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Compile Data Set for Download or QSAR

Found 116 hits Enz. Inhib. hit(s) with Target = 'Adenosine A2a receptor'   
Target
(Institution)
LigandTarget
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 A2a receptor


(GUINEA PIG)
BDBM50118810
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-1-phenyl...)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)/t11-,13-,15-,16-,19-/m1/s1
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3.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist binding of N6-cyclohexyl-[3H]-adenosine to guinea pig brain


J Med Chem 25: 197-207 (1982)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(GUINEA PIG)
BDBM50009552
PNG
(2-[6-Amino-2-(2-morpholin-4-yl-ethylamino)-purin-9...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)ncnc12
Show InChI InChI=1S/C16H23N5O4/c22-6-10-12(23)13(24)16(25-10)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-1-3-5-9/h7-10,12-13,16,22-24H,1-6H2,(H,17,18,20)/t10-,12-,13-,16-/m1/s1
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5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist binding of N6-cyclohexyl-[3H]-adenosine to guinea pig brain


J Med Chem 25: 197-207 (1982)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(GUINEA PIG)
BDBM50389797
PNG
(CHEMBL261482)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1
Show InChI InChI=1S/C13H16N6O4/c14-10-6-11(16-3-15-10)19(4-17-6)13-8(21)7(20)9(23-13)12(22)18-5-1-2-5/h3-5,7-9,13,20-21H,1-2H2,(H,18,22)(H2,14,15,16)/t7-,8+,9-,13+/m0/s1
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8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist binding of N6-cyclohexyl-[3H]-adenosine to guinea pig brain


J Med Chem 25: 197-207 (1982)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(GUINEA PIG)
BDBM50009525
PNG
(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1
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8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist binding of N6-cyclohexyl-[3H]-adenosine to guinea pig brain


J Med Chem 25: 197-207 (1982)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(GUINEA PIG)
BDBM82010
PNG
(1,3-Dipropyl-8-(4-hydroxyphenyl)xanthine | 8-(4-Hy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(O)cc1
Show InChI InChI=1S/C17H20N4O3/c1-3-9-20-15-13(16(23)21(10-4-2)17(20)24)18-14(19-15)11-5-7-12(22)8-6-11/h5-8,22H,3-4,9-10H2,1-2H3,(H,18,19)
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50n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism of cyclic [3H]AMP accumulation in guinea pig cerebral cortical slices (elicited by 15 uM 2-chloroadenosine at adenosine A2 receptor)


J Med Chem 28: 487-92 (1985)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(GUINEA PIG)
BDBM50018151
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
Show InChI InChI=1S/C18H20N4O4/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/h5-8H,3-4,9-10H2,1-2H3,(H,19,20)(H,24,25)
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110n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism of cyclic [3H]AMP accumulation in guinea pig cerebral cortical slices (elicited by 15 uM 2-chloroadenosine at adenosine A2 receptor)


J Med Chem 28: 487-92 (1985)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(GUINEA PIG)
BDBM50080398
PNG
((2R,3S,4R,5R)-2-Hydroxymethyl-5-[6-((S)-1-methyl-2...)
Show SMILES C[C@@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)/t11-,13+,15+,16+,19+/m0/s1
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130n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist binding of N6-cyclohexyl-[3H]-adenosine to guinea pig brain


J Med Chem 25: 197-207 (1982)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(GUINEA PIG)
BDBM50020852
PNG
(8-(4-Amino-phenyl)-1,3-dimethyl-3,7-dihydro-purine...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(N)cc1
Show InChI InChI=1S/C13H13N5O2/c1-17-11-9(12(19)18(2)13(17)20)15-10(16-11)7-3-5-8(14)6-4-7/h3-6H,14H2,1-2H3,(H,15,16)
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130n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism of cyclic [3H]AMP accumulation in guinea pig cerebral cortical slices (elicited by 15 uM 2-chloroadenosine at adenosine A2 receptor)


J Med Chem 28: 487-92 (1985)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(GUINEA PIG)
BDBM82012
PNG
(8-(4-Hydroxy-phenyl)-1,3-dimethyl-3,7-dihydro-puri...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(O)cc1
Show InChI InChI=1S/C13H12N4O3/c1-16-11-9(12(19)17(2)13(16)20)14-10(15-11)7-3-5-8(18)6-4-7/h3-6,18H,1-2H3,(H,14,15)
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130n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism of cyclic [3H]AMP accumulation in guinea pig cerebral cortical slices (elicited by 15 uM 2-chloroadenosine at adenosine A2 receptor)


J Med Chem 28: 487-92 (1985)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(GUINEA PIG)
BDBM50003019
PNG
(8-(Hexahydro-2,5-methano-pentalen-3a-yl)-1,3-dipro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC1CC(C2)C3
Show InChI InChI=1S/C20H28N4O2/c1-3-5-23-16-15(17(25)24(6-4-2)19(23)26)21-18(22-16)20-10-12-7-13(11-20)9-14(20)8-12/h12-14H,3-11H2,1-2H3,(H,21,22)
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230n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity to guinea pig adenosine A2A receptor


Bioorg Med Chem 18: 2195-203 (2010)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(GUINEA PIG)
BDBM82025
PNG
(1,3-Dipropyl-8-phenylxanthine | 8-Phenyl-1,3-dipro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccccc1
Show InChI InChI=1S/C17H20N4O2/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/h5-9H,3-4,10-11H2,1-2H3,(H,18,19)
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300n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism of cyclic [3H]AMP accumulation in guinea pig cerebral cortical slices (elicited by 15 uM 2-chloroadenosine at adenosine A2 receptor)


J Med Chem 28: 487-92 (1985)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(GUINEA PIG)
BDBM50025578
PNG
(1,3-Dipropyl-7-prop-2-ynyl-3,7-dihydro-purine-2,6-...)
Show SMILES CCCn1c2ncn(CC#C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C14H18N4O2/c1-4-7-16-10-15-12-11(16)13(19)18(9-6-3)14(20)17(12)8-5-2/h1,10H,5-9H2,2-3H3
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400n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to antagonise cyclic [3H]-AMP accumulation in [3H]-adenine-labeled guinea pig cerebral cortical slices.


J Med Chem 29: 1305-8 (1987)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(GUINEA PIG)
BDBM82015
PNG
(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1
Show InChI InChI=1S/C13H12N4O2/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,15)
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400n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist binding of N6-cyclohexyl-[3H]-adenosine to guinea pig brain


J Med Chem 25: 197-207 (1982)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(Oryctolagus cuniculus (rabbit))
BDBM99205
PNG
(US8501708, 29)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC[C@H]3OCc3cccc(F)c3)ncnc12
Show InChI InChI=1S/C22H26FN5O5/c23-13-4-1-3-12(7-13)9-32-15-6-2-5-14(15)27-20-17-21(25-10-24-20)28(11-26-17)22-19(31)18(30)16(8-29)33-22/h1,3-4,7,10-11,14-16,18-19,22,29-31H,2,5-6,8-9H2,(H,24,25,27)/t14?,15-,16-,18-,19-,22-/m1/s1
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US Patent
422n/an/an/an/an/an/an/an/a



Inotek Pharmaceuticals Corporation

US Patent


Assay Description
The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.


US Patent US8501708 (2013)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(Oryctolagus cuniculus (rabbit))
BDBM99192
PNG
(US8501708, 12)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC[C@H]3OCc3ccccc3)ncnc12
Show InChI InChI=1S/C22H27N5O5/c28-9-16-18(29)19(30)22(32-16)27-12-25-17-20(23-11-24-21(17)27)26-14-7-4-8-15(14)31-10-13-5-2-1-3-6-13/h1-3,5-6,11-12,14-16,18-19,22,28-30H,4,7-10H2,(H,23,24,26)/t14?,15-,16-,18-,19-,22?/m1/s1
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US Patent
476n/an/an/an/an/an/an/an/a



Inotek Pharmaceuticals Corporation

US Patent


Assay Description
The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.


US Patent US8501708 (2013)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(GUINEA PIG)
BDBM82015
PNG
(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1
Show InChI InChI=1S/C13H12N4O2/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,15)
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550n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism of cyclic [3H]AMP accumulation in guinea pig cerebral cortical slices (elicited by 15 uM 2-chloroadenosine at adenosine A2 receptor)


J Med Chem 28: 487-92 (1985)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(GUINEA PIG)
BDBM50025571
PNG
(7-Allyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione ...)
Show SMILES CCCn1c2ncn(CC=C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C14H20N4O2/c1-4-7-16-10-15-12-11(16)13(19)18(9-6-3)14(20)17(12)8-5-2/h4,10H,1,5-9H2,2-3H3
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700n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to antagonise cyclic [3H]-AMP accumulation in [3H]-adenine-labeled guinea pig cerebral cortical slices.


J Med Chem 29: 1305-8 (1987)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(GUINEA PIG)
BDBM50018162
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)S(O)(=O)=O
Show InChI InChI=1S/C17H20N4O5S/c1-3-9-20-15-13(16(22)21(10-4-2)17(20)23)18-14(19-15)11-5-7-12(8-6-11)27(24,25)26/h5-8H,3-4,9-10H2,1-2H3,(H,18,19)(H,24,25,26)
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710n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism of cyclic [3H]AMP accumulation in guinea pig cerebral cortical slices (elicited by 15 uM 2-chloroadenosine at adenosine A2 receptor)


J Med Chem 28: 487-92 (1985)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(GUINEA PIG)
BDBM50020849
PNG
(8-(3-Amino-phenyl)-1,3-dimethyl-3,7-dihydro-purine...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(N)c1
Show InChI InChI=1S/C13H13N5O2/c1-17-11-9(12(19)18(2)13(17)20)15-10(16-11)7-4-3-5-8(14)6-7/h3-6H,14H2,1-2H3,(H,15,16)
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900n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism of cyclic [3H]AMP accumulation in guinea pig cerebral cortical slices (elicited by 15 uM 2-chloroadenosine at adenosine A2 receptor)


J Med Chem 28: 487-92 (1985)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(Mus musculus)
BDBM50118812
PNG
((2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylami...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]2-[p-(2-carboxyethyl)phenyl-ethylamino]-5'-N-ethylcarboxamidoadenosine from mouse recombinant adenosine A2A receptor expressed in...


Bioorg Med Chem Lett 18: 2813-9 (2008)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(GUINEA PIG)
BDBM82013
PNG
(8-(2-Amino-4-chloro-phenyl)-1,3-dipropyl-3,7-dihyd...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(Cl)cc1N
Show InChI InChI=1S/C17H20ClN5O2/c1-3-7-22-15-13(16(24)23(8-4-2)17(22)25)20-14(21-15)11-6-5-10(18)9-12(11)19/h5-6,9H,3-4,7-8,19H2,1-2H3,(H,20,21)
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1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism of cyclic [3H]AMP accumulation in guinea pig cerebral cortical slices (elicited by 15 uM 2-chloroadenosine at adenosine A2 receptor)


J Med Chem 28: 487-92 (1985)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(GUINEA PIG)
BDBM50020846
PNG
(8-(3-Hydroxy-phenyl)-1,3-dimethyl-3,7-dihydro-puri...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(O)c1
Show InChI InChI=1S/C13H12N4O3/c1-16-11-9(12(19)17(2)13(16)20)14-10(15-11)7-4-3-5-8(18)6-7/h3-6,18H,1-2H3,(H,14,15)
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1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism of cyclic [3H]AMP accumulation in guinea pig cerebral cortical slices (elicited by 15 uM 2-chloroadenosine at adenosine A2 receptor)


J Med Chem 28: 487-92 (1985)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(GUINEA PIG)
BDBM50001500
PNG
(7-Methyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione...)
Show SMILES CCCn1c2ncn(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C12H18N4O2/c1-4-6-15-10-9(14(3)8-13-10)11(17)16(7-5-2)12(15)18/h8H,4-7H2,1-3H3
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1.20E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to antagonise cyclic [3H]-AMP accumulation in [3H]-adenine-labeled guinea pig cerebral cortical slices.


J Med Chem 29: 1305-8 (1987)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(GUINEA PIG)
BDBM50025580
PNG
(1,3,7-Tripropyl-3,7-dihydro-purine-2,6-dione | CHE...)
Show SMILES CCCn1cnc2n(CCC)c(=O)n(CCC)c(=O)c12
Show InChI InChI=1S/C14H22N4O2/c1-4-7-16-10-15-12-11(16)13(19)18(9-6-3)14(20)17(12)8-5-2/h10H,4-9H2,1-3H3
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1.40E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to antagonise cyclic [3H]-AMP accumulation in [3H]-adenine-labeled guinea pig cerebral cortical slices.


J Med Chem 29: 1305-8 (1987)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(GUINEA PIG)
BDBM50014262
PNG
(7-Benzyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione...)
Show SMILES CCCn1c2ncn(Cc3ccccc3)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C18H22N4O2/c1-3-10-21-16-15(17(23)22(11-4-2)18(21)24)20(13-19-16)12-14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3
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1.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to antagonise cyclic [3H]-AMP accumulation in [3H]-adenine-labeled guinea pig cerebral cortical slices.


J Med Chem 29: 1305-8 (1987)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(GUINEA PIG)
BDBM50020847
PNG
(8-(2-Amino-phenyl)-1,3-dimethyl-3,7-dihydro-purine...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1N
Show InChI InChI=1S/C13H13N5O2/c1-17-11-9(12(19)18(2)13(17)20)15-10(16-11)7-5-3-4-6-8(7)14/h3-6H,14H2,1-2H3,(H,15,16)
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1.70E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism of cyclic [3H]AMP accumulation in guinea pig cerebral cortical slices (elicited by 15 uM 2-chloroadenosine at adenosine A2 receptor)


J Med Chem 28: 487-92 (1985)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(GUINEA PIG)
BDBM50020845
PNG
(8-(2-Hydroxy-phenyl)-1,3-dimethyl-3,7-dihydro-puri...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1O
Show InChI InChI=1S/C13H12N4O3/c1-16-11-9(12(19)17(2)13(16)20)14-10(15-11)7-5-3-4-6-8(7)18/h3-6,18H,1-2H3,(H,14,15)
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1.70E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism of cyclic [3H]AMP accumulation in guinea pig cerebral cortical slices (elicited by 15 uM 2-chloroadenosine at adenosine A2 receptor)


J Med Chem 28: 487-92 (1985)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(GUINEA PIG)
BDBM50022731
PNG
(1,3-Diisobutyl-3,7-dihydro-purine-2,6-dione | CHEM...)
Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(CC(C)C)c1=O
Show InChI InChI=1S/C13H20N4O2/c1-8(2)5-16-11-10(14-7-15-11)12(18)17(13(16)19)6-9(3)4/h7-9H,5-6H2,1-4H3,(H,14,15)
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1.70E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to antagonise cyclic [3H]-AMP accumulation in [3H]-adenine-labeled guinea pig cerebral cortical slices.


J Med Chem 29: 1305-8 (1987)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(Mus musculus)
BDBM50163031
PNG
((1S,2R,3S,4R,5S)-4-(2-chloro-6-(2,2-diphenylethyla...)
Show SMILES CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(Cl)nc12
Show InChI InChI=1S/C27H27ClN6O3/c1-29-25(37)27-12-18(27)20(21(35)22(27)36)34-14-31-19-23(32-26(28)33-24(19)34)30-13-17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,17-18,20-22,35-36H,12-13H2,1H3,(H,29,37)(H,30,32,33)/t18-,20-,21+,22+,27-/m1/s1
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PubMed
1.81E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]2-[p-(2-carboxyethyl)phenyl-ethylamino]-5'-N-ethylcarboxamidoadenosine from mouse recombinant adenosine A2A receptor expressed in...


Bioorg Med Chem Lett 18: 2813-9 (2008)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(Oryctolagus cuniculus (rabbit))
BDBM99210
PNG
(US8501708, 34)
Show SMILES Cc1cccc(C)c1CO[C@@H]1CCCC1Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C24H31N5O5/c1-13-5-3-6-14(2)15(13)10-33-17-8-4-7-16(17)28-22-19-23(26-11-25-22)29(12-27-19)24-21(32)20(31)18(9-30)34-24/h3,5-6,11-12,16-18,20-21,24,30-32H,4,7-10H2,1-2H3,(H,25,26,28)/t16?,17-,18-,20-,21-,24-/m1/s1
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2.27E+3n/an/an/an/an/an/an/an/a



Inotek Pharmaceuticals Corporation

US Patent


Assay Description
The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.


US Patent US8501708 (2013)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(GUINEA PIG)
BDBM50018159
PNG
(4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C14H12N4O4/c1-17-11-9(12(19)18(2)14(17)22)15-10(16-11)7-3-5-8(6-4-7)13(20)21/h3-6H,1-2H3,(H,15,16)(H,20,21)
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2.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism of cyclic [3H]AMP accumulation in guinea pig cerebral cortical slices (elicited by 15 uM 2-chloroadenosine at adenosine A2 receptor)


J Med Chem 28: 487-92 (1985)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(Oryctolagus cuniculus (rabbit))
BDBM99193
PNG
(US8501708, 13)
Show SMILES Cc1ccc(CO[C@H]2CCCC2Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C23H29N5O5/c1-13-5-7-14(8-6-13)10-32-16-4-2-3-15(16)27-21-18-22(25-11-24-21)28(12-26-18)23-20(31)19(30)17(9-29)33-23/h5-8,11-12,15-17,19-20,23,29-31H,2-4,9-10H2,1H3,(H,24,25,27)/t15?,16-,17+,19+,20+,23?/m0/s1
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2.53E+3n/an/an/an/an/an/an/an/a



Inotek Pharmaceuticals Corporation

US Patent


Assay Description
The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.


US Patent US8501708 (2013)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(Oryctolagus cuniculus (rabbit))
BDBM99206
PNG
(US8501708, 30)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC[C@H]3OCc3ccc(F)cc3)ncnc12
Show InChI InChI=1S/C22H26FN5O5/c23-13-6-4-12(5-7-13)9-32-15-3-1-2-14(15)27-20-17-21(25-10-24-20)28(11-26-17)22-19(31)18(30)16(8-29)33-22/h4-7,10-11,14-16,18-19,22,29-31H,1-3,8-9H2,(H,24,25,27)/t14?,15-,16-,18-,19-,22-/m1/s1
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2.55E+3n/an/an/an/an/an/an/an/a



Inotek Pharmaceuticals Corporation

US Patent


Assay Description
The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.


US Patent US8501708 (2013)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(GUINEA PIG)
BDBM82032
PNG
(1,3-Dipropyl-3,7-dihydro-purine-2,6-dione | 1,3-Di...)
Show SMILES CCCn1c2nc[nH]c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C11H16N4O2/c1-3-5-14-9-8(12-7-13-9)10(16)15(6-4-2)11(14)17/h7H,3-6H2,1-2H3,(H,12,13)
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2.70E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism of cyclic [3H]AMP accumulation in guinea pig cerebral cortical slices (elicited by 15 uM 2-chloroadenosine at adenosine A2 receptor)


J Med Chem 28: 487-92 (1985)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(GUINEA PIG)
BDBM82032
PNG
(1,3-Dipropyl-3,7-dihydro-purine-2,6-dione | 1,3-Di...)
Show SMILES CCCn1c2nc[nH]c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C11H16N4O2/c1-3-5-14-9-8(12-7-13-9)10(16)15(6-4-2)11(14)17/h7H,3-6H2,1-2H3,(H,12,13)
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2.70E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to antagonise cyclic [3H]-AMP accumulation in [3H]-adenine-labeled guinea pig cerebral cortical slices.


J Med Chem 29: 1305-8 (1987)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(Oryctolagus cuniculus (rabbit))
BDBM99209
PNG
(US8501708, 33)
Show SMILES COc1cccc(CO[C@@H]2CCCC2Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1
Show InChI InChI=1S/C23H29N5O6/c1-32-14-5-2-4-13(8-14)10-33-16-7-3-6-15(16)27-21-18-22(25-11-24-21)28(12-26-18)23-20(31)19(30)17(9-29)34-23/h2,4-5,8,11-12,15-17,19-20,23,29-31H,3,6-7,9-10H2,1H3,(H,24,25,27)/t15?,16-,17-,19-,20-,23-/m1/s1
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US Patent
2.77E+3n/an/an/an/an/an/an/an/a



Inotek Pharmaceuticals Corporation

US Patent


Assay Description
The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.


US Patent US8501708 (2013)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(GUINEA PIG)
BDBM50025577
PNG
(3-Isobutyl-1-methyl-7-prop-2-ynyl-3,7-dihydro-puri...)
Show SMILES CC(C)Cn1c2ncn(CC#C)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C13H16N4O2/c1-5-6-16-8-14-11-10(16)12(18)15(4)13(19)17(11)7-9(2)3/h1,8-9H,6-7H2,2-4H3
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2.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to antagonise cyclic [3H]-AMP accumulation in [3H]-adenine-labeled guinea pig cerebral cortical slices.


J Med Chem 29: 1305-8 (1987)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(Oryctolagus cuniculus (rabbit))
BDBM99202
PNG
(US8501708, 22)
Show SMILES COc1cccc(CO[C@H]2CCCC2Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)c1
Show InChI InChI=1S/C23H29N5O6/c1-32-14-5-2-4-13(8-14)10-33-16-7-3-6-15(16)27-21-18-22(25-11-24-21)28(12-26-18)23-20(31)19(30)17(9-29)34-23/h2,4-5,8,11-12,15-17,19-20,23,29-31H,3,6-7,9-10H2,1H3,(H,24,25,27)/t15?,16-,17+,19+,20+,23?/m0/s1
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2.98E+3n/an/an/an/an/an/an/an/a



Inotek Pharmaceuticals Corporation

US Patent


Assay Description
The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.


US Patent US8501708 (2013)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(GUINEA PIG)
BDBM82032
PNG
(1,3-Dipropyl-3,7-dihydro-purine-2,6-dione | 1,3-Di...)
Show SMILES CCCn1c2nc[nH]c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C11H16N4O2/c1-3-5-14-9-8(12-7-13-9)10(16)15(6-4-2)11(14)17/h7H,3-6H2,1-2H3,(H,12,13)
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3.00E+3n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Affinity against adenosine A2 receptor in the brain membranes measured by the displacement of [3H]-CPX


J Med Chem 35: 4039-44 (1992)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(GUINEA PIG)
BDBM82021
PNG
(1,3-Diethylxanthine | CAS_101420 | CHEMBL416013 | ...)
Show SMILES CCn1c2nc[nH]c2c(=O)n(CC)c1=O
Show InChI InChI=1S/C9H12N4O2/c1-3-12-7-6(10-5-11-7)8(14)13(4-2)9(12)15/h5H,3-4H2,1-2H3,(H,10,11)
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3.30E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to antagonise cyclic [3H]-AMP accumulation in [3H]-adenine-labeled guinea pig cerebral cortical slices.


J Med Chem 29: 1305-8 (1987)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(Oryctolagus cuniculus (rabbit))
BDBM99204
PNG
(US8501708, 28)
Show SMILES Cc1ccccc1CO[C@@H]1CCCC1Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C23H29N5O5/c1-13-5-2-3-6-14(13)10-32-16-8-4-7-15(16)27-21-18-22(25-11-24-21)28(12-26-18)23-20(31)19(30)17(9-29)33-23/h2-3,5-6,11-12,15-17,19-20,23,29-31H,4,7-10H2,1H3,(H,24,25,27)/t15?,16-,17-,19-,20-,23-/m1/s1
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US Patent
3.37E+3n/an/an/an/an/an/an/an/a



Inotek Pharmaceuticals Corporation

US Patent


Assay Description
The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.


US Patent US8501708 (2013)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(Oryctolagus cuniculus (rabbit))
BDBM99194
PNG
(US8501708, 14 | US8501708, 15)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3OCc3ccccc3)ncnc12
Show InChI InChI=1S/C23H29N5O5/c29-10-17-19(30)20(31)23(33-17)28-13-26-18-21(24-12-25-22(18)28)27-15-8-4-5-9-16(15)32-11-14-6-2-1-3-7-14/h1-3,6-7,12-13,15-17,19-20,23,29-31H,4-5,8-11H2,(H,24,25,27)/t15?,16?,17-,19-,20-,23?/m1/s1
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3.74E+3n/an/an/an/an/an/an/an/a



Inotek Pharmaceuticals Corporation

US Patent


Assay Description
The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.


US Patent US8501708 (2013)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(GUINEA PIG)
BDBM50308508
PNG
(CHEMBL589549 | N-((1R,2S,4S)-bicyclo[2.2.1]heptan-...)
Show SMILES Cn1cnc2c(N[C@H]3C[C@H]4CC[C@@H]3C4)ncnc12
Show InChI InChI=1S/C13H17N5/c1-18-7-16-11-12(14-6-15-13(11)18)17-10-5-8-2-3-9(10)4-8/h6-10H,2-5H2,1H3,(H,14,15,17)/t8-,9+,10-/m0/s1
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PubMed
3.75E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity to guinea pig adenosine A2A receptor


Bioorg Med Chem 18: 2195-203 (2010)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(Oryctolagus cuniculus (rabbit))
BDBM99207
PNG
(US8501708, 31)
Show SMILES CC(C)c1ccc(CO[C@@H]2CCCC2Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C25H33N5O5/c1-14(2)16-8-6-15(7-9-16)11-34-18-5-3-4-17(18)29-23-20-24(27-12-26-23)30(13-28-20)25-22(33)21(32)19(10-31)35-25/h6-9,12-14,17-19,21-22,25,31-33H,3-5,10-11H2,1-2H3,(H,26,27,29)/t17?,18-,19-,21-,22-,25-/m1/s1
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US Patent
3.78E+3n/an/an/an/an/an/an/an/a



Inotek Pharmaceuticals Corporation

US Patent


Assay Description
The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.


US Patent US8501708 (2013)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(GUINEA PIG)
BDBM50001513
PNG
(1-Ethyl-3-propyl-3,7-dihydro-purine-2,6-dione | CH...)
Show SMILES CCCn1c2nc[nH]c2c(=O)n(CC)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-3-5-14-8-7(11-6-12-8)9(15)13(4-2)10(14)16/h6H,3-5H2,1-2H3,(H,11,12)
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3.90E+3n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Affinity against adenosine A2 receptor in the brain membranes measured by the displacement of [3H]-CPX


J Med Chem 35: 4039-44 (1992)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(GUINEA PIG)
BDBM50025574
PNG
(1,3-Diallyl-7-methyl-3,7-dihydro-purine-2,6-dione ...)
Show SMILES Cn1cnc2n(CC=C)c(=O)n(CC=C)c(=O)c12
Show InChI InChI=1S/C12H14N4O2/c1-4-6-15-10-9(14(3)8-13-10)11(17)16(7-5-2)12(15)18/h4-5,8H,1-2,6-7H2,3H3
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4.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to antagonise cyclic [3H]-AMP accumulation in [3H]-adenine-labeled guinea pig cerebral cortical slices.


J Med Chem 29: 1305-8 (1987)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(GUINEA PIG)
BDBM50001516
PNG
(1-Butyl-3-propyl-3,7-dihydro-purine-2,6-dione | CH...)
Show SMILES CCCCn1c(=O)n(CCC)c2nc[nH]c2c1=O
Show InChI InChI=1S/C12H18N4O2/c1-3-5-7-16-11(17)9-10(14-8-13-9)15(6-4-2)12(16)18/h8H,3-7H2,1-2H3,(H,13,14)
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4.10E+3n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Affinity against adenosine A2 receptor in the brain membranes measured by the displacement of [3H]-CPX


J Med Chem 35: 4039-44 (1992)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(GUINEA PIG)
BDBM50025576
PNG
(1,3-Dimethyl-7-prop-2-ynyl-3,7-dihydro-purine-2,6-...)
Show SMILES Cn1c2ncn(CC#C)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H10N4O2/c1-4-5-14-6-11-8-7(14)9(15)13(3)10(16)12(8)2/h1,6H,5H2,2-3H3
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4.10E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to antagonise cyclic [3H]-AMP accumulation in [3H]-adenine-labeled guinea pig cerebral cortical slices.


J Med Chem 29: 1305-8 (1987)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(GUINEA PIG)
BDBM50025584
PNG
(7-(2-Chloro-ethyl)-1,3-dimethyl-3,7-dihydro-purine...)
Show SMILES Cn1c2ncn(CCCl)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C9H11ClN4O2/c1-12-7-6(8(15)13(2)9(12)16)14(4-3-10)5-11-7/h5H,3-4H2,1-2H3
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4.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to antagonise cyclic [3H]-AMP accumulation in [3H]-adenine-labeled guinea pig cerebral cortical slices.


J Med Chem 29: 1305-8 (1987)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(GUINEA PIG)
BDBM50001511
PNG
(3-Butyl-1-methyl-3,7-dihydro-purine-2,6-dione | CH...)
Show SMILES CCCCn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-3-4-5-14-8-7(11-6-12-8)9(15)13(2)10(14)16/h6H,3-5H2,1-2H3,(H,11,12)
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4.80E+3n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Affinity against adenosine A2 receptor in the brain membranes measured by the displacement of [3H]-CPX


J Med Chem 35: 4039-44 (1992)

More data for this
Ligand-Target Pair
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