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Compile Data Set for Download or QSAR

Found 41 hits Enz. Inhib. hit(s) with all data for entry = 50007429   
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


(BOVINE)
BDBM50063215
PNG
(CHEMBL158859 | [3-(2-Chloro-benzyl)-3H-[1,2,3]tria...)
Show SMILES Clc1ccccc1Cn1nnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C16H17ClN6/c17-13-8-4-1-5-11(13)9-23-16-14(21-22-23)15(18-10-19-16)20-12-6-2-3-7-12/h1,4-5,8,10,12H,2-3,6-7,9H2,(H,18,19,20)
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21n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity at Adenosine A1 receptor in bovine brain cortical membranes using [3H]-(R)-(-)-N6-(2-phenylisopropyl)adenosi...


J Med Chem 41: 668-73 (1998)


Article DOI: 10.1021/jm9701334
BindingDB Entry DOI: 10.7270/Q2CR5SG9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)
BDBM50408698
PNG
(CHEMBL2112325)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(Cc3ccccc3Cl)nnc12 |r|
Show InChI InChI=1S/C20H19ClN6/c1-14(11-15-7-3-2-4-8-15)24-19-18-20(23-13-22-19)27(26-25-18)12-16-9-5-6-10-17(16)21/h2-10,13-14H,11-12H2,1H3,(H,22,23,24)/t14-/m1/s1
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39n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity at Adenosine A1 receptor in bovine brain cortical membranes using [3H]-(R)-(-)-N6-(2-phenylisopropyl)adenosi...


J Med Chem 41: 668-73 (1998)


Article DOI: 10.1021/jm9701334
BindingDB Entry DOI: 10.7270/Q2CR5SG9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)
BDBM50063204
PNG
(CHEMBL161711 | [3-(2-Chloro-benzyl)-3H-[1,2,3]tria...)
Show SMILES Clc1ccccc1Cn1nnc2c(NC3CCCCC3)ncnc12
Show InChI InChI=1S/C17H19ClN6/c18-14-9-5-4-6-12(14)10-24-17-15(22-23-24)16(19-11-20-17)21-13-7-2-1-3-8-13/h4-6,9,11,13H,1-3,7-8,10H2,(H,19,20,21)
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43n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity at Adenosine A1 receptor in bovine brain cortical membranes using [3H]-(R)-(-)-N6-(2-phenylisopropyl)adenosi...


J Med Chem 41: 668-73 (1998)


Article DOI: 10.1021/jm9701334
BindingDB Entry DOI: 10.7270/Q2CR5SG9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)
BDBM50063190
PNG
(CHEMBL159178 | [3-(2-Chloro-benzyl)-3H-[1,2,3]tria...)
Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(Cc3ccccc3Cl)nnc12
Show InChI InChI=1S/C20H19ClN6/c1-14(11-15-7-3-2-4-8-15)24-19-18-20(23-13-22-19)27(26-25-18)12-16-9-5-6-10-17(16)21/h2-10,13-14H,11-12H2,1H3,(H,22,23,24)
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73n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity at Adenosine A1 receptor in bovine brain cortical membranes using [3H]-(R)-(-)-N6-(2-phenylisopropyl)adenosi...


J Med Chem 41: 668-73 (1998)


Article DOI: 10.1021/jm9701334
BindingDB Entry DOI: 10.7270/Q2CR5SG9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)
BDBM50063184
PNG
(CHEMBL161051 | [3-(2-Chloro-benzyl)-3H-[1,2,3]tria...)
Show SMILES CC1CCCC(C1)Nc1ncnc2n(Cc3ccccc3Cl)nnc12
Show InChI InChI=1S/C18H21ClN6/c1-12-5-4-7-14(9-12)22-17-16-18(21-11-20-17)25(24-23-16)10-13-6-2-3-8-15(13)19/h2-3,6,8,11-12,14H,4-5,7,9-10H2,1H3,(H,20,21,22)
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102n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity at Adenosine A1 receptor in bovine brain cortical membranes using [3H]-(R)-(-)-N6-(2-phenylisopropyl)adenosi...


J Med Chem 41: 668-73 (1998)


Article DOI: 10.1021/jm9701334
BindingDB Entry DOI: 10.7270/Q2CR5SG9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)
BDBM50063189
PNG
(CHEMBL158598 | [3-(2-Chloro-benzyl)-3H-[1,2,3]tria...)
Show SMILES Cc1ccc(Nc2ncnc3n(Cc4ccccc4Cl)nnc23)cc1
Show InChI InChI=1S/C18H15ClN6/c1-12-6-8-14(9-7-12)22-17-16-18(21-11-20-17)25(24-23-16)10-13-4-2-3-5-15(13)19/h2-9,11H,10H2,1H3,(H,20,21,22)
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119n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity at Adenosine A1 receptor in bovine brain cortical membranes using [3H]-(R)-(-)-N6-(2-phenylisopropyl)adenosi...


J Med Chem 41: 668-73 (1998)


Article DOI: 10.1021/jm9701334
BindingDB Entry DOI: 10.7270/Q2CR5SG9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)
BDBM50063198
PNG
((3-Benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)...)
Show SMILES C(c1ccccc1)n1nnc2c(NC3CCCCC3)ncnc12
Show InChI InChI=1S/C17H20N6/c1-3-7-13(8-4-1)11-23-17-15(21-22-23)16(18-12-19-17)20-14-9-5-2-6-10-14/h1,3-4,7-8,12,14H,2,5-6,9-11H2,(H,18,19,20)
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121n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity at Adenosine A1 receptor in bovine brain cortical membranes using [3H]-(R)-(-)-N6-(2-phenylisopropyl)adenosi...


J Med Chem 41: 668-73 (1998)


Article DOI: 10.1021/jm9701334
BindingDB Entry DOI: 10.7270/Q2CR5SG9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)
BDBM50063185
PNG
((3-Benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)...)
Show SMILES C(c1ccccc1)n1nnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C16H18N6/c1-2-6-12(7-3-1)10-22-16-14(20-21-22)15(17-11-18-16)19-13-8-4-5-9-13/h1-3,6-7,11,13H,4-5,8-10H2,(H,17,18,19)
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127n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity at Adenosine A1 receptor in bovine brain cortical membranes using [3H]-(R)-(-)-N6-(2-phenylisopropyl)adenosi...


J Med Chem 41: 668-73 (1998)


Article DOI: 10.1021/jm9701334
BindingDB Entry DOI: 10.7270/Q2CR5SG9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)
BDBM50063180
PNG
(CHEMBL347834 | Cyclopentyl-(3-phenethyl-3H-[1,2,3]...)
Show SMILES C(Cn1nnc2c(NC3CCCC3)ncnc12)c1ccccc1
Show InChI InChI=1S/C17H20N6/c1-2-6-13(7-3-1)10-11-23-17-15(21-22-23)16(18-12-19-17)20-14-8-4-5-9-14/h1-3,6-7,12,14H,4-5,8-11H2,(H,18,19,20)
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176n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity at Adenosine A1 receptor in bovine brain cortical membranes using [3H]-(R)-(-)-N6-(2-phenylisopropyl)adenosi...


J Med Chem 41: 668-73 (1998)


Article DOI: 10.1021/jm9701334
BindingDB Entry DOI: 10.7270/Q2CR5SG9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)
BDBM50063210
PNG
(CHEMBL161326 | Cyclohexyl-(3-phenethyl-3H-[1,2,3]t...)
Show SMILES C(Cn1nnc2c(NC3CCCCC3)ncnc12)c1ccccc1
Show InChI InChI=1S/C18H22N6/c1-3-7-14(8-4-1)11-12-24-18-16(22-23-24)17(19-13-20-18)21-15-9-5-2-6-10-15/h1,3-4,7-8,13,15H,2,5-6,9-12H2,(H,19,20,21)
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216n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity at Adenosine A1 receptor in bovine brain cortical membranes using [3H]-(R)-(-)-N6-(2-phenylisopropyl)adenosi...


J Med Chem 41: 668-73 (1998)


Article DOI: 10.1021/jm9701334
BindingDB Entry DOI: 10.7270/Q2CR5SG9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)
BDBM50063217
PNG
((4-Nitro-benzyl)-(3-phenethyl-3H-[1,2,3]triazolo[4...)
Show SMILES [O-][N+](=O)c1ccc(CNc2ncnc3n(CCc4ccccc4)nnc23)cc1
Show InChI InChI=1S/C19H17N7O2/c27-26(28)16-8-6-15(7-9-16)12-20-18-17-19(22-13-21-18)25(24-23-17)11-10-14-4-2-1-3-5-14/h1-9,13H,10-12H2,(H,20,21,22)
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245n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity at Adenosine A1 receptor in bovine brain cortical membranes using [3H]-(R)-(-)-N6-(2-phenylisopropyl)adenosi...


J Med Chem 41: 668-73 (1998)


Article DOI: 10.1021/jm9701334
BindingDB Entry DOI: 10.7270/Q2CR5SG9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)
BDBM50408699
PNG
(CHEMBL2110165)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(Cc3ccccc3)nnc12 |r|
Show InChI InChI=1S/C20H20N6/c1-15(12-16-8-4-2-5-9-16)23-19-18-20(22-14-21-19)26(25-24-18)13-17-10-6-3-7-11-17/h2-11,14-15H,12-13H2,1H3,(H,21,22,23)/t15-/m1/s1
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274n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity at Adenosine A1 receptor in bovine brain cortical membranes using [3H]-(R)-(-)-N6-(2-phenylisopropyl)adenosi...


J Med Chem 41: 668-73 (1998)


Article DOI: 10.1021/jm9701334
BindingDB Entry DOI: 10.7270/Q2CR5SG9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)
BDBM50063211
PNG
((3-Benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)...)
Show SMILES CC(Nc1ncnc2n(Cc3ccccc3)nnc12)c1ccccc1
Show InChI InChI=1S/C19H18N6/c1-14(16-10-6-3-7-11-16)22-18-17-19(21-13-20-18)25(24-23-17)12-15-8-4-2-5-9-15/h2-11,13-14H,12H2,1H3,(H,20,21,22)
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438n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity at Adenosine A1 receptor in bovine brain cortical membranes using [3H]-(R)-(-)-N6-(2-phenylisopropyl)adenosi...


J Med Chem 41: 668-73 (1998)


Article DOI: 10.1021/jm9701334
BindingDB Entry DOI: 10.7270/Q2CR5SG9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)
BDBM50063206
PNG
((3-Benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)...)
Show SMILES [O-][N+](=O)c1cccc(Nc2ncnc3n(Cc4ccccc4)nnc23)c1
Show InChI InChI=1S/C17H13N7O2/c25-24(26)14-8-4-7-13(9-14)20-16-15-17(19-11-18-16)23(22-21-15)10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,18,19,20)
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443n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity at Adenosine A1 receptor in bovine brain cortical membranes using [3H]-(R)-(-)-N6-(2-phenylisopropyl)adenosi...


J Med Chem 41: 668-73 (1998)


Article DOI: 10.1021/jm9701334
BindingDB Entry DOI: 10.7270/Q2CR5SG9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)
BDBM50063194
PNG
((3-Benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)...)
Show SMILES Clc1cccc(Nc2ncnc3n(Cc4ccccc4)nnc23)c1
Show InChI InChI=1S/C17H13ClN6/c18-13-7-4-8-14(9-13)21-16-15-17(20-11-19-16)24(23-22-15)10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,19,20,21)
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463n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity at Adenosine A1 receptor in bovine brain cortical membranes using [3H]-(R)-(-)-N6-(2-phenylisopropyl)adenosi...


J Med Chem 41: 668-73 (1998)


Article DOI: 10.1021/jm9701334
BindingDB Entry DOI: 10.7270/Q2CR5SG9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)
BDBM50063195
PNG
(CHEMBL161425 | [3-(2-Chloro-benzyl)-3H-[1,2,3]tria...)
Show SMILES CC(Nc1ncnc2n(Cc3ccccc3Cl)nnc12)c1ccccc1
Show InChI InChI=1S/C19H17ClN6/c1-13(14-7-3-2-4-8-14)23-18-17-19(22-12-21-18)26(25-24-17)11-15-9-5-6-10-16(15)20/h2-10,12-13H,11H2,1H3,(H,21,22,23)
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468n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity at Adenosine A1 receptor in bovine brain cortical membranes using [3H]-(R)-(-)-N6-(2-phenylisopropyl)adenosi...


J Med Chem 41: 668-73 (1998)


Article DOI: 10.1021/jm9701334
BindingDB Entry DOI: 10.7270/Q2CR5SG9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)
BDBM50063191
PNG
((3-Benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)...)
Show SMILES Cc1ccc(Nc2ncnc3n(Cc4ccccc4)nnc23)cc1
Show InChI InChI=1S/C18H16N6/c1-13-7-9-15(10-8-13)21-17-16-18(20-12-19-17)24(23-22-16)11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,19,20,21)
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502n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity at Adenosine A1 receptor in bovine brain cortical membranes using [3H]-(R)-(-)-N6-(2-phenylisopropyl)adenosi...


J Med Chem 41: 668-73 (1998)


Article DOI: 10.1021/jm9701334
BindingDB Entry DOI: 10.7270/Q2CR5SG9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)
BDBM50063199
PNG
((3-Benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)...)
Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(Cc3ccccc3)nnc12
Show InChI InChI=1S/C20H20N6/c1-15(12-16-8-4-2-5-9-16)23-19-18-20(22-14-21-19)26(25-24-18)13-17-10-6-3-7-11-17/h2-11,14-15H,12-13H2,1H3,(H,21,22,23)
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575n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity at Adenosine A1 receptor in bovine brain cortical membranes using [3H]-(R)-(-)-N6-(2-phenylisopropyl)adenosi...


J Med Chem 41: 668-73 (1998)


Article DOI: 10.1021/jm9701334
BindingDB Entry DOI: 10.7270/Q2CR5SG9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)
BDBM50063200
PNG
((3-Benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)...)
Show SMILES CC1CCCC(C1)Nc1ncnc2n(Cc3ccccc3)nnc12
Show InChI InChI=1S/C18H22N6/c1-13-6-5-9-15(10-13)21-17-16-18(20-12-19-17)24(23-22-16)11-14-7-3-2-4-8-14/h2-4,7-8,12-13,15H,5-6,9-11H2,1H3,(H,19,20,21)
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770n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity at Adenosine A1 receptor in bovine brain cortical membranes using [3H]-(R)-(-)-N6-(2-phenylisopropyl)adenosi...


J Med Chem 41: 668-73 (1998)


Article DOI: 10.1021/jm9701334
BindingDB Entry DOI: 10.7270/Q2CR5SG9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)
BDBM50063208
PNG
(CHEMBL349650 | N-[3-(2-Chloro-benzyl)-3H-[1,2,3]tr...)
Show SMILES Nc1ccc(Nc2ncnc3n(Cc4ccccc4Cl)nnc23)cc1
Show InChI InChI=1S/C17H14ClN7/c18-14-4-2-1-3-11(14)9-25-17-15(23-24-25)16(20-10-21-17)22-13-7-5-12(19)6-8-13/h1-8,10H,9,19H2,(H,20,21,22)
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>1.00E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity at Adenosine A1 receptor in bovine brain cortical membranes using [3H]-(R)-(-)-N6-(2-phenylisopropyl)adenosi...


J Med Chem 41: 668-73 (1998)


Article DOI: 10.1021/jm9701334
BindingDB Entry DOI: 10.7270/Q2CR5SG9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)
BDBM50063213
PNG
(CHEMBL350078 | [3-(2-Chloro-benzyl)-3H-[1,2,3]tria...)
Show SMILES [O-][N+](=O)c1ccc(CCNc2ncnc3n(Cc4ccccc4Cl)nnc23)cc1
Show InChI InChI=1S/C19H16ClN7O2/c20-16-4-2-1-3-14(16)11-26-19-17(24-25-26)18(22-12-23-19)21-10-9-13-5-7-15(8-6-13)27(28)29/h1-8,12H,9-11H2,(H,21,22,23)
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>1.00E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity at Adenosine A1 receptor in bovine brain cortical membranes using [3H]-(R)-(-)-N6-(2-phenylisopropyl)adenosi...


J Med Chem 41: 668-73 (1998)


Article DOI: 10.1021/jm9701334
BindingDB Entry DOI: 10.7270/Q2CR5SG9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)
BDBM50063186
PNG
((4-Amino-benzyl)-[3-(2-chloro-benzyl)-3H-[1,2,3]tr...)
Show SMILES Nc1ccc(CNc2ncnc3n(Cc4ccccc4Cl)nnc23)cc1
Show InChI InChI=1S/C18H16ClN7/c19-15-4-2-1-3-13(15)10-26-18-16(24-25-26)17(22-11-23-18)21-9-12-5-7-14(20)8-6-12/h1-8,11H,9-10,20H2,(H,21,22,23)
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>1.00E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity at Adenosine A1 receptor in bovine brain cortical membranes using [3H]-(R)-(-)-N6-(2-phenylisopropyl)adenosi...


J Med Chem 41: 668-73 (1998)


Article DOI: 10.1021/jm9701334
BindingDB Entry DOI: 10.7270/Q2CR5SG9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)
BDBM50063214
PNG
((3-Benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)...)
Show SMILES [O-][N+](=O)c1ccc(CCNc2ncnc3n(Cc4ccccc4)nnc23)cc1
Show InChI InChI=1S/C19H17N7O2/c27-26(28)16-8-6-14(7-9-16)10-11-20-18-17-19(22-13-21-18)25(24-23-17)12-15-4-2-1-3-5-15/h1-9,13H,10-12H2,(H,20,21,22)
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>1.00E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity at Adenosine A1 receptor in bovine brain cortical membranes using [3H]-(R)-(-)-N6-(2-phenylisopropyl)adenosi...


J Med Chem 41: 668-73 (1998)


Article DOI: 10.1021/jm9701334
BindingDB Entry DOI: 10.7270/Q2CR5SG9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)
BDBM50063187
PNG
((3-Benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)...)
Show SMILES [O-][N+](=O)c1ccc(CNc2ncnc3n(Cc4ccccc4)nnc23)cc1
Show InChI InChI=1S/C18H15N7O2/c26-25(27)15-8-6-13(7-9-15)10-19-17-16-18(21-12-20-17)24(23-22-16)11-14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,19,20,21)
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>1.00E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity at Adenosine A1 receptor in bovine brain cortical membranes using [3H]-(R)-(-)-N6-(2-phenylisopropyl)adenosi...


J Med Chem 41: 668-73 (1998)


Article DOI: 10.1021/jm9701334
BindingDB Entry DOI: 10.7270/Q2CR5SG9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)
BDBM50063182
PNG
(CHEMBL161766 | [3-(2-Chloro-benzyl)-3H-[1,2,3]tria...)
Show SMILES [O-][N+](=O)c1ccc(CNc2ncnc3n(Cc4ccccc4Cl)nnc23)cc1
Show InChI InChI=1S/C18H14ClN7O2/c19-15-4-2-1-3-13(15)10-25-18-16(23-24-25)17(21-11-22-18)20-9-12-5-7-14(8-6-12)26(27)28/h1-8,11H,9-10H2,(H,20,21,22)
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>1.00E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity at Adenosine A1 receptor in bovine brain cortical membranes using [3H]-(R)-(-)-N6-(2-phenylisopropyl)adenosi...


J Med Chem 41: 668-73 (1998)


Article DOI: 10.1021/jm9701334
BindingDB Entry DOI: 10.7270/Q2CR5SG9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)
BDBM50063203
PNG
((3-Benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)...)
Show SMILES Cc1cccc(Nc2ncnc3n(Cc4ccccc4)nnc23)c1
Show InChI InChI=1S/C18H16N6/c1-13-6-5-9-15(10-13)21-17-16-18(20-12-19-17)24(23-22-16)11-14-7-3-2-4-8-14/h2-10,12H,11H2,1H3,(H,19,20,21)
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1.10E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity at Adenosine A1 receptor in bovine brain cortical membranes using [3H]-(R)-(-)-N6-(2-phenylisopropyl)adenosi...


J Med Chem 41: 668-73 (1998)


Article DOI: 10.1021/jm9701334
BindingDB Entry DOI: 10.7270/Q2CR5SG9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)
BDBM50063209
PNG
(CHEMBL158483 | [2-(4-Amino-phenyl)-ethyl]-(3-benzy...)
Show SMILES Nc1ccc(CCNc2ncnc3n(Cc4ccccc4)nnc23)cc1
Show InChI InChI=1S/C19H19N7/c20-16-8-6-14(7-9-16)10-11-21-18-17-19(23-13-22-18)26(25-24-17)12-15-4-2-1-3-5-15/h1-9,13H,10-12,20H2,(H,21,22,23)
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1.54E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity at Adenosine A1 receptor in bovine brain cortical membranes using [3H]-(R)-(-)-N6-(2-phenylisopropyl)adenosi...


J Med Chem 41: 668-73 (1998)


Article DOI: 10.1021/jm9701334
BindingDB Entry DOI: 10.7270/Q2CR5SG9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)
BDBM50063201
PNG
((3-Phenethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-...)
Show SMILES Cc1ccc(Nc2ncnc3n(CCc4ccccc4)nnc23)cc1
Show InChI InChI=1S/C19H18N6/c1-14-7-9-16(10-8-14)22-18-17-19(21-13-20-18)25(24-23-17)12-11-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,20,21,22)
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1.67E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity at Adenosine A1 receptor in bovine brain cortical membranes using [3H]-(R)-(-)-N6-(2-phenylisopropyl)adenosi...


J Med Chem 41: 668-73 (1998)


Article DOI: 10.1021/jm9701334
BindingDB Entry DOI: 10.7270/Q2CR5SG9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)
BDBM50063188
PNG
(CHEMBL162531 | [3-(2-Chloro-benzyl)-3H-[1,2,3]tria...)
Show SMILES Clc1cccc(Nc2ncnc3n(Cc4ccccc4Cl)nnc23)c1
Show InChI InChI=1S/C17H12Cl2N6/c18-12-5-3-6-13(8-12)22-16-15-17(21-10-20-16)25(24-23-15)9-11-4-1-2-7-14(11)19/h1-8,10H,9H2,(H,20,21,22)
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1.83E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity at Adenosine A1 receptor in bovine brain cortical membranes using [3H]-(R)-(-)-N6-(2-phenylisopropyl)adenosi...


J Med Chem 41: 668-73 (1998)


Article DOI: 10.1021/jm9701334
BindingDB Entry DOI: 10.7270/Q2CR5SG9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)
BDBM50063205
PNG
((3-Phenethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-...)
Show SMILES CC(Nc1ncnc2n(CCc3ccccc3)nnc12)c1ccccc1
Show InChI InChI=1S/C20H20N6/c1-15(17-10-6-3-7-11-17)23-19-18-20(22-14-21-19)26(25-24-18)13-12-16-8-4-2-5-9-16/h2-11,14-15H,12-13H2,1H3,(H,21,22,23)
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2.20E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity at Adenosine A1 receptor in bovine brain cortical membranes using [3H]-(R)-(-)-N6-(2-phenylisopropyl)adenosi...


J Med Chem 41: 668-73 (1998)


Article DOI: 10.1021/jm9701334
BindingDB Entry DOI: 10.7270/Q2CR5SG9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)
BDBM50063192
PNG
((3-Nitro-phenyl)-(3-phenethyl-3H-[1,2,3]triazolo[4...)
Show SMILES [O-][N+](=O)c1cccc(Nc2ncnc3n(CCc4ccccc4)nnc23)c1
Show InChI InChI=1S/C18H15N7O2/c26-25(27)15-8-4-7-14(11-15)21-17-16-18(20-12-19-17)24(23-22-16)10-9-13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H,19,20,21)
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2.25E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity at Adenosine A1 receptor in bovine brain cortical membranes using [3H]-(R)-(-)-N6-(2-phenylisopropyl)adenosi...


J Med Chem 41: 668-73 (1998)


Article DOI: 10.1021/jm9701334
BindingDB Entry DOI: 10.7270/Q2CR5SG9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)
BDBM50063202
PNG
((1-Methyl-2-phenyl-ethyl)-(3-phenethyl-3H-[1,2,3]t...)
Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(CCc3ccccc3)nnc12
Show InChI InChI=1S/C21H22N6/c1-16(14-18-10-6-3-7-11-18)24-20-19-21(23-15-22-20)27(26-25-19)13-12-17-8-4-2-5-9-17/h2-11,15-16H,12-14H2,1H3,(H,22,23,24)
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2.49E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity at Adenosine A1 receptor in bovine brain cortical membranes using [3H]-(R)-(-)-N6-(2-phenylisopropyl)adenosi...


J Med Chem 41: 668-73 (1998)


Article DOI: 10.1021/jm9701334
BindingDB Entry DOI: 10.7270/Q2CR5SG9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)
BDBM50063212
PNG
((3-Benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)...)
Show SMILES C(Nc1ncnc2n(Cc3ccccc3)nnc12)C1CCCCC1
Show InChI InChI=1S/C18H22N6/c1-3-7-14(8-4-1)11-19-17-16-18(21-13-20-17)24(23-22-16)12-15-9-5-2-6-10-15/h2,5-6,9-10,13-14H,1,3-4,7-8,11-12H2,(H,19,20,21)
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2.79E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity at Adenosine A1 receptor in bovine brain cortical membranes using [3H]-(R)-(-)-N6-(2-phenylisopropyl)adenosi...


J Med Chem 41: 668-73 (1998)


Article DOI: 10.1021/jm9701334
BindingDB Entry DOI: 10.7270/Q2CR5SG9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)
BDBM50063179
PNG
(CHEMBL351691 | [3-(2-Chloro-benzyl)-3H-[1,2,3]tria...)
Show SMILES [O-][N+](=O)c1cccc(Nc2ncnc3n(Cc4ccccc4Cl)nnc23)c1
Show InChI InChI=1S/C17H12ClN7O2/c18-14-7-2-1-4-11(14)9-24-17-15(22-23-24)16(19-10-20-17)21-12-5-3-6-13(8-12)25(26)27/h1-8,10H,9H2,(H,19,20,21)
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3.30E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity at Adenosine A1 receptor in bovine brain cortical membranes using [3H]-(R)-(-)-N6-(2-phenylisopropyl)adenosi...


J Med Chem 41: 668-73 (1998)


Article DOI: 10.1021/jm9701334
BindingDB Entry DOI: 10.7270/Q2CR5SG9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)
BDBM50063183
PNG
((3-Chloro-phenyl)-(3-phenethyl-3H-[1,2,3]triazolo[...)
Show SMILES Clc1cccc(Nc2ncnc3n(CCc4ccccc4)nnc23)c1
Show InChI InChI=1S/C18H15ClN6/c19-14-7-4-8-15(11-14)22-17-16-18(21-12-20-17)25(24-23-16)10-9-13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H,20,21,22)
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3.32E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity at Adenosine A1 receptor in bovine brain cortical membranes using [3H]-(R)-(-)-N6-(2-phenylisopropyl)adenosi...


J Med Chem 41: 668-73 (1998)


Article DOI: 10.1021/jm9701334
BindingDB Entry DOI: 10.7270/Q2CR5SG9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)
BDBM50063181
PNG
(CHEMBL162247 | [3-(2-Chloro-benzyl)-3H-[1,2,3]tria...)
Show SMILES Clc1ccccc1Cn1nnc2c(NCC3CCCCC3)ncnc12
Show InChI InChI=1S/C18H21ClN6/c19-15-9-5-4-8-14(15)11-25-18-16(23-24-25)17(21-12-22-18)20-10-13-6-2-1-3-7-13/h4-5,8-9,12-13H,1-3,6-7,10-11H2,(H,20,21,22)
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4.26E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity at Adenosine A1 receptor in bovine brain cortical membranes using [3H]-(R)-(-)-N6-(2-phenylisopropyl)adenosi...


J Med Chem 41: 668-73 (1998)


Article DOI: 10.1021/jm9701334
BindingDB Entry DOI: 10.7270/Q2CR5SG9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)
BDBM50063193
PNG
((3-Phenethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-...)
Show SMILES Cc1cccc(Nc2ncnc3n(CCc4ccccc4)nnc23)c1
Show InChI InChI=1S/C19H18N6/c1-14-6-5-9-16(12-14)22-18-17-19(21-13-20-18)25(24-23-17)11-10-15-7-3-2-4-8-15/h2-9,12-13H,10-11H2,1H3,(H,20,21,22)
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4.38E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity at Adenosine A1 receptor in bovine brain cortical membranes using [3H]-(R)-(-)-N6-(2-phenylisopropyl)adenosi...


J Med Chem 41: 668-73 (1998)


Article DOI: 10.1021/jm9701334
BindingDB Entry DOI: 10.7270/Q2CR5SG9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)
BDBM50063197
PNG
(CHEMBL158423 | [3-(2-Chloro-benzyl)-3H-[1,2,3]tria...)
Show SMILES Cc1cccc(Nc2ncnc3n(Cc4ccccc4Cl)nnc23)c1
Show InChI InChI=1S/C18H15ClN6/c1-12-5-4-7-14(9-12)22-17-16-18(21-11-20-17)25(24-23-16)10-13-6-2-3-8-15(13)19/h2-9,11H,10H2,1H3,(H,20,21,22)
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5.88E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity at Adenosine A1 receptor in bovine brain cortical membranes using [3H]-(R)-(-)-N6-(2-phenylisopropyl)adenosi...


J Med Chem 41: 668-73 (1998)


Article DOI: 10.1021/jm9701334
BindingDB Entry DOI: 10.7270/Q2CR5SG9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)
BDBM50063207
PNG
(CHEMBL157641 | N-(3-Benzyl-3H-[1,2,3]triazolo[4,5-...)
Show SMILES Nc1ccc(Nc2ncnc3n(Cc4ccccc4)nnc23)cc1
Show InChI InChI=1S/C17H15N7/c18-13-6-8-14(9-7-13)21-16-15-17(20-11-19-16)24(23-22-15)10-12-4-2-1-3-5-12/h1-9,11H,10,18H2,(H,19,20,21)
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6.70E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity at Adenosine A1 receptor in bovine brain cortical membranes using [3H]-(R)-(-)-N6-(2-phenylisopropyl)adenosi...


J Med Chem 41: 668-73 (1998)


Article DOI: 10.1021/jm9701334
BindingDB Entry DOI: 10.7270/Q2CR5SG9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)
BDBM50063196
PNG
(CHEMBL161227 | N-(3-Phenethyl-3H-[1,2,3]triazolo[4...)
Show SMILES Nc1ccc(Nc2ncnc3n(CCc4ccccc4)nnc23)cc1
Show InChI InChI=1S/C18H17N7/c19-14-6-8-15(9-7-14)22-17-16-18(21-12-20-17)25(24-23-16)11-10-13-4-2-1-3-5-13/h1-9,12H,10-11,19H2,(H,20,21,22)
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UniChem

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Article
PubMed
7.20E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity at Adenosine A1 receptor in bovine brain cortical membranes using [3H]-(R)-(-)-N6-(2-phenylisopropyl)adenosi...


J Med Chem 41: 668-73 (1998)


Article DOI: 10.1021/jm9701334
BindingDB Entry DOI: 10.7270/Q2CR5SG9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)
BDBM50063216
PNG
((4-Amino-benzyl)-(3-benzyl-3H-[1,2,3]triazolo[4,5-...)
Show SMILES Nc1ccc(CNc2ncnc3n(Cc4ccccc4)nnc23)cc1
Show InChI InChI=1S/C18H17N7/c19-15-8-6-13(7-9-15)10-20-17-16-18(22-12-21-17)25(24-23-16)11-14-4-2-1-3-5-14/h1-9,12H,10-11,19H2,(H,20,21,22)
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UniChem

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Article
PubMed
9.50E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity at Adenosine A1 receptor in bovine brain cortical membranes using [3H]-(R)-(-)-N6-(2-phenylisopropyl)adenosi...


J Med Chem 41: 668-73 (1998)


Article DOI: 10.1021/jm9701334
BindingDB Entry DOI: 10.7270/Q2CR5SG9
More data for this
Ligand-Target Pair