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PubMed code 26392370

Compile data set for download or QSAR
Found 66 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 receptor A1


(Rattus norvegicus (rat))		BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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 0.211n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from Adenosine A1 receptor in Sprague-Dawley rat brain cortical membranes in presence of 0.1 mM GTP

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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 0.229n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from Adenosine A1 receptor in Sprague-Dawley rat brain cortical membranes in absence of GTP

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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 0.300n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PIA from Adenosine A1 receptor in Wistar rat brain membranes

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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 0.477n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from Adenosine A1 receptor in Sprague-Dawley rat whole brain membranes in presence of 0.1 mM GTP

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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 0.553n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from Adenosine A1 receptor in Sprague-Dawley rat whole brain membranes

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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 0.553n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from Adenosine A1 receptor in Sprague-Dawley rat whole brain membranes in absence of GTP

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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 0.560n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from Adenosine A1 receptor in rat whole brain membranes

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM21190
PNG
(4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...)
Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)
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 1.40n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-NECA from Adenosine A2A receptor in Sprague-Dawley rat striatal membranes

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50176050
PNG
(8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...)
Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O
Show InChI InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+
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 2.20n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from Adenosine A2A receptor in Lister hooded rat brain membranes

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM21190
PNG
(4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...)
Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)
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 2.20n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-NECA from Adenosine A2A receptor in rat striatal membranes

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM25400
PNG
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
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 4.40n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from Adenosine A1 receptor in Sprague-Dawley rat brain cortical membranes in absence of GTP

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM25400
PNG
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
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 5.90n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from Adenosine A1 receptor in rat brain cortical membranes in absence of GTP

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM25400
PNG
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
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 7.90n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from Adenosine A1 receptor in rat whole brain membranes

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM25400
PNG
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
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 15n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from Adenosine A1 receptor in Sprague-Dawley rat whole brain membranes

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM25400
PNG
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
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 15n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from Adenosine A1 receptor in Sprague-Dawley rat whole brain membranes in absence of GTP

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM25400
PNG
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
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 35n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from Adenosine A1 receptor in rat brain cortical membranes in presence of GTP

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50037429
PNG
(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)
Show SMILES Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H15ClN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b8-7+
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 54n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS 21680 from Adenosine A2A receptor in rat cortical membranes

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM25400
PNG
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
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 63n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from Adenosine A1 receptor in Sprague-Dawley rat brain cortical membranes in presence of 0.1 mM GTP

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM25400
PNG
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
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 99n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from Adenosine A1 receptor in Sprague-Dawley rat whole brain membranes in presence of 0.1 mM GTP

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM110163
PNG
(8-(3-Phenylpropyl)-1,3,7-triethylxanthine (9d))
Show SMILES CCn1c(CCCc2ccccc2)nc2n(CC)c(=O)n(CC)c(=O)c12
Show InChI InChI=1S/C20H26N4O2/c1-4-22-16(14-10-13-15-11-8-7-9-12-15)21-18-17(22)19(25)24(6-3)20(26)23(18)5-2/h7-9,11-12H,4-6,10,13-14H2,1-3H3
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 139n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from Adenosine A1 receptor in Sprague-Dawley rat brain cortical membranes in absence of GTP

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM110163
PNG
(8-(3-Phenylpropyl)-1,3,7-triethylxanthine (9d))
Show SMILES CCn1c(CCCc2ccccc2)nc2n(CC)c(=O)n(CC)c(=O)c12
Show InChI InChI=1S/C20H26N4O2/c1-4-22-16(14-10-13-15-11-8-7-9-12-15)21-18-17(22)19(25)24(6-3)20(26)23(18)5-2/h7-9,11-12H,4-6,10,13-14H2,1-3H3
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 164n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from Adenosine A1 receptor in Sprague-Dawley rat whole brain membranes

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM110163
PNG
(8-(3-Phenylpropyl)-1,3,7-triethylxanthine (9d))
Show SMILES CCn1c(CCCc2ccccc2)nc2n(CC)c(=O)n(CC)c(=O)c12
Show InChI InChI=1S/C20H26N4O2/c1-4-22-16(14-10-13-15-11-8-7-9-12-15)21-18-17(22)19(25)24(6-3)20(26)23(18)5-2/h7-9,11-12H,4-6,10,13-14H2,1-3H3
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 164n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from Adenosine A1 receptor in Sprague-Dawley rat whole brain membranes in absence of GTP

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM110163
PNG
(8-(3-Phenylpropyl)-1,3,7-triethylxanthine (9d))
Show SMILES CCn1c(CCCc2ccccc2)nc2n(CC)c(=O)n(CC)c(=O)c12
Show InChI InChI=1S/C20H26N4O2/c1-4-22-16(14-10-13-15-11-8-7-9-12-15)21-18-17(22)19(25)24(6-3)20(26)23(18)5-2/h7-9,11-12H,4-6,10,13-14H2,1-3H3
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 209n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from Adenosine A1 receptor in Sprague-Dawley rat whole brain membranes in presence of 0.1 mM GTP

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50176050
PNG
(8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...)
Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O
Show InChI InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+
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 230n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from Adenosine A1 receptor in Lister hooded rat brain membranes

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM110163
PNG
(8-(3-Phenylpropyl)-1,3,7-triethylxanthine (9d))
Show SMILES CCn1c(CCCc2ccccc2)nc2n(CC)c(=O)n(CC)c(=O)c12
Show InChI InChI=1S/C20H26N4O2/c1-4-22-16(14-10-13-15-11-8-7-9-12-15)21-18-17(22)19(25)24(6-3)20(26)23(18)5-2/h7-9,11-12H,4-6,10,13-14H2,1-3H3
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 258n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from Adenosine A1 receptor in Sprague-Dawley rat brain cortical membranes in presence of 0.1 mM GTP

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM110161
PNG
(8-(3-Phenylpropyl)-1,3-dimethyl-7-ethylxanthine (9...)
Show SMILES CCn1c(CCCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C18H22N4O2/c1-4-22-14(12-8-11-13-9-6-5-7-10-13)19-16-15(22)17(23)21(3)18(24)20(16)2/h5-7,9-10H,4,8,11-12H2,1-3H3
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 259n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from Adenosine A1 receptor in Sprague-Dawley rat whole brain membranes

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM25400
PNG
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
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 331n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-NECA from Adenosine A2A receptor in Sprague-Dawley rat striatal membranes

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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 340n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-NECA from Adenosine A2A receptor in Wistar rat striatal membranes

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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 340n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-NECA from Adenosine A2A receptor in rat striatal membranes

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM110159
PNG
(8-Phenoxymethyl-1,3,7-triethylxanthine (8d))
Show SMILES CCn1c(COc2ccccc2)nc2n(CC)c(=O)n(CC)c(=O)c12
Show InChI InChI=1S/C18H22N4O3/c1-4-20-14(12-25-13-10-8-7-9-11-13)19-16-15(20)17(23)22(6-3)18(24)21(16)5-2/h7-11H,4-6,12H2,1-3H3
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 356n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from Adenosine A1 receptor in Sprague-Dawley rat brain cortical membranes in absence of GTP

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM110159
PNG
(8-Phenoxymethyl-1,3,7-triethylxanthine (8d))
Show SMILES CCn1c(COc2ccccc2)nc2n(CC)c(=O)n(CC)c(=O)c12
Show InChI InChI=1S/C18H22N4O3/c1-4-20-14(12-25-13-10-8-7-9-11-13)19-16-15(20)17(23)22(6-3)18(24)21(16)5-2/h7-11H,4-6,12H2,1-3H3
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 368n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from Adenosine A1 receptor in Sprague-Dawley rat brain cortical membranes in presence of 0.1 mM GTP

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM110159
PNG
(8-Phenoxymethyl-1,3,7-triethylxanthine (8d))
Show SMILES CCn1c(COc2ccccc2)nc2n(CC)c(=O)n(CC)c(=O)c12
Show InChI InChI=1S/C18H22N4O3/c1-4-20-14(12-25-13-10-8-7-9-11-13)19-16-15(20)17(23)22(6-3)18(24)21(16)5-2/h7-11H,4-6,12H2,1-3H3
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 397n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from Adenosine A1 receptor in Sprague-Dawley rat whole brain membranes in presence of 0.1 mM GTP

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM110159
PNG
(8-Phenoxymethyl-1,3,7-triethylxanthine (8d))
Show SMILES CCn1c(COc2ccccc2)nc2n(CC)c(=O)n(CC)c(=O)c12
Show InChI InChI=1S/C18H22N4O3/c1-4-20-14(12-25-13-10-8-7-9-11-13)19-16-15(20)17(23)22(6-3)18(24)21(16)5-2/h7-11H,4-6,12H2,1-3H3
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 416n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from Adenosine A1 receptor in Sprague-Dawley rat whole brain membranes in absence of GTP

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM110159
PNG
(8-Phenoxymethyl-1,3,7-triethylxanthine (8d))
Show SMILES CCn1c(COc2ccccc2)nc2n(CC)c(=O)n(CC)c(=O)c12
Show InChI InChI=1S/C18H22N4O3/c1-4-20-14(12-25-13-10-8-7-9-11-13)19-16-15(20)17(23)22(6-3)18(24)21(16)5-2/h7-11H,4-6,12H2,1-3H3
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 416n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from Adenosine A1 receptor in Sprague-Dawley rat whole brain membranes

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM25400
PNG
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
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 460n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-NECA from Adenosine A2A receptor in rat striatal membranes

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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 530n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-NECA from Adenosine A2A receptor in Sprague-Dawley rat striatal membranes

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50120822
PNG
(CHEMBL3618473)
Show SMILES CCn1c(CCc2ccccc2)nc2n(CC)c(=O)n(CC)c(=O)c12
Show InChI InChI=1S/C19H24N4O2/c1-4-21-15(13-12-14-10-8-7-9-11-14)20-17-16(21)18(24)23(6-3)19(25)22(17)5-2/h7-11H,4-6,12-13H2,1-3H3
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 543n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from Adenosine A1 receptor in Sprague-Dawley rat brain cortical membranes in absence of GTP

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50120822
PNG
(CHEMBL3618473)
Show SMILES CCn1c(CCc2ccccc2)nc2n(CC)c(=O)n(CC)c(=O)c12
Show InChI InChI=1S/C19H24N4O2/c1-4-21-15(13-12-14-10-8-7-9-11-14)20-17-16(21)18(24)23(6-3)19(25)22(17)5-2/h7-11H,4-6,12-13H2,1-3H3
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 636n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from Adenosine A1 receptor in Sprague-Dawley rat whole brain membranes in absence of GTP

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50120822
PNG
(CHEMBL3618473)
Show SMILES CCn1c(CCc2ccccc2)nc2n(CC)c(=O)n(CC)c(=O)c12
Show InChI InChI=1S/C19H24N4O2/c1-4-21-15(13-12-14-10-8-7-9-11-14)20-17-16(21)18(24)23(6-3)19(25)22(17)5-2/h7-11H,4-6,12-13H2,1-3H3
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 636n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from Adenosine A1 receptor in Sprague-Dawley rat whole brain membranes

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50120822
PNG
(CHEMBL3618473)
Show SMILES CCn1c(CCc2ccccc2)nc2n(CC)c(=O)n(CC)c(=O)c12
Show InChI InChI=1S/C19H24N4O2/c1-4-21-15(13-12-14-10-8-7-9-11-14)20-17-16(21)18(24)23(6-3)19(25)22(17)5-2/h7-11H,4-6,12-13H2,1-3H3
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 681n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from Adenosine A1 receptor in Sprague-Dawley rat brain cortical membranes in presence of 0.1 mM GTP

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50120822
PNG
(CHEMBL3618473)
Show SMILES CCn1c(CCc2ccccc2)nc2n(CC)c(=O)n(CC)c(=O)c12
Show InChI InChI=1S/C19H24N4O2/c1-4-21-15(13-12-14-10-8-7-9-11-14)20-17-16(21)18(24)23(6-3)19(25)22(17)5-2/h7-11H,4-6,12-13H2,1-3H3
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 763n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from Adenosine A1 receptor in Sprague-Dawley rat whole brain membranes in presence of 0.1 mM GTP

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50120821
PNG
(CHEMBL3618472)
Show SMILES CCn1c2nc(CCc3ccccc3)n(C)c2c(=O)n(CC)c1=O
Show InChI InChI=1S/C18H22N4O2/c1-4-21-16-15(17(23)22(5-2)18(21)24)20(3)14(19-16)12-11-13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3
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 816n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from Adenosine A1 receptor in Sprague-Dawley rat whole brain membranes

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM110158
PNG
(8-Phenoxymethyl-1,3-diethyl-7-methylxanthine (8c))
Show SMILES CCn1c2nc(COc3ccccc3)n(C)c2c(=O)n(CC)c1=O
Show InChI InChI=1S/C17H20N4O3/c1-4-20-15-14(16(22)21(5-2)17(20)23)19(3)13(18-15)11-24-12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3
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 874n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from Adenosine A1 receptor in Sprague-Dawley rat whole brain membranes

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50120820
PNG
(CHEMBL3618471)
Show SMILES CCn1c(CCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H20N4O2/c1-4-21-13(11-10-12-8-6-5-7-9-12)18-15-14(21)16(22)20(3)17(23)19(15)2/h5-9H,4,10-11H2,1-3H3
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 1.09E+3n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from Adenosine A1 receptor in Sprague-Dawley rat whole brain membranes

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM110157
PNG
(8-Phenoxymethyl-1,3-dimethyl-7-ethylxantine (8b))
Show SMILES CCn1c(COc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H18N4O3/c1-4-20-12(10-23-11-8-6-5-7-9-11)17-14-13(20)15(21)19(3)16(22)18(14)2/h5-9H,4,10H2,1-3H3
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 1.10E+3n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from Adenosine A1 receptor in Sprague-Dawley rat whole brain membranes

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM110162
PNG
(8-(3-Phenylpropyl)-1,3-diethyl-7-methylxanthine (9...)
Show SMILES CCn1c2nc(CCCc3ccccc3)n(C)c2c(=O)n(CC)c1=O
Show InChI InChI=1S/C19H24N4O2/c1-4-22-17-16(18(24)23(5-2)19(22)25)21(3)15(20-17)13-9-12-14-10-7-6-8-11-14/h6-8,10-11H,4-5,9,12-13H2,1-3H3
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 1.24E+3n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from Adenosine A1 receptor in Sprague-Dawley rat whole brain membranes

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM110160
PNG
(8-(3-Phenylpropyl)-1,3,7-trimethylxanthine (9a))
Show SMILES Cn1c(CCCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H20N4O2/c1-19-13(11-7-10-12-8-5-4-6-9-12)18-15-14(19)16(22)21(3)17(23)20(15)2/h4-6,8-9H,7,10-11H2,1-3H3
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 1.55E+3n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from Adenosine A1 receptor in Sprague-Dawley rat whole brain membranes

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM110158
PNG
(8-Phenoxymethyl-1,3-diethyl-7-methylxanthine (8c))
Show SMILES CCn1c2nc(COc3ccccc3)n(C)c2c(=O)n(CC)c1=O
Show InChI InChI=1S/C17H20N4O3/c1-4-20-15-14(16(22)21(5-2)17(20)23)19(3)13(18-15)11-24-12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3
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 1.91E+3n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-NECA from Adenosine A2A receptor in Sprague-Dawley rat striatal membranes

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM110157
PNG
(8-Phenoxymethyl-1,3-dimethyl-7-ethylxantine (8b))
Show SMILES CCn1c(COc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H18N4O3/c1-4-20-12(10-23-11-8-6-5-7-9-11)17-14-13(20)15(21)19(3)16(22)18(14)2/h5-9H,4,10H2,1-3H3
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 2.25E+3n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-NECA from Adenosine A2A receptor in Sprague-Dawley rat striatal membranes

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50120821
PNG
(CHEMBL3618472)
Show SMILES CCn1c2nc(CCc3ccccc3)n(C)c2c(=O)n(CC)c1=O
Show InChI InChI=1S/C18H22N4O2/c1-4-21-16-15(17(23)22(5-2)18(21)24)20(3)14(19-16)12-11-13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3
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 2.36E+3n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-NECA from Adenosine A2A receptor in Sprague-Dawley rat striatal membranes

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50420978
PNG
(8-Phenoxymethylcaffeine (8a) | CHEMBL2088299)
Show SMILES Cn1c(COc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C15H16N4O3/c1-17-11(9-22-10-7-5-4-6-8-10)16-13-12(17)14(20)19(3)15(21)18(13)2/h4-8H,9H2,1-3H3
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 2.37E+3n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-NECA from Adenosine A2A receptor in Sprague-Dawley rat striatal membranes

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM110159
PNG
(8-Phenoxymethyl-1,3,7-triethylxanthine (8d))
Show SMILES CCn1c(COc2ccccc2)nc2n(CC)c(=O)n(CC)c(=O)c12
Show InChI InChI=1S/C18H22N4O3/c1-4-20-14(12-25-13-10-8-7-9-11-13)19-16-15(20)17(23)22(6-3)18(24)21(16)5-2/h7-11H,4-6,12H2,1-3H3
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 2.64E+3n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-NECA from Adenosine A2A receptor in Sprague-Dawley rat striatal membranes

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM110163
PNG
(8-(3-Phenylpropyl)-1,3,7-triethylxanthine (9d))
Show SMILES CCn1c(CCCc2ccccc2)nc2n(CC)c(=O)n(CC)c(=O)c12
Show InChI InChI=1S/C20H26N4O2/c1-4-22-16(14-10-13-15-11-8-7-9-12-15)21-18-17(22)19(25)24(6-3)20(26)23(18)5-2/h7-9,11-12H,4-6,10,13-14H2,1-3H3
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 2.71E+3n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-NECA from Adenosine A2A receptor in Sprague-Dawley rat striatal membranes

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50420978
PNG
(8-Phenoxymethylcaffeine (8a) | CHEMBL2088299)
Show SMILES Cn1c(COc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C15H16N4O3/c1-17-11(9-22-10-7-5-4-6-8-10)16-13-12(17)14(20)19(3)15(21)18(13)2/h4-8H,9H2,1-3H3
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 3.09E+3n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from Adenosine A1 receptor in Sprague-Dawley rat whole brain membranes

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50120820
PNG
(CHEMBL3618471)
Show SMILES CCn1c(CCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H20N4O2/c1-4-21-13(11-10-12-8-6-5-7-9-12)18-15-14(21)16(22)20(3)17(23)19(15)2/h5-9H,4,10-11H2,1-3H3
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 3.11E+3n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-NECA from Adenosine A2A receptor in Sprague-Dawley rat striatal membranes

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM110162
PNG
(8-(3-Phenylpropyl)-1,3-diethyl-7-methylxanthine (9...)
Show SMILES CCn1c2nc(CCCc3ccccc3)n(C)c2c(=O)n(CC)c1=O
Show InChI InChI=1S/C19H24N4O2/c1-4-22-17-16(18(24)23(5-2)19(22)25)21(3)15(20-17)13-9-12-14-10-7-6-8-11-14/h6-8,10-11H,4-5,9,12-13H2,1-3H3
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 3.93E+3n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-NECA from Adenosine A2A receptor in Sprague-Dawley rat striatal membranes

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM110161
PNG
(8-(3-Phenylpropyl)-1,3-dimethyl-7-ethylxanthine (9...)
Show SMILES CCn1c(CCCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C18H22N4O2/c1-4-22-14(12-8-11-13-9-6-5-7-10-13)19-16-15(22)17(23)21(3)18(24)20(16)2/h5-7,9-10H,4,8,11-12H2,1-3H3
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 4.93E+3n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-NECA from Adenosine A2A receptor in Sprague-Dawley rat striatal membranes

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50120819
PNG
(CHEMBL1864958)
Show SMILES Cn1c(CCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H18N4O2/c1-18-12(10-9-11-7-5-4-6-8-11)17-14-13(18)15(21)20(3)16(22)19(14)2/h4-8H,9-10H2,1-3H3
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 4.95E+3n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-NECA from Adenosine A2A receptor in Sprague-Dawley rat striatal membranes

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50120822
PNG
(CHEMBL3618473)
Show SMILES CCn1c(CCc2ccccc2)nc2n(CC)c(=O)n(CC)c(=O)c12
Show InChI InChI=1S/C19H24N4O2/c1-4-21-15(13-12-14-10-8-7-9-11-14)20-17-16(21)18(24)23(6-3)19(25)22(17)5-2/h7-11H,4-6,12-13H2,1-3H3
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 4.97E+3n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-NECA from Adenosine A2A receptor in Sprague-Dawley rat striatal membranes

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50120819
PNG
(CHEMBL1864958)
Show SMILES Cn1c(CCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H18N4O2/c1-18-12(10-9-11-7-5-4-6-8-11)17-14-13(18)15(21)20(3)16(22)19(14)2/h4-8H,9-10H2,1-3H3
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 5.74E+3n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from Adenosine A1 receptor in Sprague-Dawley rat whole brain membranes

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM110160
PNG
(8-(3-Phenylpropyl)-1,3,7-trimethylxanthine (9a))
Show SMILES Cn1c(CCCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H20N4O2/c1-19-13(11-7-10-12-8-5-4-6-9-12)18-15-14(19)16(22)21(3)17(23)20(15)2/h4-6,8-9H,7,10-11H2,1-3H3
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 6.80E+3n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-NECA from Adenosine A2A receptor in Sprague-Dawley rat striatal membranes

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50018171
PNG
(1,3,7-Trimethyl-8-phenyl-3,7-dihydro-purine-2,6-di...)
Show SMILES Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)-c1ccccc1
Show InChI InChI=1S/C14H14N4O2/c1-16-10-12(17(2)14(20)18(3)13(10)19)15-11(16)9-7-5-4-6-8-9/h4-8H,1-3H3
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 1.70E+4n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Binding affinity to Adenosine A1 receptor in rat brain tissue by radioligand displacement assay

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50018171
PNG
(1,3,7-Trimethyl-8-phenyl-3,7-dihydro-purine-2,6-di...)
Show SMILES Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)-c1ccccc1
Show InChI InChI=1S/C14H14N4O2/c1-16-10-12(17(2)14(20)18(3)13(10)19)15-11(16)9-7-5-4-6-8-9/h4-8H,1-3H3
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 2.70E+4n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Binding affinity to Adenosine A2A receptor in rat brain tissue by radioligand displacement assay

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50037429
PNG
(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)
Show SMILES Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H15ClN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b8-7+
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 2.80E+4n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N6-(2-phenylisopropyl)adenosine from Adenosine A1 receptor in rat cortical membranes

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM10849
PNG
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
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 5.00E+4n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Binding affinity to Adenosine A2A receptor in rat brain tissue by radioligand displacement assay

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM10849
PNG
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
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 5.50E+4n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Binding affinity to Adenosine A1 receptor in rat brain tissue by radioligand displacement assay

Bioorg Med Chem 23: 6641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.012
BindingDB Entry DOI: 10.7270/Q2571DTP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%