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PubMed code 1694546

Compile data set for download or QSAR
Found 64 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


(Homo sapiens (Human))		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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 0.470n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50007838
PNG
(8-Cyclohexyl-1,3-dipropyl-3,7-dihydro-purine-2,6-d...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCCC1
Show InChI InChI=1S/C17H26N4O2/c1-3-10-20-15-13(16(22)21(11-4-2)17(20)23)18-14(19-15)12-8-6-5-7-9-12/h12H,3-11H2,1-2H3,(H,18,19)
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 2.5n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50007837
PNG
(8-Cyclobutylamino-1,3-dipropyl-3,7-dihydro-purine-...)
Show SMILES CCCn1c2nc(NC3CCC3)[nH]c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C15H23N5O2/c1-3-8-19-12-11(13(21)20(9-4-2)15(19)22)17-14(18-12)16-10-6-5-7-10/h10H,3-9H2,1-2H3,(H2,16,17,18)
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 2.60n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50007854
PNG
(8-Cyclopentylamino-1,3-dipropyl-3,7-dihydro-purine...)
Show SMILES CCCn1c2nc(NC3CCCC3)[nH]c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C16H25N5O2/c1-3-9-20-13-12(14(22)21(10-4-2)16(20)23)18-15(19-13)17-11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H2,17,18,19)
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 8n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50007845
PNG
(CHEMBL134837 | N-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,...)
Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@H]1CC[C@H](CNC(C)=O)CC1 |wU:17.18,wD:20.22,(11.75,-19.34,;11.75,-17.81,;13.08,-17.03,;13.08,-15.5,;14.43,-14.72,;15.9,-15.18,;16.79,-13.93,;15.87,-12.69,;14.41,-13.17,;13.08,-12.41,;13.08,-10.86,;11.75,-13.19,;10.43,-12.41,;10.42,-10.88,;9.09,-10.1,;11.75,-14.72,;10.42,-15.5,;18.34,-13.93,;19.09,-12.58,;20.62,-12.58,;21.41,-13.91,;22.95,-13.91,;23.72,-15.24,;25.26,-15.24,;26.03,-16.57,;26.03,-13.91,;20.64,-15.26,;19.1,-15.26,)|
Show InChI InChI=1S/C20H31N5O3/c1-4-10-24-18-16(19(27)25(11-5-2)20(24)28)22-17(23-18)15-8-6-14(7-9-15)12-21-13(3)26/h14-15H,4-12H2,1-3H3,(H,21,26)(H,22,23)/t14-,15-
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 8n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50007853
PNG
(8-(2-Methyl-cyclopropyl)-1,3-dipropyl-3,7-dihydro-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC1C
Show InChI InChI=1S/C15H22N4O2/c1-4-6-18-13-11(14(20)19(7-5-2)15(18)21)16-12(17-13)10-8-9(10)3/h9-10H,4-8H2,1-3H3,(H,16,17)
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 11n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50007851
PNG
(8-Cyclohexylamino-1,3-dipropyl-3,7-dihydro-purine-...)
Show SMILES CCCn1c2nc(NC3CCCCC3)[nH]c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C17H27N5O2/c1-3-10-21-14-13(15(23)22(11-4-2)17(21)24)19-16(20-14)18-12-8-6-5-7-9-12/h12H,3-11H2,1-2H3,(H2,18,19,20)
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 14n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50007839
PNG
(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CC1)C(=O)N(C)CCN(C)C |(5.29,-15.74,;5.29,-14.04,;6.74,-13.19,;6.74,-11.49,;8.22,-10.65,;9.84,-11.18,;10.83,-9.79,;9.84,-8.41,;8.22,-8.94,;6.74,-8.08,;6.74,-6.38,;5.28,-8.94,;3.79,-8.08,;3.79,-6.38,;2.31,-5.51,;5.28,-10.65,;3.77,-11.53,;12.37,-9.79,;13.13,-11.12,;14.67,-11.12,;15.43,-9.79,;14.67,-8.46,;13.13,-8.46,;16.97,-9.79,;17.74,-8.46,;17.74,-11.12,;16.97,-12.45,;19.27,-11.12,;20.04,-12.45,;21.57,-12.45,;22.34,-13.77,;22.34,-11.12,)|
Show InChI InChI=1S/C23H38N6O3/c1-6-12-28-20-18(22(31)29(13-7-2)23(28)32)24-19(25-20)16-8-10-17(11-9-16)21(30)27(5)15-14-26(3)4/h16-17H,6-15H2,1-5H3,(H,24,25)
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 17n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50007839
PNG
(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CC1)C(=O)N(C)CCN(C)C |(5.29,-15.74,;5.29,-14.04,;6.74,-13.19,;6.74,-11.49,;8.22,-10.65,;9.84,-11.18,;10.83,-9.79,;9.84,-8.41,;8.22,-8.94,;6.74,-8.08,;6.74,-6.38,;5.28,-8.94,;3.79,-8.08,;3.79,-6.38,;2.31,-5.51,;5.28,-10.65,;3.77,-11.53,;12.37,-9.79,;13.13,-11.12,;14.67,-11.12,;15.43,-9.79,;14.67,-8.46,;13.13,-8.46,;16.97,-9.79,;17.74,-8.46,;17.74,-11.12,;16.97,-12.45,;19.27,-11.12,;20.04,-12.45,;21.57,-12.45,;22.34,-13.77,;22.34,-11.12,)|
Show InChI InChI=1S/C23H38N6O3/c1-6-12-28-20-18(22(31)29(13-7-2)23(28)32)24-19(25-20)16-8-10-17(11-9-16)21(30)27(5)15-14-26(3)4/h16-17H,6-15H2,1-5H3,(H,24,25)
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 17n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50007845
PNG
(CHEMBL134837 | N-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,...)
Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@H]1CC[C@H](CNC(C)=O)CC1 |wU:17.18,wD:20.22,(11.75,-19.34,;11.75,-17.81,;13.08,-17.03,;13.08,-15.5,;14.43,-14.72,;15.9,-15.18,;16.79,-13.93,;15.87,-12.69,;14.41,-13.17,;13.08,-12.41,;13.08,-10.86,;11.75,-13.19,;10.43,-12.41,;10.42,-10.88,;9.09,-10.1,;11.75,-14.72,;10.42,-15.5,;18.34,-13.93,;19.09,-12.58,;20.62,-12.58,;21.41,-13.91,;22.95,-13.91,;23.72,-15.24,;25.26,-15.24,;26.03,-16.57,;26.03,-13.91,;20.64,-15.26,;19.1,-15.26,)|
Show InChI InChI=1S/C20H31N5O3/c1-4-10-24-18-16(19(27)25(11-5-2)20(24)28)22-17(23-18)15-8-6-14(7-9-15)12-21-13(3)26/h14-15H,4-12H2,1-3H3,(H,21,26)(H,22,23)/t14-,15-
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 20n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonistic activity against adenosine A2 receptor in rat adipocytes

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50007855
PNG
(8-(4-Aminomethyl-cyclohexyl)-1,3-dipropyl-3,7-dihy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CN)CC1 |(4.82,-14.36,;4.82,-12.81,;6.15,-12.03,;6.15,-10.48,;7.5,-9.72,;8.98,-10.2,;9.88,-8.93,;8.98,-7.67,;7.5,-8.15,;6.15,-7.37,;6.15,-5.82,;4.82,-8.15,;3.46,-7.37,;3.46,-5.82,;2.11,-5.03,;4.82,-9.72,;3.44,-10.52,;11.28,-8.93,;11.98,-10.15,;13.38,-10.15,;14.08,-8.93,;15.48,-8.93,;16.18,-10.15,;13.38,-7.72,;11.98,-7.72,)|
Show InChI InChI=1S/C18H29N5O2/c1-3-9-22-16-14(17(24)23(10-4-2)18(22)25)20-15(21-16)13-7-5-12(11-19)6-8-13/h12-13H,3-11,19H2,1-2H3,(H,20,21)
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 20n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50007841
PNG
(8-Piperidin-1-yl-1,3-dipropyl-3,7-dihydro-purine-2...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)N1CCCCC1
Show InChI InChI=1S/C16H25N5O2/c1-3-8-20-13-12(14(22)21(9-4-2)16(20)23)17-15(18-13)19-10-6-5-7-11-19/h3-11H2,1-2H3,(H,17,18)
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 22n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50007833
PNG
(CHEMBL300983 | N-[3-(2,6-Dioxo-1,3-dipropyl-2,3,6,...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC(C1)NC(C)=O
Show InChI InChI=1S/C19H29N5O3/c1-4-9-23-17-15(18(26)24(10-5-2)19(23)27)21-16(22-17)13-7-6-8-14(11-13)20-12(3)25/h13-14H,4-11H2,1-3H3,(H,20,25)(H,21,22)
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 41n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50007848
PNG
(8-Cyclopropyl-1,3-dipropyl-3,7-dihydro-purine-2,6-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC1
Show InChI InChI=1S/C14H20N4O2/c1-3-7-17-12-10(15-11(16-12)9-5-6-9)13(19)18(8-4-2)14(17)20/h9H,3-8H2,1-2H3,(H,15,16)
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 42n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50007849
PNG
(8-(3-Amino-cyclohexyl)-1,3-dipropyl-3,7-dihydro-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC(N)C1
Show InChI InChI=1S/C17H27N5O2/c1-3-8-21-15-13(16(23)22(9-4-2)17(21)24)19-14(20-15)11-6-5-7-12(18)10-11/h11-12H,3-10,18H2,1-2H3,(H,19,20)
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 50n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50007842
PNG
(2-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1C(=O)N(C)CCN(C)C
Show InChI InChI=1S/C22H36N6O3/c1-6-11-27-19-17(21(30)28(12-7-2)22(27)31)23-18(24-19)15-9-8-10-16(15)20(29)26(5)14-13-25(3)4/h15-16H,6-14H2,1-5H3,(H,23,24)
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 53n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50007844
PNG
(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CC1)C(O)=O |(4.04,-16.35,;4.04,-14.79,;5.38,-14.03,;5.38,-12.47,;6.72,-11.7,;8.19,-12.19,;9.1,-10.93,;8.19,-9.66,;6.72,-10.15,;5.38,-9.36,;5.38,-7.81,;4.03,-10.15,;2.68,-9.36,;2.68,-7.81,;1.34,-7.04,;4.03,-11.7,;2.66,-12.51,;10.49,-10.93,;11.19,-12.13,;12.58,-12.13,;13.29,-10.93,;12.58,-9.72,;11.19,-9.72,;14.4,-10.91,;15.05,-11.61,;14.87,-9.66,)|
Show InChI InChI=1S/C18H26N4O4/c1-3-9-21-15-13(16(23)22(10-4-2)18(21)26)19-14(20-15)11-5-7-12(8-6-11)17(24)25/h11-12H,3-10H2,1-2H3,(H,19,20)(H,24,25)
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 59n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50007844
PNG
(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CC1)C(O)=O |(4.04,-16.35,;4.04,-14.79,;5.38,-14.03,;5.38,-12.47,;6.72,-11.7,;8.19,-12.19,;9.1,-10.93,;8.19,-9.66,;6.72,-10.15,;5.38,-9.36,;5.38,-7.81,;4.03,-10.15,;2.68,-9.36,;2.68,-7.81,;1.34,-7.04,;4.03,-11.7,;2.66,-12.51,;10.49,-10.93,;11.19,-12.13,;12.58,-12.13,;13.29,-10.93,;12.58,-9.72,;11.19,-9.72,;14.4,-10.91,;15.05,-11.61,;14.87,-9.66,)|
Show InChI InChI=1S/C18H26N4O4/c1-3-9-21-15-13(16(23)22(10-4-2)18(21)26)19-14(20-15)11-5-7-12(8-6-11)17(24)25/h11-12H,3-10H2,1-2H3,(H,19,20)(H,24,25)
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 59n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-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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 69n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonistic activity against adenosine A2 receptor in rat adipocytes

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50007840
PNG
(8-Cyclopentylmethyl-1,3-dipropyl-3,7-dihydro-purin...)
Show SMILES CCCn1c2nc(CC3CCCC3)[nH]c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C17H26N4O2/c1-3-9-20-15-14(16(22)21(10-4-2)17(20)23)18-13(19-15)11-12-7-5-6-8-12/h12H,3-11H2,1-2H3,(H,18,19)
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 69n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50007836
PNG
(CHEMBL56251 | N-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CC1)NC(C)=O |(1.85,-15.93,;1.85,-14.38,;3.18,-13.61,;3.18,-12.05,;4.53,-11.28,;6.01,-11.76,;6.92,-10.5,;6.01,-9.23,;4.53,-9.72,;3.18,-8.93,;3.18,-7.37,;1.84,-9.72,;.48,-8.93,;.48,-7.37,;-.88,-6.58,;1.84,-11.28,;.46,-12.08,;8.32,-10.5,;9.02,-9.29,;10.42,-9.29,;11.13,-10.5,;10.42,-11.71,;9.02,-11.71,;12.53,-10.5,;13.23,-9.29,;14.63,-9.29,;12.53,-8.06,)|
Show InChI InChI=1S/C19H29N5O3/c1-4-10-23-17-15(18(26)24(11-5-2)19(23)27)21-16(22-17)13-6-8-14(9-7-13)20-12(3)25/h13-14H,4-11H2,1-3H3,(H,20,25)(H,21,22)
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 70n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50007836
PNG
(CHEMBL56251 | N-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CC1)NC(C)=O |(1.85,-15.93,;1.85,-14.38,;3.18,-13.61,;3.18,-12.05,;4.53,-11.28,;6.01,-11.76,;6.92,-10.5,;6.01,-9.23,;4.53,-9.72,;3.18,-8.93,;3.18,-7.37,;1.84,-9.72,;.48,-8.93,;.48,-7.37,;-.88,-6.58,;1.84,-11.28,;.46,-12.08,;8.32,-10.5,;9.02,-9.29,;10.42,-9.29,;11.13,-10.5,;10.42,-11.71,;9.02,-11.71,;12.53,-10.5,;13.23,-9.29,;14.63,-9.29,;12.53,-8.06,)|
Show InChI InChI=1S/C19H29N5O3/c1-4-10-23-17-15(18(26)24(11-5-2)19(23)27)21-16(22-17)13-6-8-14(9-7-13)20-12(3)25/h13-14H,4-11H2,1-3H3,(H,20,25)(H,21,22)
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 70n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50007834
PNG
(1,3-Dipropyl-8-pyrrolidin-1-yl-3,7-dihydro-purine-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)N1CCCC1
Show InChI InChI=1S/C15H23N5O2/c1-3-7-19-12-11(13(21)20(8-4-2)15(19)22)16-14(17-12)18-9-5-6-10-18/h3-10H2,1-2H3,(H,16,17)
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 76n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50004587
PNG
(8-Adamantan-1-yl-1,3-dipropyl-3,7-dihydro-purine-2...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC(CC(C3)C1)C2 |TLB:24:19:26:25.23.22,24:23:26:18.19.20,20:21:25:18.19.24,THB:20:19:25:26.21.22|
Show InChI InChI=1S/C21H30N4O2/c1-3-5-24-17-16(18(26)25(6-4-2)20(24)27)22-19(23-17)21-10-13-7-14(11-21)9-15(8-13)12-21/h13-15H,3-12H2,1-2H3,(H,22,23)
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 82n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50007846
PNG
(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES CCCNC(=O)C1CCC(CC1)c1nc2n(CCC)c(=O)n(CCC)c(=O)c2[nH]1 |(21.57,-12.45,;20.04,-12.45,;19.27,-11.12,;17.74,-11.12,;16.97,-9.79,;17.74,-8.46,;15.43,-9.79,;14.67,-11.12,;13.13,-11.12,;12.37,-9.79,;13.13,-8.46,;14.67,-8.46,;10.83,-9.79,;9.84,-11.18,;8.22,-10.65,;6.74,-11.49,;6.74,-13.19,;5.29,-14.04,;5.29,-15.74,;5.28,-10.65,;3.77,-11.53,;5.28,-8.94,;3.79,-8.08,;3.79,-6.38,;2.31,-5.51,;6.74,-8.08,;6.74,-6.38,;8.22,-8.94,;9.84,-8.41,)|
Show InChI InChI=1S/C21H33N5O3/c1-4-11-22-19(27)15-9-7-14(8-10-15)17-23-16-18(24-17)25(12-5-2)21(29)26(13-6-3)20(16)28/h14-15H,4-13H2,1-3H3,(H,22,27)(H,23,24)
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 85n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50007850
PNG
((cis)2-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1C(O)=O
Show InChI InChI=1S/C17H24N4O4/c1-3-8-20-14-12(15(22)21(9-4-2)17(20)25)18-13(19-14)10-6-5-7-11(10)16(23)24/h10-11H,3-9H2,1-2H3,(H,18,19)(H,23,24)
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 100n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50007850
PNG
((cis)2-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1C(O)=O
Show InChI InChI=1S/C17H24N4O4/c1-3-8-20-14-12(15(22)21(9-4-2)17(20)25)18-13(19-14)10-6-5-7-11(10)16(23)24/h10-11H,3-9H2,1-2H3,(H,18,19)(H,23,24)
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 100n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50007838
PNG
(8-Cyclohexyl-1,3-dipropyl-3,7-dihydro-purine-2,6-d...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCCC1
Show InChI InChI=1S/C17H26N4O2/c1-3-10-20-15-13(16(22)21(11-4-2)17(20)23)18-14(19-15)12-8-6-5-7-9-12/h12H,3-11H2,1-2H3,(H,18,19)
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 120n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonistic activity against adenosine A2 receptor in rat adipocytes

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50007837
PNG
(8-Cyclobutylamino-1,3-dipropyl-3,7-dihydro-purine-...)
Show SMILES CCCn1c2nc(NC3CCC3)[nH]c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C15H23N5O2/c1-3-8-19-12-11(13(21)20(9-4-2)15(19)22)17-14(18-12)16-10-6-5-7-10/h10H,3-9H2,1-2H3,(H2,16,17,18)
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 120n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonistic activity against adenosine A2 receptor in rat adipocytes

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50007854
PNG
(8-Cyclopentylamino-1,3-dipropyl-3,7-dihydro-purine...)
Show SMILES CCCn1c2nc(NC3CCCC3)[nH]c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C16H25N5O2/c1-3-9-20-13-12(14(22)21(10-4-2)16(20)23)18-15(19-13)17-11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H2,17,18,19)
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 130n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonistic activity against adenosine A2 receptor in rat adipocytes

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50007847
PNG
(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CC1)C(=O)OC |(1.85,-15.93,;1.85,-14.38,;3.18,-13.61,;3.18,-12.05,;4.53,-11.28,;6.01,-11.76,;6.92,-10.5,;6.01,-9.23,;4.53,-9.72,;3.18,-8.93,;3.18,-7.37,;1.84,-9.72,;.48,-8.93,;.48,-7.37,;-.88,-6.58,;1.84,-11.28,;.46,-12.08,;8.32,-10.5,;9.02,-11.71,;10.42,-11.71,;11.13,-10.5,;10.42,-9.29,;9.02,-9.29,;12.23,-10.48,;12.7,-9.22,;12.9,-11.18,;14.31,-11.14,)|
Show InChI InChI=1S/C19H28N4O4/c1-4-10-22-16-14(17(24)23(11-5-2)19(22)26)20-15(21-16)12-6-8-13(9-7-12)18(25)27-3/h12-13H,4-11H2,1-3H3,(H,20,21)
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 130n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50007843
PNG
(8-(4-Amino-cyclohexyl)-1,3-dipropyl-3,7-dihydro-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(N)CC1 |(1.85,-15.93,;1.85,-14.38,;3.18,-13.61,;3.18,-12.05,;4.53,-11.28,;6.01,-11.76,;6.92,-10.5,;6.01,-9.23,;4.53,-9.72,;3.18,-8.93,;3.18,-7.37,;1.84,-9.72,;.48,-8.93,;.48,-7.37,;-.88,-6.58,;1.84,-11.28,;.46,-12.08,;8.32,-10.5,;9.02,-9.29,;10.42,-9.29,;11.13,-10.5,;12.53,-10.5,;10.42,-11.71,;9.02,-11.71,)|
Show InChI InChI=1S/C17H27N5O2/c1-3-9-21-15-13(16(23)22(10-4-2)17(21)24)19-14(20-15)11-5-7-12(18)8-6-11/h11-12H,3-10,18H2,1-2H3,(H,19,20)
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 160n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50007843
PNG
(8-(4-Amino-cyclohexyl)-1,3-dipropyl-3,7-dihydro-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(N)CC1 |(1.85,-15.93,;1.85,-14.38,;3.18,-13.61,;3.18,-12.05,;4.53,-11.28,;6.01,-11.76,;6.92,-10.5,;6.01,-9.23,;4.53,-9.72,;3.18,-8.93,;3.18,-7.37,;1.84,-9.72,;.48,-8.93,;.48,-7.37,;-.88,-6.58,;1.84,-11.28,;.46,-12.08,;8.32,-10.5,;9.02,-9.29,;10.42,-9.29,;11.13,-10.5,;12.53,-10.5,;10.42,-11.71,;9.02,-11.71,)|
Show InChI InChI=1S/C17H27N5O2/c1-3-9-21-15-13(16(23)22(10-4-2)17(21)24)19-14(20-15)11-5-7-12(18)8-6-11/h11-12H,3-10,18H2,1-2H3,(H,19,20)
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 160n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50007848
PNG
(8-Cyclopropyl-1,3-dipropyl-3,7-dihydro-purine-2,6-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC1
Show InChI InChI=1S/C14H20N4O2/c1-3-7-17-12-10(15-11(16-12)9-5-6-9)13(19)18(8-4-2)14(17)20/h9H,3-8H2,1-2H3,(H,15,16)
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 240n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonistic activity against adenosine A2 receptor in rat adipocytes

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50007839
PNG
(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CC1)C(=O)N(C)CCN(C)C |(5.29,-15.74,;5.29,-14.04,;6.74,-13.19,;6.74,-11.49,;8.22,-10.65,;9.84,-11.18,;10.83,-9.79,;9.84,-8.41,;8.22,-8.94,;6.74,-8.08,;6.74,-6.38,;5.28,-8.94,;3.79,-8.08,;3.79,-6.38,;2.31,-5.51,;5.28,-10.65,;3.77,-11.53,;12.37,-9.79,;13.13,-11.12,;14.67,-11.12,;15.43,-9.79,;14.67,-8.46,;13.13,-8.46,;16.97,-9.79,;17.74,-8.46,;17.74,-11.12,;16.97,-12.45,;19.27,-11.12,;20.04,-12.45,;21.57,-12.45,;22.34,-13.77,;22.34,-11.12,)|
Show InChI InChI=1S/C23H38N6O3/c1-6-12-28-20-18(22(31)29(13-7-2)23(28)32)24-19(25-20)16-8-10-17(11-9-16)21(30)27(5)15-14-26(3)4/h16-17H,6-15H2,1-5H3,(H,24,25)
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 260n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonistic activity against adenosine A2 receptor in rat adipocytes

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50007839
PNG
(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CC1)C(=O)N(C)CCN(C)C |(5.29,-15.74,;5.29,-14.04,;6.74,-13.19,;6.74,-11.49,;8.22,-10.65,;9.84,-11.18,;10.83,-9.79,;9.84,-8.41,;8.22,-8.94,;6.74,-8.08,;6.74,-6.38,;5.28,-8.94,;3.79,-8.08,;3.79,-6.38,;2.31,-5.51,;5.28,-10.65,;3.77,-11.53,;12.37,-9.79,;13.13,-11.12,;14.67,-11.12,;15.43,-9.79,;14.67,-8.46,;13.13,-8.46,;16.97,-9.79,;17.74,-8.46,;17.74,-11.12,;16.97,-12.45,;19.27,-11.12,;20.04,-12.45,;21.57,-12.45,;22.34,-13.77,;22.34,-11.12,)|
Show InChI InChI=1S/C23H38N6O3/c1-6-12-28-20-18(22(31)29(13-7-2)23(28)32)24-19(25-20)16-8-10-17(11-9-16)21(30)27(5)15-14-26(3)4/h16-17H,6-15H2,1-5H3,(H,24,25)
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 260n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonistic activity against adenosine A2 receptor in rat adipocytes

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50007855
PNG
(8-(4-Aminomethyl-cyclohexyl)-1,3-dipropyl-3,7-dihy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CN)CC1 |(4.82,-14.36,;4.82,-12.81,;6.15,-12.03,;6.15,-10.48,;7.5,-9.72,;8.98,-10.2,;9.88,-8.93,;8.98,-7.67,;7.5,-8.15,;6.15,-7.37,;6.15,-5.82,;4.82,-8.15,;3.46,-7.37,;3.46,-5.82,;2.11,-5.03,;4.82,-9.72,;3.44,-10.52,;11.28,-8.93,;11.98,-10.15,;13.38,-10.15,;14.08,-8.93,;15.48,-8.93,;16.18,-10.15,;13.38,-7.72,;11.98,-7.72,)|
Show InChI InChI=1S/C18H29N5O2/c1-3-9-22-16-14(17(24)23(10-4-2)18(22)25)20-15(21-16)13-7-5-12(11-19)6-8-13/h12-13H,3-11,19H2,1-2H3,(H,20,21)
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 370n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonistic activity against adenosine A2 receptor in rat adipocytes

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50007841
PNG
(8-Piperidin-1-yl-1,3-dipropyl-3,7-dihydro-purine-2...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)N1CCCCC1
Show InChI InChI=1S/C16H25N5O2/c1-3-8-20-13-12(14(22)21(9-4-2)16(20)23)17-15(18-13)19-10-6-5-7-11-19/h3-11H2,1-2H3,(H,17,18)
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 490n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonistic activity against adenosine A2 receptor in rat adipocytes

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50007847
PNG
(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CC1)C(=O)OC |(1.85,-15.93,;1.85,-14.38,;3.18,-13.61,;3.18,-12.05,;4.53,-11.28,;6.01,-11.76,;6.92,-10.5,;6.01,-9.23,;4.53,-9.72,;3.18,-8.93,;3.18,-7.37,;1.84,-9.72,;.48,-8.93,;.48,-7.37,;-.88,-6.58,;1.84,-11.28,;.46,-12.08,;8.32,-10.5,;9.02,-11.71,;10.42,-11.71,;11.13,-10.5,;10.42,-9.29,;9.02,-9.29,;12.23,-10.48,;12.7,-9.22,;12.9,-11.18,;14.31,-11.14,)|
Show InChI InChI=1S/C19H28N4O4/c1-4-10-22-16-14(17(24)23(11-5-2)19(22)26)20-15(21-16)12-6-8-13(9-7-12)18(25)27-3/h12-13H,4-11H2,1-3H3,(H,20,21)
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 560n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonistic activity against adenosine A2 receptor in rat adipocytes

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50007856
PNG
(2-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC1C(O)=O
Show InChI InChI=1S/C16H22N4O4/c1-3-7-19-13-11(14(21)20(8-4-2)16(19)24)17-12(18-13)9-5-6-10(9)15(22)23/h9-10H,3-8H2,1-2H3,(H,17,18)(H,22,23)
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 660n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50007851
PNG
(8-Cyclohexylamino-1,3-dipropyl-3,7-dihydro-purine-...)
Show SMILES CCCn1c2nc(NC3CCCCC3)[nH]c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C17H27N5O2/c1-3-10-21-14-13(15(23)22(11-4-2)17(21)24)19-16(20-14)18-12-8-6-5-7-9-12/h12H,3-11H2,1-2H3,(H2,18,19,20)
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 680n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonistic activity against adenosine A2 receptor in rat adipocytes

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50007836
PNG
(CHEMBL56251 | N-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CC1)NC(C)=O |(1.85,-15.93,;1.85,-14.38,;3.18,-13.61,;3.18,-12.05,;4.53,-11.28,;6.01,-11.76,;6.92,-10.5,;6.01,-9.23,;4.53,-9.72,;3.18,-8.93,;3.18,-7.37,;1.84,-9.72,;.48,-8.93,;.48,-7.37,;-.88,-6.58,;1.84,-11.28,;.46,-12.08,;8.32,-10.5,;9.02,-9.29,;10.42,-9.29,;11.13,-10.5,;10.42,-11.71,;9.02,-11.71,;12.53,-10.5,;13.23,-9.29,;14.63,-9.29,;12.53,-8.06,)|
Show InChI InChI=1S/C19H29N5O3/c1-4-10-23-17-15(18(26)24(11-5-2)19(23)27)21-16(22-17)13-6-8-14(9-7-13)20-12(3)25/h13-14H,4-11H2,1-3H3,(H,20,25)(H,21,22)
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 1.00E+3n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50007833
PNG
(CHEMBL300983 | N-[3-(2,6-Dioxo-1,3-dipropyl-2,3,6,...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC(C1)NC(C)=O
Show InChI InChI=1S/C19H29N5O3/c1-4-9-23-17-15(18(26)24(10-5-2)19(23)27)21-16(22-17)13-7-6-8-14(11-13)20-12(3)25/h13-14H,4-11H2,1-3H3,(H,20,25)(H,21,22)
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 1.00E+3n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonistic activity against adenosine A2 receptor in rat adipocytes

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50007844
PNG
(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CC1)C(O)=O |(4.04,-16.35,;4.04,-14.79,;5.38,-14.03,;5.38,-12.47,;6.72,-11.7,;8.19,-12.19,;9.1,-10.93,;8.19,-9.66,;6.72,-10.15,;5.38,-9.36,;5.38,-7.81,;4.03,-10.15,;2.68,-9.36,;2.68,-7.81,;1.34,-7.04,;4.03,-11.7,;2.66,-12.51,;10.49,-10.93,;11.19,-12.13,;12.58,-12.13,;13.29,-10.93,;12.58,-9.72,;11.19,-9.72,;14.4,-10.91,;15.05,-11.61,;14.87,-9.66,)|
Show InChI InChI=1S/C18H26N4O4/c1-3-9-21-15-13(16(23)22(10-4-2)18(21)26)19-14(20-15)11-5-7-12(8-6-11)17(24)25/h11-12H,3-10H2,1-2H3,(H,19,20)(H,24,25)
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 1.50E+3n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50007834
PNG
(1,3-Dipropyl-8-pyrrolidin-1-yl-3,7-dihydro-purine-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)N1CCCC1
Show InChI InChI=1S/C15H23N5O2/c1-3-7-19-12-11(13(21)20(8-4-2)15(19)22)16-14(17-12)18-9-5-6-10-18/h3-10H2,1-2H3,(H,16,17)
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>3.00E+3n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonistic activity against adenosine A2 receptor in rat adipocytes

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50007842
PNG
(2-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1C(=O)N(C)CCN(C)C
Show InChI InChI=1S/C22H36N6O3/c1-6-11-27-19-17(21(30)28(12-7-2)22(27)31)23-18(24-19)15-9-8-10-16(15)20(29)26(5)14-13-25(3)4/h15-16H,6-14H2,1-5H3,(H,23,24)
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>3.00E+3n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50007846
PNG
(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES CCCNC(=O)C1CCC(CC1)c1nc2n(CCC)c(=O)n(CCC)c(=O)c2[nH]1 |(21.57,-12.45,;20.04,-12.45,;19.27,-11.12,;17.74,-11.12,;16.97,-9.79,;17.74,-8.46,;15.43,-9.79,;14.67,-11.12,;13.13,-11.12,;12.37,-9.79,;13.13,-8.46,;14.67,-8.46,;10.83,-9.79,;9.84,-11.18,;8.22,-10.65,;6.74,-11.49,;6.74,-13.19,;5.29,-14.04,;5.29,-15.74,;5.28,-10.65,;3.77,-11.53,;5.28,-8.94,;3.79,-8.08,;3.79,-6.38,;2.31,-5.51,;6.74,-8.08,;6.74,-6.38,;8.22,-8.94,;9.84,-8.41,)|
Show InChI InChI=1S/C21H33N5O3/c1-4-11-22-19(27)15-9-7-14(8-10-15)17-23-16-18(24-17)25(12-5-2)21(29)26(13-6-3)20(16)28/h14-15H,4-13H2,1-3H3,(H,22,27)(H,23,24)
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>3.00E+3n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonistic activity against adenosine A2 receptor in rat adipocytes

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50004587
PNG
(8-Adamantan-1-yl-1,3-dipropyl-3,7-dihydro-purine-2...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC(CC(C3)C1)C2 |TLB:24:19:26:25.23.22,24:23:26:18.19.20,20:21:25:18.19.24,THB:20:19:25:26.21.22|
Show InChI InChI=1S/C21H30N4O2/c1-3-5-24-17-16(18(26)25(6-4-2)20(24)27)22-19(23-17)21-10-13-7-14(11-21)9-15(8-13)12-21/h13-15H,3-12H2,1-2H3,(H,22,23)
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>5.00E+3n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonistic activity against adenosine A2 receptor in rat adipocytes

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50007843
PNG
(8-(4-Amino-cyclohexyl)-1,3-dipropyl-3,7-dihydro-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(N)CC1 |(1.85,-15.93,;1.85,-14.38,;3.18,-13.61,;3.18,-12.05,;4.53,-11.28,;6.01,-11.76,;6.92,-10.5,;6.01,-9.23,;4.53,-9.72,;3.18,-8.93,;3.18,-7.37,;1.84,-9.72,;.48,-8.93,;.48,-7.37,;-.88,-6.58,;1.84,-11.28,;.46,-12.08,;8.32,-10.5,;9.02,-9.29,;10.42,-9.29,;11.13,-10.5,;12.53,-10.5,;10.42,-11.71,;9.02,-11.71,)|
Show InChI InChI=1S/C17H27N5O2/c1-3-9-21-15-13(16(23)22(10-4-2)17(21)24)19-14(20-15)11-5-7-12(18)8-6-11/h11-12H,3-10,18H2,1-2H3,(H,19,20)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonistic activity against adenosine A2 receptor in rat adipocytes

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50007853
PNG
(8-(2-Methyl-cyclopropyl)-1,3-dipropyl-3,7-dihydro-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC1C
Show InChI InChI=1S/C15H22N4O2/c1-4-6-18-13-11(14(20)19(7-5-2)15(18)21)16-12(17-13)10-8-9(10)3/h9-10H,4-8H2,1-3H3,(H,16,17)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonistic activity against adenosine A2 receptor in rat adipocytes

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50007852
PNG
(2-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1=C(CCC1)C(O)=O |t:19|
Show InChI InChI=1S/C17H22N4O4/c1-3-8-20-14-12(15(22)21(9-4-2)17(20)25)18-13(19-14)10-6-5-7-11(10)16(23)24/h3-9H2,1-2H3,(H,18,19)(H,23,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50007849
PNG
(8-(3-Amino-cyclohexyl)-1,3-dipropyl-3,7-dihydro-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC(N)C1
Show InChI InChI=1S/C17H27N5O2/c1-3-8-21-15-13(16(23)22(9-4-2)17(21)24)19-14(20-15)11-6-5-7-12(18)10-11/h11-12H,3-10,18H2,1-2H3,(H,19,20)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonistic activity against adenosine A2 receptor in rat adipocytes

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50007852
PNG
(2-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1=C(CCC1)C(O)=O |t:19|
Show InChI InChI=1S/C17H22N4O4/c1-3-8-20-14-12(15(22)21(9-4-2)17(20)25)18-13(19-14)10-6-5-7-11(10)16(23)24/h3-9H2,1-2H3,(H,18,19)(H,23,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonistic activity against adenosine A2 receptor in rat adipocytes

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50007856
PNG
(2-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC1C(O)=O
Show InChI InChI=1S/C16H22N4O4/c1-3-7-19-13-11(14(21)20(8-4-2)16(19)24)17-12(18-13)9-5-6-10(9)15(22)23/h9-10H,3-8H2,1-2H3,(H,17,18)(H,22,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonistic activity against adenosine A2 receptor in rat adipocytes

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50007840
PNG
(8-Cyclopentylmethyl-1,3-dipropyl-3,7-dihydro-purin...)
Show SMILES CCCn1c2nc(CC3CCCC3)[nH]c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C17H26N4O2/c1-3-9-20-15-14(16(22)21(10-4-2)17(20)23)18-13(19-15)11-12-7-5-6-8-12/h12H,3-11H2,1-2H3,(H,18,19)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonistic activity against adenosine A2 receptor in rat adipocytes

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50007835
PNG
(2-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCCC1C(O)=O
Show InChI InChI=1S/C18H26N4O4/c1-3-9-21-15-13(16(23)22(10-4-2)18(21)26)19-14(20-15)11-7-5-6-8-12(11)17(24)25/h11-12H,3-10H2,1-2H3,(H,19,20)(H,24,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50007842
PNG
(2-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1C(=O)N(C)CCN(C)C
Show InChI InChI=1S/C22H36N6O3/c1-6-11-27-19-17(21(30)28(12-7-2)22(27)31)23-18(24-19)15-9-8-10-16(15)20(29)26(5)14-13-25(3)4/h15-16H,6-14H2,1-5H3,(H,23,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50007835
PNG
(2-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCCC1C(O)=O
Show InChI InChI=1S/C18H26N4O4/c1-3-9-21-15-13(16(23)22(10-4-2)18(21)26)19-14(20-15)11-7-5-6-8-12(11)17(24)25/h11-12H,3-10H2,1-2H3,(H,19,20)(H,24,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50007836
PNG
(CHEMBL56251 | N-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CC1)NC(C)=O |(1.85,-15.93,;1.85,-14.38,;3.18,-13.61,;3.18,-12.05,;4.53,-11.28,;6.01,-11.76,;6.92,-10.5,;6.01,-9.23,;4.53,-9.72,;3.18,-8.93,;3.18,-7.37,;1.84,-9.72,;.48,-8.93,;.48,-7.37,;-.88,-6.58,;1.84,-11.28,;.46,-12.08,;8.32,-10.5,;9.02,-9.29,;10.42,-9.29,;11.13,-10.5,;10.42,-11.71,;9.02,-11.71,;12.53,-10.5,;13.23,-9.29,;14.63,-9.29,;12.53,-8.06,)|
Show InChI InChI=1S/C19H29N5O3/c1-4-10-23-17-15(18(26)24(11-5-2)19(23)27)21-16(22-17)13-6-8-14(9-7-13)20-12(3)25/h13-14H,4-11H2,1-3H3,(H,20,25)(H,21,22)
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Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50007842
PNG
(2-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1C(=O)N(C)CCN(C)C
Show InChI InChI=1S/C22H36N6O3/c1-6-11-27-19-17(21(30)28(12-7-2)22(27)31)23-18(24-19)15-9-8-10-16(15)20(29)26(5)14-13-25(3)4/h15-16H,6-14H2,1-5H3,(H,23,24)
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Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50007844
PNG
(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CC1)C(O)=O |(4.04,-16.35,;4.04,-14.79,;5.38,-14.03,;5.38,-12.47,;6.72,-11.7,;8.19,-12.19,;9.1,-10.93,;8.19,-9.66,;6.72,-10.15,;5.38,-9.36,;5.38,-7.81,;4.03,-10.15,;2.68,-9.36,;2.68,-7.81,;1.34,-7.04,;4.03,-11.7,;2.66,-12.51,;10.49,-10.93,;11.19,-12.13,;12.58,-12.13,;13.29,-10.93,;12.58,-9.72,;11.19,-9.72,;14.4,-10.91,;15.05,-11.61,;14.87,-9.66,)|
Show InChI InChI=1S/C18H26N4O4/c1-3-9-21-15-13(16(23)22(10-4-2)18(21)26)19-14(20-15)11-5-7-12(8-6-11)17(24)25/h11-12H,3-10H2,1-2H3,(H,19,20)(H,24,25)
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Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor in human platelets

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50007835
PNG
(2-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCCC1C(O)=O
Show InChI InChI=1S/C18H26N4O4/c1-3-9-21-15-13(16(23)22(10-4-2)18(21)26)19-14(20-15)11-7-5-6-8-12(11)17(24)25/h11-12H,3-10H2,1-2H3,(H,19,20)(H,24,25)
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Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonistic activity against adenosine A2 receptor in rat adipocytes

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50007850
PNG
((cis)2-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1C(O)=O
Show InChI InChI=1S/C17H24N4O4/c1-3-8-20-14-12(15(22)21(9-4-2)17(20)25)18-13(19-14)10-6-5-7-11(10)16(23)24/h10-11H,3-9H2,1-2H3,(H,18,19)(H,23,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonistic activity against adenosine A2 receptor in rat adipocytes

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50007835
PNG
(2-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCCC1C(O)=O
Show InChI InChI=1S/C18H26N4O4/c1-3-9-21-15-13(16(23)22(10-4-2)18(21)26)19-14(20-15)11-7-5-6-8-12(11)17(24)25/h11-12H,3-10H2,1-2H3,(H,19,20)(H,24,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonistic activity against adenosine A2 receptor in rat adipocytes

J Med Chem 33: 1906-10 (1990)


BindingDB Entry DOI: 10.7270/Q22F7MD6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%