI: 10.7270/Q2M0440C
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.


J Med Chem 35: 4039-44 (1992)


Article DOI: 10.1021/jm00100a008
BindingDB Entry DOI: 10.7270/Q2CF9P23
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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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)


Article DOI: 10.1021/jm00062a010
BindingDB Entry DOI: 10.7270/Q23B5Z65
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50326197
PNG
(1,9-dimethyl-2,8-dioxo-2,3,8,9-tetrahydro-1H-purin...)
Show SMILES Cn1c2nc(=O)n(C)c(N)c2[nH]c1=O
Show InChI InChI=1S/C7H9N5O2/c1-11-4(8)3-5(10-7(11)14)12(2)6(13)9-3/h8H2,1-2H3,(H,9,13)
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497n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha1D receptor


J Med Chem 53: 6089-99 (2010)


Article DOI: 10.1021/jm100490m
BindingDB Entry DOI: 10.7270/Q2GX4BS7
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50326197
PNG
(1,9-dimethyl-2,8-dioxo-2,3,8,9-tetrahydro-1H-purin...)
Show SMILES Cn1c2nc(=O)n(C)c(N)c2[nH]c1=O
Show InChI InChI=1S/C7H9N5O2/c1-11-4(8)3-5(10-7(11)14)12(2)6(13)9-3/h8H2,1-2H3,(H,9,13)
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758n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha1B receptor


J Med Chem 53: 6089-99 (2010)


Article DOI: 10.1021/jm100490m
BindingDB Entry DOI: 10.7270/Q2GX4BS7
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50326197
PNG
(1,9-dimethyl-2,8-dioxo-2,3,8,9-tetrahydro-1H-purin...)
Show SMILES Cn1c2nc(=O)n(C)c(N)c2[nH]c1=O
Show InChI InChI=1S/C7H9N5O2/c1-11-4(8)3-5(10-7(11)14)12(2)6(13)9-3/h8H2,1-2H3,(H,9,13)
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885n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha1A receptor


J Med Chem 53: 6089-99 (2010)


Article DOI: 10.1021/jm100490m
BindingDB Entry DOI: 10.7270/Q2GX4BS7
More data for this
Ligand-Target Pair
GRIA3


(RAT)
BDBM50252103
PNG
((2S,3S,4S)-2-CARBOXY-4-[(1Z,3E,5R)-5-CARBOXY-1-MET...)
Show SMILES C[C@H](\C=C\C=C(/C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b5-3+,8-4+/t9-,10+,11-,13+/m1/s1
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927n/an/an/an/an/an/an/an/a



Kitasato University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 296: 650-8 (2001)


Article DOI: 10.1111/cbdd.12703
BindingDB Entry DOI: 10.7270/Q2M0440C
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.


J Med Chem 35: 4039-44 (1992)


Article DOI: 10.1021/jm00100a008
BindingDB Entry DOI: 10.7270/Q2CF9P23
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
Binding affinity against adenosine A1 receptor of cerebral cortex using [3H]-CPX as a radioligand


J Med Chem 36: 1380-6 (1993)


Article DOI: 10.1021/jm00062a010
BindingDB Entry DOI: 10.7270/Q23B5Z65
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(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)


Article DOI: 10.1021/jm00062a010
BindingDB Entry DOI: 10.7270/Q23B5Z65
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50326197
PNG
(1,9-dimethyl-2,8-dioxo-2,3,8,9-tetrahydro-1H-purin...)
Show SMILES Cn1c2nc(=O)n(C)c(N)c2[nH]c1=O
Show InChI InChI=1S/C7H9N5O2/c1-11-4(8)3-5(10-7(11)14)12(2)6(13)9-3/h8H2,1-2H3,(H,9,13)
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1.80E+3n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity to kappa opioid receptor


J Med Chem 53: 6089-99 (2010)


Article DOI: 10.1021/jm100490m
BindingDB Entry DOI: 10.7270/Q2GX4BS7
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.


J Med Chem 35: 4039-44 (1992)


Article DOI: 10.1021/jm00100a008
BindingDB Entry DOI: 10.7270/Q2CF9P23
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(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)


Article DOI: 10.1021/jm00062a010
BindingDB Entry DOI: 10.7270/Q23B5Z65
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.


J Med Chem 35: 4039-44 (1992)


Article DOI: 10.1021/jm00100a008
BindingDB Entry DOI: 10.7270/Q2CF9P23
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
Binding affinity against adenosine A1 receptor of cerebral cortex using [3H]-CPX as a radioligand


J Med Chem 36: 1380-6 (1993)


Article DOI: 10.1021/jm00062a010
BindingDB Entry DOI: 10.7270/Q23B5Z65
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(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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PubMed
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)


Article DOI: 10.1021/jm00062a010
BindingDB Entry DOI: 10.7270/Q23B5Z65
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(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)


Article DOI: 10.1021/jm00062a010
BindingDB Entry DOI: 10.7270/Q23B5Z65
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(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)


Article DOI: 10.1021/jm00062a010
BindingDB Entry DOI: 10.7270/Q23B5Z65
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50326197
PNG
(1,9-dimethyl-2,8-dioxo-2,3,8,9-tetrahydro-1H-purin...)
Show SMILES Cn1c2nc(=O)n(C)c(N)c2[nH]c1=O
Show InChI InChI=1S/C7H9N5O2/c1-11-4(8)3-5(10-7(11)14)12(2)6(13)9-3/h8H2,1-2H3,(H,9,13)
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2.90E+3n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1E receptor


J Med Chem 53: 6089-99 (2010)


Article DOI: 10.1021/jm100490m
BindingDB Entry DOI: 10.7270/Q2GX4BS7
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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PubMed
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)


Article DOI: 10.1021/jm00100a008
BindingDB Entry DOI: 10.7270/Q2CF9P23
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.


J Med Chem 35: 4039-44 (1992)


Article DOI: 10.1021/jm00100a008
BindingDB Entry DOI: 10.7270/Q2CF9P23
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(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)


Article DOI: 10.1021/jm00062a010
BindingDB Entry DOI: 10.7270/Q23B5Z65
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.


J Med Chem 35: 4039-44 (1992)


Article DOI: 10.1021/jm00100a008
BindingDB Entry DOI: 10.7270/Q2CF9P23
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.


J Med Chem 35: 4039-44 (1992)


Article DOI: 10.1021/jm00100a008
BindingDB Entry DOI: 10.7270/Q2CF9P23
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


J Med Chem 35: 4039-44 (1992)


Article DOI: 10.1021/jm00100a008
BindingDB Entry DOI: 10.7270/Q2CF9P23
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(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)


Article DOI: 10.1021/jm00062a010
BindingDB Entry DOI: 10.7270/Q23B5Z65
More data for this
Ligand-Target Pair
GRIA3


(RAT)
BDBM50002343
PNG
(2-Methylamino-succinic acid | CHEMBL275325 | NMDA)
Show SMILES CNC(CC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)
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3.90E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 296: 650-8 (2001)


Article DOI: 10.1111/cbdd.12703
BindingDB Entry DOI: 10.7270/Q2M0440C
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


J Med Chem 35: 4039-44 (1992)


Article DOI: 10.1021/jm00100a008
BindingDB Entry DOI: 10.7270/Q2CF9P23
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit


(Homo sapiens (Human))
BDBM50326197
PNG
(1,9-dimethyl-2,8-dioxo-2,3,8,9-tetrahydro-1H-purin...)
Show SMILES Cn1c2nc(=O)n(C)c(N)c2[nH]c1=O
Show InChI InChI=1S/C7H9N5O2/c1-11-4(8)3-5(10-7(11)14)12(2)6(13)9-3/h8H2,1-2H3,(H,9,13)
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4.20E+3n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity to nicotinic alpha3beta2 receptor receptor


J Med Chem 53: 6089-99 (2010)


Article DOI: 10.1021/jm100490m
BindingDB Entry DOI: 10.7270/Q2GX4BS7
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.


J Med Chem 35: 4039-44 (1992)


Article DOI: 10.1021/jm00100a008
BindingDB Entry DOI: 10.7270/Q2CF9P23
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(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)


Article DOI: 10.1021/jm00062a010
BindingDB Entry DOI: 10.7270/Q23B5Z65
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


J Med Chem 35: 4039-44 (1992)


Article DOI: 10.1021/jm00100a008
BindingDB Entry DOI: 10.7270/Q2CF9P23
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(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)


Article DOI: 10.1021/jm00062a010
BindingDB Entry DOI: 10.7270/Q23B5Z65
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.


J Med Chem 35: 4039-44 (1992)


Article DOI: 10.1021/jm00100a008
BindingDB Entry DOI: 10.7270/Q2CF9P23
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(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)


Article DOI: 10.1021/jm00062a010
BindingDB Entry DOI: 10.7270/Q23B5Z65
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(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)


Article DOI: 10.1021/jm00062a010
BindingDB Entry DOI: 10.7270/Q23B5Z65
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.


J Med Chem 35: 4039-44 (1992)


Article DOI: 10.1021/jm00100a008
BindingDB Entry DOI: 10.7270/Q2CF9P23
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.


J Med Chem 35: 4039-44 (1992)


Article DOI: 10.1021/jm00100a008
BindingDB Entry DOI: 10.7270/Q2CF9P23
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.


J Med Chem 35: 4039-44 (1992)


Article DOI: 10.1021/jm00100a008
BindingDB Entry DOI: 10.7270/Q2CF9P23
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


J Med Chem 35: 4039-44 (1992)


Article DOI: 10.1021/jm00100a008
BindingDB Entry DOI: 10.7270/Q2CF9P23
More data for this
Ligand-Target Pair
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