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Compile Data Set for Download or QSAR

Found 134 hits of ki data for polymerid = 49000161,50000839,5537   
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 A2a


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2CZ37RK
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2CZ37RK
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(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)


BindingDB Entry DOI: 10.7270/Q2CZ37RK
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2CZ37RK
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(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)


BindingDB Entry DOI: 10.7270/Q2RV0P8X
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(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)


BindingDB Entry DOI: 10.7270/Q2RV0P8X
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(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)


BindingDB Entry DOI: 10.7270/Q2RV0P8X
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(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)


BindingDB Entry DOI: 10.7270/Q2CZ37RK
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(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)


BindingDB Entry DOI: 10.7270/Q2RV0P8X
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(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 |THB:22:21:18:24.23.25,22:23:18:21.20|
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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PubMed
 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)


Article DOI: 10.1016/j.bmc.2010.01.072
BindingDB Entry DOI: 10.7270/Q2BZ670J
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(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)


BindingDB Entry DOI: 10.7270/Q2RV0P8X
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(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)


BindingDB Entry DOI: 10.7270/Q23777QX
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(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)


BindingDB Entry DOI: 10.7270/Q2CZ37RK
More data for this
Ligand-Target Pair
Adenosine receptor A2


(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 |r|
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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 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)


BindingDB Entry DOI: 10.7270/Q2QN65CZ
More data for this
Ligand-Target Pair
Adenosine receptor A2


(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 |r|
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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 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)


BindingDB Entry DOI: 10.7270/Q2QN65CZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(GUINEA PIG)		BDBM377144
PNG
((1-{9-[(4S,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethy...)
Show SMILES Nc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)C(=O)NCc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C21H21ClN8O5/c22-12-3-1-10(2-4-12)5-24-19(34)11-6-26-30(7-11)21-27-17(23)14-18(28-21)29(9-25-14)20-16(33)15(32)13(8-31)35-20/h1-4,6-7,9,13,15-16,20,31-33H,5,8H2,(H,24,34)(H2,23,27,28)/t13-,15-,16-,20?/m1/s1
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 505n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
Compounds of this invention were assayed to determine their affinity for the A2A receptor in a pig striatum membrane prep. Briefly, 0.2 mg of pig str...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2K939V2
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(GUINEA PIG)		BDBM377143
PNG
((1-{9-[(4S,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethy...)
Show SMILES Nc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)C(=O)NC1CCCC1 |r|
Show InChI InChI=1S/C19H24N8O5/c20-15-12-16(26(8-21-12)18-14(30)13(29)11(7-28)32-18)25-19(24-15)27-6-9(5-22-27)17(31)23-10-3-1-2-4-10/h5-6,8,10-11,13-14,18,28-30H,1-4,7H2,(H,23,31)(H2,20,24,25)/t11-,13-,14-,18?/m1/s1
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 505n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
Compounds of this invention were assayed to determine their affinity for the A2A receptor in a pig striatum membrane prep. Briefly, 0.2 mg of pig str...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2K939V2
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(GUINEA PIG)		BDBM377142
PNG
(1-{9-[(4S,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl...)
Show SMILES NC(=O)c1cnn(c1)-c1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
Show InChI InChI=1S/C14H16N8O5/c15-10-7-12(20-14(19-10)22-2-5(1-18-22)11(16)26)21(4-17-7)13-9(25)8(24)6(3-23)27-13/h1-2,4,6,8-9,13,23-25H,3H2,(H2,16,26)(H2,15,19,20)/t6-,8-,9-,13?/m1/s1
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 505n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
Compounds of this invention were assayed to determine their affinity for the A2A receptor in a pig striatum membrane prep. Briefly, 0.2 mg of pig str...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2K939V2
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(GUINEA PIG)		BDBM377141
PNG
((1-{9-[(4S,2R,3R,5R)-3,4-dihydroxy-5-(hydrozymethy...)
Show SMILES CCNC(=O)c1cnn(c1)-c1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
Show InChI InChI=1S/C16H20N8O5/c1-2-18-14(28)7-3-20-24(4-7)16-21-12(17)9-13(22-16)23(6-19-9)15-11(27)10(26)8(5-25)29-15/h3-4,6,8,10-11,15,25-27H,2,5H2,1H3,(H,18,28)(H2,17,21,22)/t8-,10-,11-,15?/m1/s1
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 505n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
Compounds of this invention were assayed to determine their affinity for the A2A receptor in a pig striatum membrane prep. Briefly, 0.2 mg of pig str...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2K939V2
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(GUINEA PIG)		BDBM377140
PNG
((1-{9-[(4S,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethy...)
Show SMILES CN(C)C(=O)c1cnn(c1)-c1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
Show InChI InChI=1S/C16H20N8O5/c1-22(2)14(28)7-3-19-24(4-7)16-20-12(17)9-13(21-16)23(6-18-9)15-11(27)10(26)8(5-25)29-15/h3-4,6,8,10-11,15,25-27H,5H2,1-2H3,(H2,17,20,21)/t8-,10-,11-,15?/m1/s1
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 505n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
Compounds of this invention were assayed to determine their affinity for the A2A receptor in a pig striatum membrane prep. Briefly, 0.2 mg of pig str...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2K939V2
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(GUINEA PIG)		BDBM377134
PNG
(Ethyl 1-{9-[(4S,2R,3R,5R)-3,4-dihydroxy-5-(hydroxy...)
Show SMILES CCOC(=O)c1cnn(c1)-c1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
Show InChI InChI=1S/C16H19N7O6/c1-2-28-15(27)7-3-19-23(4-7)16-20-12(17)9-13(21-16)22(6-18-9)14-11(26)10(25)8(5-24)29-14/h3-4,6,8,10-11,14,24-26H,2,5H2,1H3,(H2,17,20,21)/t8-,10-,11-,14?/m1/s1
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 505n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
Compounds of this invention were assayed to determine their affinity for the A2A receptor in a pig striatum membrane prep. Briefly, 0.2 mg of pig str...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2K939V2
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(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)


BindingDB Entry DOI: 10.7270/Q2RV0P8X
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(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)


BindingDB Entry DOI: 10.7270/Q23777QX
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(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)


BindingDB Entry DOI: 10.7270/Q2RV0P8X
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Mus musculus)		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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 808n/an/an/an/an/an/an/an/a



Medical College of Wisconsin

Curated by ChEMBL


Assay Description
Displacement of [3H]2-[p-(2-carboxyethyl)phenylethylamino]-5-N-ethylcarboxamidoadenosine from mouse A2A adenosine receptor expressed in HEK293 cell m...

J Med Chem 62: 1502-1522 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01662
BindingDB Entry DOI: 10.7270/Q2TM7FGK
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Mus musculus)		BDBM50397728
PNG
(CHEMBL2181976)
Show SMILES Cc1cc(C)cc(c1)-c1nc(NC(=O)c2cccnc2)sc1-c1ccncc1
Show InChI InChI=1S/C22H18N4OS/c1-14-10-15(2)12-18(11-14)19-20(16-5-8-23-9-6-16)28-22(25-19)26-21(27)17-4-3-7-24-13-17/h3-13H,1-2H3,(H,25,26,27)
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 830n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] ZM241385 from mouse adenosine A2A receptor expressed in HEK293 cells incubated for 60 mins by radioligand binding assay

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00685
BindingDB Entry DOI: 10.7270/Q2930Z2X
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(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)


BindingDB Entry DOI: 10.7270/Q2RV0P8X
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Mus musculus)		BDBM50085658
PNG
((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r|
Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1
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 988n/an/an/an/an/an/an/an/a



Medical College of Wisconsin

Curated by ChEMBL


Assay Description
Displacement of [3H]2-[p-(2-carboxyethyl)phenylethylamino]-5-N-ethylcarboxamidoadenosine from mouse A2A adenosine receptor expressed in HEK293 cell m...

J Med Chem 62: 1502-1522 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01662
BindingDB Entry DOI: 10.7270/Q2TM7FGK
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(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)


BindingDB Entry DOI: 10.7270/Q2RV0P8X
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(GUINEA PIG)		BDBM377139
PNG
(1-{9-[(4S,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl...)
Show SMILES Nc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)C(O)=O |r|
Show InChI InChI=1S/C14H15N7O6/c15-10-7-11(19-14(18-10)21-2-5(1-17-21)13(25)26)20(4-16-7)12-9(24)8(23)6(3-22)27-12/h1-2,4,6,8-9,12,22-24H,3H2,(H,25,26)(H2,15,18,19)/t6-,8-,9-,12?/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
Compounds of this invention were assayed to determine their affinity for the A2A receptor in a pig striatum membrane prep. Briefly, 0.2 mg of pig str...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2K939V2
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(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 |r|
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)


Article DOI: 10.1016/j.bmcl.2008.04.001
BindingDB Entry DOI: 10.7270/Q2XK8GFH
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(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)


BindingDB Entry DOI: 10.7270/Q2RV0P8X
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(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)


BindingDB Entry DOI: 10.7270/Q23777QX
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(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)


BindingDB Entry DOI: 10.7270/Q23777QX
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(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)


BindingDB Entry DOI: 10.7270/Q23777QX
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(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)


BindingDB Entry DOI: 10.7270/Q2RV0P8X
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(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)


BindingDB Entry DOI: 10.7270/Q2RV0P8X
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(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)


BindingDB Entry DOI: 10.7270/Q23777QX
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(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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 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)


Article DOI: 10.1016/j.bmcl.2008.04.001
BindingDB Entry DOI: 10.7270/Q2XK8GFH
More data for this
Ligand-Target Pair
Adenosine receptor A2


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2QN65CZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(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)


BindingDB Entry DOI: 10.7270/Q2RV0P8X
More data for this
Ligand-Target Pair
Adenosine receptor A2


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2QN65CZ
More data for this
Ligand-Target Pair
Adenosine receptor A2


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2QN65CZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Mus musculus)		BDBM50517307
PNG
(CHEMBL4463802)
Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(N[C@H]3C[C@@]4([H])CC[C@]3([H])C4)nc(Cl)nc12)C(=O)NC1CC1 |r,TLB:14:15:20.19:23|
Show InChI InChI=1S/C22H27ClN6O3/c23-21-27-18(26-13-6-9-1-2-10(13)5-9)14-19(28-21)29(8-24-14)15-12-7-22(12,17(31)16(15)30)20(32)25-11-3-4-11/h8-13,15-17,30-31H,1-7H2,(H,25,32)(H,26,27,28)/t9-,10+,12+,13-,15+,16-,17-,22-/m0/s1
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 2.65E+3n/an/an/an/an/an/an/an/a



Medical College of Wisconsin

Curated by ChEMBL


Assay Description
Displacement of [3H]2-[p-(2-carboxyethyl)phenylethylamino]-5-N-ethylcarboxamidoadenosine from mouse A2A adenosine receptor expressed in HEK293 cell m...

J Med Chem 62: 1502-1522 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01662
BindingDB Entry DOI: 10.7270/Q2TM7FGK
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(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)


BindingDB Entry DOI: 10.7270/Q2RV0P8X
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(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)


BindingDB Entry DOI: 10.7270/Q23777QX
More data for this
Ligand-Target Pair
Adenosine receptor A2


(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 |r|
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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 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)


BindingDB Entry DOI: 10.7270/Q2QN65CZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(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)


BindingDB Entry DOI: 10.7270/Q23777QX
More data for this
Ligand-Target Pair
Adenosine receptor A2


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2QN65CZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(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)


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