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Compile Data Set for Download or QSAR

Found 1466 hits Enz. Inhib. hit(s) with Target = 'Adenosine A2 receptor'   
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 A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50004566
PNG
(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinaz...)
Show SMILES Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16)
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n/an/a 2.80n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity towards the Adenosine A2 receptor in corpora striata of rats using [3H]NECA as radioligand.


J Med Chem 33: 2240-54 (1990)


Article DOI: 10.1021/jm00170a031
BindingDB Entry DOI: 10.7270/Q2PR7WKF
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50004566
PNG
(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinaz...)
Show SMILES Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16)
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n/an/a 3.30n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Inhibition of binding to Adenosine-2 receptor using [3H]NECA in rat striatum


J Med Chem 31: 1014-20 (1988)


Article DOI: 10.1021/jm00400a022
BindingDB Entry DOI: 10.7270/Q2T43S4W
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50023492
PNG
(5-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazo...)
Show SMILES Nc1nc2ccc(O)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C13H9N5O2/c14-13-15-9-4-3-7(19)6-8(9)12-16-11(17-18(12)13)10-2-1-5-20-10/h1-6,19H,(H2,14,15)
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n/an/a 5.5n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Inhibition of binding to Adenosine-2 receptor using [3H]NECA in rat striatum


J Med Chem 31: 1014-20 (1988)


Article DOI: 10.1021/jm00400a022
BindingDB Entry DOI: 10.7270/Q2T43S4W
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50009535
PNG
((CGS 22,989) 2-[6-Amino-2-(2-cyclohex-1-enyl-ethyl...)
Show SMILES Nc1nc(NCCC2=CCCCC2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H26N6O4/c19-15-12-16(23-18(22-15)20-7-6-10-4-2-1-3-5-10)24(9-21-12)17-14(27)13(26)11(8-25)28-17/h4,9,11,13-14,17,25-27H,1-3,5-8H2,(H3,19,20,22,23)/t11-,13-,14-,17?/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]NECA binding on rat brain adenosine A2 receptor


J Med Chem 34: 2570-9 (1991)


Article DOI: 10.1021/jm00112a035
BindingDB Entry DOI: 10.7270/Q2BZ66NN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]NECA binding on rat brain adenosine A2 receptor


J Med Chem 34: 2570-9 (1991)


Article DOI: 10.1021/jm00112a035
BindingDB Entry DOI: 10.7270/Q2BZ66NN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50009543
PNG
(2-{6-Amino-2-[2-(5,6,7,8-tetrahydro-naphthalen-2-y...)
Show SMILES Nc1nc(NCCc2ccc3CCCCc3c2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C22H28N6O4/c23-19-16-20(28(11-25-16)21-18(31)17(30)15(10-29)32-21)27-22(26-19)24-8-7-12-5-6-13-3-1-2-4-14(13)9-12/h5-6,9,11,15,17-18,21,29-31H,1-4,7-8,10H2,(H3,23,24,26,27)/t15-,17-,18-,21-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]NECA binding on rat brain adenosine A2 receptor


J Med Chem 34: 2570-9 (1991)


Article DOI: 10.1021/jm00112a035
BindingDB Entry DOI: 10.7270/Q2BZ66NN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity towards the Adenosine A2 receptor in corpora striata of rats using [3H]NECA as radioligand.


J Med Chem 33: 2240-54 (1990)


Article DOI: 10.1021/jm00170a031
BindingDB Entry DOI: 10.7270/Q2PR7WKF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50023505
PNG
(2-Furan-2-yl-9-methoxy-[1,2,4]triazolo[1,5-c]quina...)
Show SMILES COc1ccc2nc(N)n3nc(nc3c2c1)-c1ccco1
Show InChI InChI=1S/C14H11N5O2/c1-20-8-4-5-10-9(7-8)13-17-12(11-3-2-6-21-11)18-19(13)14(15)16-10/h2-7H,1H3,(H2,15,16)
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n/an/a 19n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Inhibition of binding to Adenosine-2 receptor using [3H]NECA in rat striatum


J Med Chem 31: 1014-20 (1988)


Article DOI: 10.1021/jm00400a022
BindingDB Entry DOI: 10.7270/Q2T43S4W
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50004571
PNG
(8-Chloro-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin...)
Show SMILES Nc1nc2ccc(Cl)cc2n2c(nnc12)-c1ccccc1
Show InChI InChI=1S/C15H10ClN5/c16-10-6-7-11-12(8-10)21-14(9-4-2-1-3-5-9)19-20-15(21)13(17)18-11/h1-8H,(H2,17,18)
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n/an/a 21n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity towards the Adenosine A2 receptor in corpora striata of rats using [3H]NECA as radioligand.


J Med Chem 33: 2240-54 (1990)


Article DOI: 10.1021/jm00170a031
BindingDB Entry DOI: 10.7270/Q2PR7WKF
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50009509
PNG
((CGS 22,492) 2-[6-Amino-2-(2-cyclohexyl-ethylamino...)
Show SMILES Nc1nc(NCCC2CCCCC2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H28N6O4/c19-15-12-16(23-18(22-15)20-7-6-10-4-2-1-3-5-10)24(9-21-12)17-14(27)13(26)11(8-25)28-17/h9-11,13-14,17,25-27H,1-8H2,(H3,19,20,22,23)/t11-,13-,14-,17?/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]NECA binding on rat brain adenosine A2 receptor


J Med Chem 34: 2570-9 (1991)


Article DOI: 10.1021/jm00112a035
BindingDB Entry DOI: 10.7270/Q2BZ66NN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50009546
PNG
(2-{6-Amino-2-[2-(4-methoxy-phenyl)-ethylamino]-pur...)
Show SMILES COc1ccc(CCNc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1
Show InChI InChI=1S/C19H24N6O5/c1-29-11-4-2-10(3-5-11)6-7-21-19-23-16(20)13-17(24-19)25(9-22-13)18-15(28)14(27)12(8-26)30-18/h2-5,9,12,14-15,18,26-28H,6-8H2,1H3,(H3,20,21,23,24)/t12-,14-,15-,18-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]NECA binding on rat brain adenosine A2 receptor


J Med Chem 34: 2570-9 (1991)


Article DOI: 10.1021/jm00112a035
BindingDB Entry DOI: 10.7270/Q2BZ66NN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50015779
PNG
(7,8-Dichloro-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxa...)
Show SMILES CCc1nnc2c(N)nc3cc(Cl)c(Cl)cc3n12
Show InChI InChI=1S/C11H9Cl2N5/c1-2-9-16-17-11-10(14)15-7-3-5(12)6(13)4-8(7)18(9)11/h3-4H,2H2,1H3,(H2,14,15)
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n/an/a 23n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity towards the Adenosine A2 receptor in corpora striata of rats using [3H]NECA as radioligand.


J Med Chem 33: 2240-54 (1990)


Article DOI: 10.1021/jm00170a031
BindingDB Entry DOI: 10.7270/Q2PR7WKF
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50009515
PNG
(2-[6-Amino-2-(2-hydroxy-2-phenyl-propylamino)-puri...)
Show SMILES Nc1nc(NC[C@@H](O)c2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H22N6O5/c19-15-12-16(24(8-21-12)17-14(28)13(27)11(7-25)29-17)23-18(22-15)20-6-10(26)9-4-2-1-3-5-9/h1-5,8,10-11,13-14,17,25-28H,6-7H2,(H3,19,20,22,23)/t10-,11-,13-,14-,17-/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]NECA binding on rat brain adenosine A2 receptor


J Med Chem 34: 2570-9 (1991)


Article DOI: 10.1021/jm00112a035
BindingDB Entry DOI: 10.7270/Q2BZ66NN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
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n/an/a 25n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-NECA from adenosine A2 receptor of rat striatal membrane


J Med Chem 30: 954-6 (1987)


Article DOI: 10.1021/jm00388a039
BindingDB Entry DOI: 10.7270/Q2PN967D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50009513
PNG
(2-[2-(2-Adamantan-1-yl-ethylamino)-6-amino-purin-9...)
Show SMILES Nc1nc(NCCC23CC4CC(CC(C4)C2)C3)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C22H32N6O4/c23-18-15-19(28(10-25-15)20-17(31)16(30)14(9-29)32-20)27-21(26-18)24-2-1-22-6-11-3-12(7-22)5-13(4-11)8-22/h10-14,16-17,20,29-31H,1-9H2,(H3,23,24,26,27)/t11?,12?,13?,14-,16-,17-,20-,22?/m1/s1
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n/an/a 27n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]NECA binding on rat brain adenosine A2 receptor


J Med Chem 34: 2570-9 (1991)


Article DOI: 10.1021/jm00112a035
BindingDB Entry DOI: 10.7270/Q2BZ66NN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50023496
PNG
(2-Furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl...)
Show SMILES Nc1nc2ccccc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C13H9N5O/c14-13-15-9-5-2-1-4-8(9)12-16-11(17-18(12)13)10-6-3-7-19-10/h1-7H,(H2,14,15)
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n/an/a 27n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Inhibition of binding to Adenosine-2 receptor using [3H]NECA in rat striatum


J Med Chem 31: 1014-20 (1988)


Article DOI: 10.1021/jm00400a022
BindingDB Entry DOI: 10.7270/Q2T43S4W
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50015765
PNG
(8-Chloro-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-...)
Show SMILES CCc1nnc2c(N)nc3ccc(Cl)cc3n12
Show InChI InChI=1S/C11H10ClN5/c1-2-9-15-16-11-10(13)14-7-4-3-6(12)5-8(7)17(9)11/h3-5H,2H2,1H3,(H2,13,14)
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n/an/a 28n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity towards the Adenosine A2 receptor in corpora striata of rats using [3H]NECA as radioligand.


J Med Chem 33: 2240-54 (1990)


Article DOI: 10.1021/jm00170a031
BindingDB Entry DOI: 10.7270/Q2PR7WKF
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50015810
PNG
(7-Chloro-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-...)
Show SMILES CCc1nnc2c(N)nc3cc(Cl)ccc3n12
Show InChI InChI=1S/C11H10ClN5/c1-2-9-15-16-11-10(13)14-7-5-6(12)3-4-8(7)17(9)11/h3-5H,2H2,1H3,(H2,13,14)
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n/an/a 29n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity towards the Adenosine A2 receptor in corpora striata of rats using [3H]NECA as radioligand.


J Med Chem 33: 2240-54 (1990)


Article DOI: 10.1021/jm00170a031
BindingDB Entry DOI: 10.7270/Q2PR7WKF
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50453087
PNG
(CHEMBL2374394)
Show SMILES C[C@@](O)(CNc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccccc1
Show InChI InChI=1S/C19H24N6O5/c1-19(29,10-5-3-2-4-6-10)8-21-18-23-15(20)12-16(24-18)25(9-22-12)17-14(28)13(27)11(7-26)30-17/h2-6,9,11,13-14,17,26-29H,7-8H2,1H3,(H3,20,21,23,24)/t11-,13-,14-,17-,19-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]NECA binding on rat brain adenosine A2 receptor


J Med Chem 34: 2570-9 (1991)


Article DOI: 10.1021/jm00112a035
BindingDB Entry DOI: 10.7270/Q2BZ66NN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50015829
PNG
(8-Chloro-1-(4-chloro-phenyl)-[1,2,4]triazolo[4,3-a...)
Show SMILES Nc1nc2ccc(Cl)cc2n2c(nnc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H9Cl2N5/c16-9-3-1-8(2-4-9)14-20-21-15-13(18)19-11-6-5-10(17)7-12(11)22(14)15/h1-7H,(H2,18,19)
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n/an/a 33n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity towards the Adenosine A2 receptor in corpora striata of rats using [3H]NECA as radioligand.


J Med Chem 33: 2240-54 (1990)


Article DOI: 10.1021/jm00170a031
BindingDB Entry DOI: 10.7270/Q2PR7WKF
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50009541
PNG
(2-[6-Amino-2-(2-naphthalen-2-yl-ethylamino)-purin-...)
Show SMILES Nc1nc(NCCc2ccc3ccccc3c2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C22H24N6O4/c23-19-16-20(28(11-25-16)21-18(31)17(30)15(10-29)32-21)27-22(26-19)24-8-7-12-5-6-13-3-1-2-4-14(13)9-12/h1-6,9,11,15,17-18,21,29-31H,7-8,10H2,(H3,23,24,26,27)/t15-,17-,18-,21-/m1/s1
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n/an/a 35n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]NECA binding on rat brain adenosine A2 receptor


J Med Chem 34: 2570-9 (1991)


Article DOI: 10.1021/jm00112a035
BindingDB Entry DOI: 10.7270/Q2BZ66NN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50015784
PNG
(1-Ethyl-7-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin...)
Show SMILES CCc1nnc2c(N)nc3cc(OC)ccc3n12
Show InChI InChI=1S/C12H13N5O/c1-3-10-15-16-12-11(13)14-8-6-7(18-2)4-5-9(8)17(10)12/h4-6H,3H2,1-2H3,(H2,13,14)
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n/an/a 36n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity towards the Adenosine A2 receptor in corpora striata of rats using [3H]NECA as radioligand.


J Med Chem 33: 2240-54 (1990)


Article DOI: 10.1021/jm00170a031
BindingDB Entry DOI: 10.7270/Q2PR7WKF
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50453086
PNG
(CHEMBL2374393)
Show SMILES CCOP(=O)(CCc1ccc(CCNc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1)OCC
Show InChI InChI=1S/C24H35N6O7P/c1-3-35-38(34,36-4-2)12-10-16-7-5-15(6-8-16)9-11-26-24-28-21(25)18-22(29-24)30(14-27-18)23-20(33)19(32)17(13-31)37-23/h5-8,14,17,19-20,23,31-33H,3-4,9-13H2,1-2H3,(H3,25,26,28,29)/t17-,19-,20-,23-/m1/s1
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n/an/a 42n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]NECA binding on rat brain adenosine A2 receptor


J Med Chem 34: 2570-9 (1991)


Article DOI: 10.1021/jm00112a035
BindingDB Entry DOI: 10.7270/Q2BZ66NN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50009527
PNG
(2-[6-Amino-2-(2-bicyclo[2.2.1]hept-2-yl-ethylamino...)
Show SMILES Nc1nc(NCC[C@H]2CC3CCC2C3)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H28N6O4/c20-16-13-17(25(8-22-13)18-15(28)14(27)12(7-26)29-18)24-19(23-16)21-4-3-11-6-9-1-2-10(11)5-9/h8-12,14-15,18,26-28H,1-7H2,(H3,20,21,23,24)/t9?,10?,11-,12+,14+,15+,18+/m0/s1
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n/an/a 42n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]NECA binding on rat brain adenosine A2 receptor


J Med Chem 34: 2570-9 (1991)


Article DOI: 10.1021/jm00112a035
BindingDB Entry DOI: 10.7270/Q2BZ66NN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50009519
PNG
(3-(4-{2-[6-Amino-9-(3,4-dihydroxy-5-hydroxymethyl-...)
Show SMILES CCOC(=O)CCc1ccc(CCNc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1
Show InChI InChI=1S/C23H30N6O6/c1-2-34-16(31)8-7-13-3-5-14(6-4-13)9-10-25-23-27-20(24)17-21(28-23)29(12-26-17)22-19(33)18(32)15(11-30)35-22/h3-6,12,15,18-19,22,30,32-33H,2,7-11H2,1H3,(H3,24,25,27,28)/t15-,18-,19-,22-/m1/s1
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n/an/a 44n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]NECA binding on rat brain adenosine A2 receptor


J Med Chem 34: 2570-9 (1991)


Article DOI: 10.1021/jm00112a035
BindingDB Entry DOI: 10.7270/Q2BZ66NN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50015798
PNG
(8-Chloro-1-trifluoromethyl-[1,2,4]triazolo[4,3-a]q...)
Show SMILES Nc1nc2ccc(Cl)cc2n2c(nnc12)C(F)(F)F
Show InChI InChI=1S/C10H5ClF3N5/c11-4-1-2-5-6(3-4)19-8(7(15)16-5)17-18-9(19)10(12,13)14/h1-3H,(H2,15,16)
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n/an/a 44n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity towards the Adenosine A2 receptor in corpora striata of rats using [3H]NECA as radioligand.


J Med Chem 33: 2240-54 (1990)


Article DOI: 10.1021/jm00170a031
BindingDB Entry DOI: 10.7270/Q2PR7WKF
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50009511
PNG
(4-{2-[6-Amino-9-(3,4-dihydroxy-5-hydroxymethyl-tet...)
Show SMILES CC(C)(C)OC(=O)c1ccc(CCNc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1
Show InChI InChI=1S/C23H30N6O6/c1-23(2,3)35-21(33)13-6-4-12(5-7-13)8-9-25-22-27-18(24)15-19(28-22)29(11-26-15)20-17(32)16(31)14(10-30)34-20/h4-7,11,14,16-17,20,30-32H,8-10H2,1-3H3,(H3,24,25,27,28)/t14-,16-,17-,20-/m1/s1
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n/an/a 49n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]NECA binding on rat brain adenosine A2 receptor


J Med Chem 34: 2570-9 (1991)


Article DOI: 10.1021/jm00112a035
BindingDB Entry DOI: 10.7270/Q2BZ66NN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Homo sapiens (Human))
BDBM50182282
PNG
(CHEMBL3818905)
Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CCNc2nc(N)c(nc2Cl)C(=O)N=C(N)N)cc1
Show InChI InChI=1S/C16H20ClN7O2.C2HF3O2/c1-2-26-10-5-3-9(4-6-10)7-8-21-14-12(17)22-11(13(18)23-14)15(25)24-16(19)20;3-2(4,5)1(6)7/h3-6H,2,7-8H2,1H3,(H3,18,21,23)(H4,19,20,24,25);(H,6,7)
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n/an/a 50n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM-241,385 from human N-terminal FLAG-tagged adenosine A2A receptor W246A 6.48 mutant expressed in HEK293 cell membrane by microb...


J Med Chem 59: 4769-77 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00142
BindingDB Entry DOI: 10.7270/Q2BC41GQ
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50009545
PNG
(2-{6-Amino-2-[2-(1H-indol-3-yl)-ethylamino]-purin-...)
Show SMILES Nc1nc(NCCc2c[nH]c3ccccc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H23N7O4/c21-17-14-18(27(9-24-14)19-16(30)15(29)13(8-28)31-19)26-20(25-17)22-6-5-10-7-23-12-4-2-1-3-11(10)12/h1-4,7,9,13,15-16,19,23,28-30H,5-6,8H2,(H3,21,22,25,26)/t13-,15-,16-,19-/m1/s1
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n/an/a 51n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]NECA binding on rat brain adenosine A2 receptor


J Med Chem 34: 2570-9 (1991)


Article DOI: 10.1021/jm00112a035
BindingDB Entry DOI: 10.7270/Q2BZ66NN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50023495
PNG
(2-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]qui...)
Show SMILES OCCNc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C15H12ClN5O2/c16-9-3-4-11-10(8-9)14-19-13(12-2-1-7-23-12)20-21(14)15(18-11)17-5-6-22/h1-4,7-8,22H,5-6H2,(H,17,18)
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n/an/a 56n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Inhibition of binding to Adenosine-2 receptor using [3H]NECA in rat striatum


J Med Chem 31: 1014-20 (1988)


Article DOI: 10.1021/jm00400a022
BindingDB Entry DOI: 10.7270/Q2T43S4W
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50023499
PNG
((9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quina...)
Show SMILES CNc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C14H10ClN5O/c1-16-14-17-10-5-4-8(15)7-9(10)13-18-12(19-20(13)14)11-3-2-6-21-11/h2-7H,1H3,(H,16,17)
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n/an/a 61n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Inhibition of binding to Adenosine-2 receptor using [3H]NECA in rat striatum


J Med Chem 31: 1014-20 (1988)


Article DOI: 10.1021/jm00400a022
BindingDB Entry DOI: 10.7270/Q2T43S4W
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50015771
PNG
(1-Ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-ylamine...)
Show SMILES CCc1nnc2c(N)nc3ccccc3n12
Show InChI InChI=1S/C11H11N5/c1-2-9-14-15-11-10(12)13-7-5-3-4-6-8(7)16(9)11/h3-6H,2H2,1H3,(H2,12,13)
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n/an/a 62n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity towards the Adenosine A2 receptor in corpora striata of rats using [3H]NECA as radioligand.


J Med Chem 33: 2240-54 (1990)


Article DOI: 10.1021/jm00170a031
BindingDB Entry DOI: 10.7270/Q2PR7WKF
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50009516
PNG
((4-{2-[6-Amino-9-(3,4-dihydroxy-5-hydroxymethyl-te...)
Show SMILES CCOC(=O)Cc1ccc(CCNc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1
Show InChI InChI=1S/C22H28N6O6/c1-2-33-15(30)9-13-5-3-12(4-6-13)7-8-24-22-26-19(23)16-20(27-22)28(11-25-16)21-18(32)17(31)14(10-29)34-21/h3-6,11,14,17-18,21,29,31-32H,2,7-10H2,1H3,(H3,23,24,26,27)/t14-,17-,18-,21-/m1/s1
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n/an/a 62n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]NECA binding on rat brain adenosine A2 receptor


J Med Chem 34: 2570-9 (1991)


Article DOI: 10.1021/jm00112a035
BindingDB Entry DOI: 10.7270/Q2BZ66NN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50009531
PNG
(2-[6-Amino-2-(2-phenyl-propylamino)-purin-9-yl]-5-...)
Show SMILES Nc1nc(NCCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1/C18H22N6O4/c19-15-12-16(23-18(22-15)20-7-6-10-4-2-1-3-5-10)24(9-21-12)17-14(27)13(26)11(8-25)28-17/h1-5,9,11,13-14,17,25-27H,6-8H2,(H3,19,20,22,23)/t11-,13-,14-,17-/s2
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n/an/a 68n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]NECA binding on rat brain adenosine A2 receptor


J Med Chem 34: 2570-9 (1991)


Article DOI: 10.1021/jm00112a035
BindingDB Entry DOI: 10.7270/Q2BZ66NN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50009508
PNG
(2-{6-Amino-2-[2-(4-bromo-thiophen-2-yl)-ethylamino...)
Show SMILES Nc1nc(NCCc2cc(Br)cs2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H19BrN6O4S/c17-7-3-8(28-5-7)1-2-19-16-21-13(18)10-14(22-16)23(6-20-10)15-12(26)11(25)9(4-24)27-15/h3,5-6,9,11-12,15,24-26H,1-2,4H2,(H3,18,19,21,22)/t9-,11-,12-,15-/m1/s1
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n/an/a 68n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]NECA binding on rat brain adenosine A2 receptor


J Med Chem 34: 2570-9 (1991)


Article DOI: 10.1021/jm00112a035
BindingDB Entry DOI: 10.7270/Q2BZ66NN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Homo sapiens (Human))
BDBM50182281
PNG
(CHEMBL3818205)
Show SMILES Cl.NC(N)=NC(=O)c1nc(Cl)c(NCCc2ccc3OCOc3c2)nc1N
Show InChI InChI=1S/C15H16ClN7O3.ClH/c16-11-13(22-12(17)10(21-11)14(24)23-15(18)19)20-4-3-7-1-2-8-9(5-7)26-6-25-8;/h1-2,5H,3-4,6H2,(H3,17,20,22)(H4,18,19,23,24);1H
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n/an/a 70n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM-241,385 from human N-terminal FLAG-tagged adenosine A2A receptor W246A 6.48 mutant expressed in HEK293 cell membrane by microb...


J Med Chem 59: 4769-77 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00142
BindingDB Entry DOI: 10.7270/Q2BC41GQ
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50009530
PNG
(3-(4-{2-[6-Amino-9-(3,4-dihydroxy-5-hydroxymethyl-...)
Show SMILES Nc1nc(NCCc2ccc(CCC(O)=O)cc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C21H26N6O6/c22-18-15-19(27(10-24-15)20-17(32)16(31)13(9-28)33-20)26-21(25-18)23-8-7-12-3-1-11(2-4-12)5-6-14(29)30/h1-4,10,13,16-17,20,28,31-32H,5-9H2,(H,29,30)(H3,22,23,25,26)/t13-,16-,17-,20?/m1/s1
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n/an/a 74n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]NECA binding on rat brain adenosine A2 receptor


J Med Chem 34: 2570-9 (1991)


Article DOI: 10.1021/jm00112a035
BindingDB Entry DOI: 10.7270/Q2BZ66NN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50009548
PNG
(2-[6-Amino-2-(4-phenyl-butylamino)-purin-9-yl]-5-h...)
Show SMILES C[C@H](CNc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccccc1
Show InChI InChI=1S/C19H24N6O4/c1-10(11-5-3-2-4-6-11)7-21-19-23-16(20)13-17(24-19)25(9-22-13)18-15(28)14(27)12(8-26)29-18/h2-6,9-10,12,14-15,18,26-28H,7-8H2,1H3,(H3,20,21,23,24)/t10-,12-,14-,15-,18-/m1/s1
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n/an/a 78n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]NECA binding on rat brain adenosine A2 receptor


J Med Chem 34: 2570-9 (1991)


Article DOI: 10.1021/jm00112a035
BindingDB Entry DOI: 10.7270/Q2BZ66NN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50453083
PNG
(CHEMBL2374398)
Show SMILES Nc1nc(NCCc2ccc(\C=C\c3ccccc3)cc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C26H28N6O4/c27-23-20-24(32(15-29-20)25-22(35)21(34)19(14-33)36-25)31-26(30-23)28-13-12-18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h1-11,15,19,21-22,25,33-35H,12-14H2,(H3,27,28,30,31)/b7-6+/t19-,21-,22-,25-/m1/s1
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n/an/a 87n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]NECA binding on rat brain adenosine A2 receptor


J Med Chem 34: 2570-9 (1991)


Article DOI: 10.1021/jm00112a035
BindingDB Entry DOI: 10.7270/Q2BZ66NN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50453082
PNG
(CHEMBL2374416)
Show SMILES CC(C)(C)OC(=O)Cc1cccc(CCNc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1
Show InChI InChI=1S/C24H32N6O6/c1-24(2,3)36-16(32)10-14-6-4-5-13(9-14)7-8-26-23-28-20(25)17-21(29-23)30(12-27-17)22-19(34)18(33)15(11-31)35-22/h4-6,9,12,15,18-19,22,31,33-34H,7-8,10-11H2,1-3H3,(H3,25,26,28,29)/t15-,18-,19-,22-/m1/s1
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n/an/a 89n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]NECA binding on rat brain adenosine A2 receptor


J Med Chem 34: 2570-9 (1991)


Article DOI: 10.1021/jm00112a035
BindingDB Entry DOI: 10.7270/Q2BZ66NN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50453085
PNG
(CHEMBL2374396)
Show SMILES Nc1nc(NCCCCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H32N6O4/c21-17-14-18(26(11-23-14)19-16(29)15(28)13(10-27)30-19)25-20(24-17)22-9-5-4-8-12-6-2-1-3-7-12/h11-13,15-16,19,27-29H,1-10H2,(H3,21,22,24,25)/t13-,15-,16-,19-/m1/s1
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n/an/a 93n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]NECA binding on rat brain adenosine A2 receptor


J Med Chem 34: 2570-9 (1991)


Article DOI: 10.1021/jm00112a035
BindingDB Entry DOI: 10.7270/Q2BZ66NN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50015748
PNG
(8-Fluoro-1-trifluoromethyl-[1,2,4]triazolo[4,3-a]q...)
Show SMILES Nc1nc2ccc(F)cc2n2c(nnc12)C(F)(F)F
Show InChI InChI=1S/C10H5F4N5/c11-4-1-2-5-6(3-4)19-8(7(15)16-5)17-18-9(19)10(12,13)14/h1-3H,(H2,15,16)
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n/an/a 100n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity towards the Adenosine A2 receptor in corpora striata of rats using [3H]NECA as radioligand.


J Med Chem 33: 2240-54 (1990)


Article DOI: 10.1021/jm00170a031
BindingDB Entry DOI: 10.7270/Q2PR7WKF
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50015788
PNG
(7-Methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-ylami...)
Show SMILES COc1ccc2c(c1)nc(N)c1nncn21
Show InChI InChI=1S/C10H9N5O/c1-16-6-2-3-8-7(4-6)13-9(11)10-14-12-5-15(8)10/h2-5H,1H3,(H2,11,13)
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n/an/a 100n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity towards the Adenosine A2 receptor in corpora striata of rats using [3H]NECA as radioligand.


J Med Chem 33: 2240-54 (1990)


Article DOI: 10.1021/jm00170a031
BindingDB Entry DOI: 10.7270/Q2PR7WKF
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50009528
PNG
(CHEMBL2374415 | [2-(4-{2-[6-Amino-9-(3,4-dihydroxy...)
Show SMILES Nc1nc(NCCCCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H26N6O4/c21-17-14-18(26(11-23-14)19-16(29)15(28)13(10-27)30-19)25-20(24-17)22-9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,11,13,15-16,19,27-29H,4-5,8-10H2,(H3,21,22,24,25)/t13-,15-,16-,19-/m1/s1
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n/an/a 112n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]NECA binding on rat brain adenosine A2 receptor


J Med Chem 34: 2570-9 (1991)


Article DOI: 10.1021/jm00112a035
BindingDB Entry DOI: 10.7270/Q2BZ66NN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50023503
PNG
(9-Chloro-2-thiophen-2-yl-[1,2,4]triazolo[1,5-c]qui...)
Show SMILES Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1cccs1
Show InChI InChI=1S/C13H8ClN5S/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16)
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n/an/a 116n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Inhibition of binding to Adenosine-2 receptor using [3H]NECA in rat striatum


J Med Chem 31: 1014-20 (1988)


Article DOI: 10.1021/jm00400a022
BindingDB Entry DOI: 10.7270/Q2T43S4W
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50009529
PNG
(2-(6-Amino-2-{2-[4-(2-cyclohexyl-ethyl)-phenyl]-et...)
Show SMILES Nc1nc(NCCc2ccc(CCC3CCCCC3)cc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C26H36N6O4/c27-23-20-24(32(15-29-20)25-22(35)21(34)19(14-33)36-25)31-26(30-23)28-13-12-18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h8-11,15-16,19,21-22,25,33-35H,1-7,12-14H2,(H3,27,28,30,31)/t19-,21-,22-,25-/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]NECA binding on rat brain adenosine A2 receptor


J Med Chem 34: 2570-9 (1991)


Article DOI: 10.1021/jm00112a035
BindingDB Entry DOI: 10.7270/Q2BZ66NN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Homo sapiens (Human))
BDBM50182283
PNG
(CHEMBL3819313)
Show SMILES Cl.COc1ccc(CCNc2nc(N)c(nc2Cl)C(=O)N=C(N)N)cc1
Show InChI InChI=1S/C15H18ClN7O2.ClH/c1-25-9-4-2-8(3-5-9)6-7-20-13-11(16)21-10(12(17)22-13)14(24)23-15(18)19;/h2-5H,6-7H2,1H3,(H3,17,20,22)(H4,18,19,23,24);1H
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n/an/a 120n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM-241,385 from human N-terminal FLAG-tagged adenosine A2A receptor W246A 6.48 mutant expressed in HEK293 cell membrane by microb...


J Med Chem 59: 4769-77 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00142
BindingDB Entry DOI: 10.7270/Q2BC41GQ
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50009540
PNG
((3-{2-[6-Amino-9-(3,4-dihydroxy-5-hydroxymethyl-te...)
Show SMILES Nc1nc(NCCC2CCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H26N6O4/c18-14-11-15(22-17(21-14)19-6-5-9-3-1-2-4-9)23(8-20-11)16-13(26)12(25)10(7-24)27-16/h8-10,12-13,16,24-26H,1-7H2,(H3,18,19,21,22)/t10-,12-,13-,16-/m1/s1
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n/an/a 132n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]NECA binding on rat brain adenosine A2 receptor


J Med Chem 34: 2570-9 (1991)


Article DOI: 10.1021/jm00112a035
BindingDB Entry DOI: 10.7270/Q2BZ66NN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50453081
PNG
(CHEMBL2374397)
Show SMILES Nc1nc(NCCCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H30N6O4/c20-16-13-17(25(10-22-13)18-15(28)14(27)12(9-26)29-18)24-19(23-16)21-8-4-7-11-5-2-1-3-6-11/h10-12,14-15,18,26-28H,1-9H2,(H3,20,21,23,24)/t12-,14-,15-,18-/m1/s1
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n/an/a 132n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]NECA binding on rat brain adenosine A2 receptor


J Med Chem 34: 2570-9 (1991)


Article DOI: 10.1021/jm00112a035
BindingDB Entry DOI: 10.7270/Q2BZ66NN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50009542
PNG
(2-[6-Amino-2-(4-cyclohexyl-butylamino)-purin-9-yl]...)
Show SMILES CC1(C)[C@@H]2C[C@H]1C=C(CCNc1nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n1)C2
Show InChI InChI=1S/C21H30N6O4/c1-21(2)11-5-10(6-12(21)7-11)3-4-23-20-25-17(22)14-18(26-20)27(9-24-14)19-16(30)15(29)13(8-28)31-19/h5,9,11-13,15-16,19,28-30H,3-4,6-8H2,1-2H3,(H3,22,23,25,26)/t11-,12+,13-,15-,16-,19-/m1/s1
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n/an/a 138n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]NECA binding on rat brain adenosine A2 receptor


J Med Chem 34: 2570-9 (1991)


Article DOI: 10.1021/jm00112a035
BindingDB Entry DOI: 10.7270/Q2BZ66NN
More data for this
Ligand-Target Pair
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