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Compile Data Set for Download or QSAR

Found 204 hits of ic50 for UniProtKB: P30543   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50018697
PNG
(CHEMBL3291310)
Show SMILES Nc1nc(nc2n(CC#C)c(nc12)-c1ccco1)C#CC1(O)CCCCC1
Show InChI InChI=1S/C20H19N5O2/c1-2-12-25-18(14-7-6-13-27-14)24-16-17(21)22-15(23-19(16)25)8-11-20(26)9-4-3-5-10-20/h1,6-7,13,26H,3-5,9-10,12H2,(H2,21,22,23)
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n/an/a 0.400n/an/an/an/an/an/a



Yamasa Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2A receptor in 5-HT-treated Wistar rat femoral vein assessed as inhibition of 2-octyn-1-yladenosine-induced vasodil...


Bioorg Med Chem 22: 3072-82 (2014)


Article DOI: 10.1016/j.bmc.2014.04.041
BindingDB Entry DOI: 10.7270/Q2348MXH
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50095604
PNG
(4-[3-(8-Cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetr...)
Show SMILES CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1
Show InChI InChI=1S/C24H30FN5O5S/c1-2-14-30-23(32)19-21(28-20(27-19)16-7-4-3-5-8-16)29(24(30)33)15-6-13-26-22(31)17-9-11-18(12-10-17)36(25,34)35/h9-12,16H,2-8,13-15H2,1H3,(H,26,31)(H,27,28)
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n/an/a 0.420n/an/an/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ZM-241,385 binding to adenosine A2A receptor(AR).


J Med Chem 43: 4973-80 (2001)


Article DOI: 10.1021/jm000181f
BindingDB Entry DOI: 10.7270/Q2S46R66
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50018695
PNG
(CHEMBL3291308)
Show SMILES Nc1nc(nc2n(CC#C)c(Br)nc12)C#CC1(O)CCCCC1
Show InChI InChI=1S/C16H16BrN5O/c1-2-10-22-14-12(21-15(22)17)13(18)19-11(20-14)6-9-16(23)7-4-3-5-8-16/h1,23H,3-5,7-8,10H2,(H2,18,19,20)
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n/an/a 0.5n/an/an/an/an/an/a



Yamasa Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2A receptor in 5-HT-treated Wistar rat femoral vein assessed as inhibition of 2-octyn-1-yladenosine-induced vasodil...


Bioorg Med Chem 22: 3072-82 (2014)


Article DOI: 10.1016/j.bmc.2014.04.041
BindingDB Entry DOI: 10.7270/Q2348MXH
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50039676
PNG
(4-Fluorosulfonyl-benzoic acid 3-(8-cyclopentyl-2,6...)
Show SMILES CCCn1c(=O)n(CCCOC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C23H27FN4O6S/c1-2-12-28-21(29)18-20(26-19(25-18)15-6-3-4-7-15)27(23(28)31)13-5-14-34-22(30)16-8-10-17(11-9-16)35(24,32)33/h8-11,15H,2-7,12-14H2,1H3,(H,25,26)
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n/an/a 1.20n/an/an/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ZM-241,385 binding to adenosine A2A receptor(AR).


J Med Chem 43: 4973-80 (2001)


Article DOI: 10.1021/jm000181f
BindingDB Entry DOI: 10.7270/Q2S46R66
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50018693
PNG
(CHEMBL3291306)
Show SMILES CCCCCCC#Cc1nc(N)c2nc(-n3nccn3)n(CC#C)c2n1
Show InChI InChI=1S/C18H20N8/c1-3-5-6-7-8-9-10-14-22-16(19)15-17(23-14)25(13-4-2)18(24-15)26-20-11-12-21-26/h2,11-12H,3,5-8,13H2,1H3,(H2,19,22,23)
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n/an/a 1.90n/an/an/an/an/an/a



Yamasa Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2A receptor in 5-HT-treated Wistar rat femoral vein assessed as inhibition of 2-octyn-1-yladenosine-induced vasodil...


Bioorg Med Chem 22: 3072-82 (2014)


Article DOI: 10.1016/j.bmc.2014.04.041
BindingDB Entry DOI: 10.7270/Q2348MXH
More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
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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n/an/a 2.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from rat brain adenosine receptor


J Med Chem 26: 1601-6 (1983)


Article DOI: 10.1021/jm00365a010
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 2.80n/an/an/an/an/an/a



Pfizer Central Research

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 Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50095602
PNG
(4-[3-(8-Cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tet...)
Show SMILES CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C23H28FN5O5S/c1-2-13-29-22(31)18-20(27-19(26-18)15-6-3-4-7-15)28(23(29)32)14-5-12-25-21(30)16-8-10-17(11-9-16)35(24,33)34/h8-11,15H,2-7,12-14H2,1H3,(H,25,30)(H,26,27)
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n/an/a 2.80n/an/an/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ZM-241,385 binding to adenosine A2A receptor(AR).


J Med Chem 43: 4973-80 (2001)


Article DOI: 10.1021/jm000181f
BindingDB Entry DOI: 10.7270/Q2S46R66
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50018696
PNG
(CHEMBL3291309)
Show SMILES Nc1nc(nc2n(CC#C)c(Cl)nc12)C#CC1(O)CCCCC1
Show InChI InChI=1S/C16H16ClN5O/c1-2-10-22-14-12(21-15(22)17)13(18)19-11(20-14)6-9-16(23)7-4-3-5-8-16/h1,23H,3-5,7-8,10H2,(H2,18,19,20)
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n/an/a 3n/an/an/an/an/an/a



Yamasa Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2A receptor in 5-HT-treated Wistar rat femoral vein assessed as inhibition of 2-octyn-1-yladenosine-induced vasodil...


Bioorg Med Chem 22: 3072-82 (2014)


Article DOI: 10.1016/j.bmc.2014.04.041
BindingDB Entry DOI: 10.7270/Q2348MXH
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(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



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A2A receptor from rat striatal membranes using [3H]-CGH 21680


J Med Chem 39: 4142-8 (1996)


Article DOI: 10.1021/jm960482i
BindingDB Entry DOI: 10.7270/Q2FQ9VQ2
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 Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50018692
PNG
(CHEMBL3291305)
Show SMILES CCCCCCC#Cc1nc(N)c2nc(-c3ccco3)n(CC#C)c2n1
Show InChI InChI=1S/C20H21N5O/c1-3-5-6-7-8-9-12-16-22-18(21)17-20(23-16)25(13-4-2)19(24-17)15-11-10-14-26-15/h2,10-11,14H,3,5-8,13H2,1H3,(H2,21,22,23)
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n/an/a 3.60n/an/an/an/an/an/a



Yamasa Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2A receptor in 5-HT-treated Wistar rat femoral vein assessed as inhibition of 2-octyn-1-yladenosine-induced vasodil...


Bioorg Med Chem 22: 3072-82 (2014)


Article DOI: 10.1016/j.bmc.2014.04.041
BindingDB Entry DOI: 10.7270/Q2348MXH
More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
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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n/an/a 3.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from rat brain adenosine receptor


J Med Chem 26: 1601-6 (1983)


Article DOI: 10.1021/jm00365a010
More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM50224560
PNG
(CHEMBL605654)
Show SMILES CCCNc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C13H19N5O4/c1-2-3-14-11-8-12(16-5-15-11)18(6-17-8)13-10(21)9(20)7(4-19)22-13/h5-7,9-10,13,19-21H,2-4H2,1H3,(H,14,15,16)/t7-,9-,10-,13?/m1/s1
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from rat brain adenosine receptor


J Med Chem 26: 1601-6 (1983)


Article DOI: 10.1021/jm00365a010
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50053927
PNG
(7-Methyl-2-phenyl-4-((E)-styryl)-1,4-dihydro-quino...)
Show SMILES CCOC(=O)C1C(\C=C\c2ccccc2)c2cc(C(=O)OCC)c(C)cc2N=C1c1ccccc1
Show InChI InChI=1S/C30H29NO4/c1-4-34-29(32)24-19-25-23(17-16-21-12-8-6-9-13-21)27(30(33)35-5-2)28(22-14-10-7-11-15-22)31-26(25)18-20(24)3/h6-19,23,27H,4-5H2,1-3H3/b17-16+
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n/an/a 4.77n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A2A receptor from rat striatal membranes using [3H]-CGH 21680


J Med Chem 39: 4142-8 (1996)


Article DOI: 10.1021/jm960482i
BindingDB Entry DOI: 10.7270/Q2FQ9VQ2
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50018688
PNG
(CHEMBL3291301)
Show SMILES CCCCCCC#Cc1nc(N)c2nc(Br)n(CC#C)c2n1
Show InChI InChI=1S/C16H18BrN5/c1-3-5-6-7-8-9-10-12-19-14(18)13-15(20-12)22(11-4-2)16(17)21-13/h2H,3,5-8,11H2,1H3,(H2,18,19,20)
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n/an/a 5.10n/an/an/an/an/an/a



Yamasa Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2A receptor in 5-HT-treated Wistar rat femoral vein assessed as inhibition of 2-octyn-1-yladenosine-induced vasodil...


Bioorg Med Chem 22: 3072-82 (2014)


Article DOI: 10.1016/j.bmc.2014.04.041
BindingDB Entry DOI: 10.7270/Q2348MXH
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 Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50018689
PNG
(CHEMBL3291302)
Show SMILES CCCCCCC#Cc1nc(N)c2nc(Cl)n(CC#C)c2n1
Show InChI InChI=1S/C16H18ClN5/c1-3-5-6-7-8-9-10-12-19-14(18)13-15(20-12)22(11-4-2)16(17)21-13/h2H,3,5-8,11H2,1H3,(H2,18,19,20)
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n/an/a 6n/an/an/an/an/an/a



Yamasa Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2A receptor in 5-HT-treated Wistar rat femoral vein assessed as inhibition of 2-octyn-1-yladenosine-induced vasodil...


Bioorg Med Chem 22: 3072-82 (2014)


Article DOI: 10.1016/j.bmc.2014.04.041
BindingDB Entry DOI: 10.7270/Q2348MXH
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(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 7.05n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX-2 from rat adenosine A2A receptor


Eur J Med Chem 46: 3590-607 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50095605
PNG
(4-[3-(8-Cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetr...)
Show SMILES CCCn1c(=O)n(CCCc2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1
Show InChI InChI=1S/C23H29FN4O4S/c1-2-14-28-22(29)19-21(26-20(25-19)17-8-4-3-5-9-17)27(23(28)30)15-6-7-16-10-12-18(13-11-16)33(24,31)32/h10-13,17H,2-9,14-15H2,1H3,(H,25,26)
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n/an/a>10n/an/an/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ZM-241,385 binding to adenosine A2A receptor(AR).


J Med Chem 43: 4973-80 (2001)


Article DOI: 10.1021/jm000181f
BindingDB Entry DOI: 10.7270/Q2S46R66
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50095606
PNG
(4-(8-Cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahy...)
Show SMILES CCCn1c(=O)n(Cc2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1
Show InChI InChI=1S/C21H25FN4O4S/c1-2-12-25-20(27)17-19(24-18(23-17)15-6-4-3-5-7-15)26(21(25)28)13-14-8-10-16(11-9-14)31(22,29)30/h8-11,15H,2-7,12-13H2,1H3,(H,23,24)
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n/an/a>10n/an/an/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ZM-241,385 binding to adenosine A2A receptor(AR).


J Med Chem 43: 4973-80 (2001)


Article DOI: 10.1021/jm000181f
BindingDB Entry DOI: 10.7270/Q2S46R66
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50095603
PNG
(4-[5-(8-Cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetr...)
Show SMILES CCCn1c(=O)n(CCCCCc2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1
Show InChI InChI=1S/C25H33FN4O4S/c1-2-16-30-24(31)21-23(28-22(27-21)19-10-6-3-7-11-19)29(25(30)32)17-8-4-5-9-18-12-14-20(15-13-18)35(26,33)34/h12-15,19H,2-11,16-17H2,1H3,(H,27,28)
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n/an/a>10n/an/an/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ZM-241,385 binding to adenosine A2A receptor(AR).


J Med Chem 43: 4973-80 (2001)


Article DOI: 10.1021/jm000181f
BindingDB Entry DOI: 10.7270/Q2S46R66
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 Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50275963
PNG
((S)-N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(3-fluor...)
Show SMILES CN1CC[C@@H](C1)Oc1cc(F)cc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
Show InChI InChI=1S/C22H25FN6O2/c1-13-7-14(2)29(27-13)22-25-20(11-21(26-22)24-15(3)30)16-8-17(23)10-19(9-16)31-18-5-6-28(4)12-18/h7-11,18H,5-6,12H2,1-4H3,(H,24,25,26,30)/t18-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Activity at adenosine A2A receptor in rat PC12 cells assessed as intracellular cAMP accumulation


Bioorg Med Chem Lett 18: 5402-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.048
BindingDB Entry DOI: 10.7270/Q28K78ZG
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
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 Central Research

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))
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 Central Research

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 Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50018691
PNG
(CHEMBL3291304)
Show SMILES CCCCCCC#Cc1nc(N)c2nc(-c3cccc(F)c3)n(CC#C)c2n1
Show InChI InChI=1S/C22H22FN5/c1-3-5-6-7-8-9-13-18-25-20(24)19-22(26-18)28(14-4-2)21(27-19)16-11-10-12-17(23)15-16/h2,10-12,15H,3,5-8,14H2,1H3,(H2,24,25,26)
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n/an/a 23n/an/an/an/an/an/a



Yamasa Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2A receptor in 5-HT-treated Wistar rat femoral vein assessed as inhibition of 2-octyn-1-yladenosine-induced vasodil...


Bioorg Med Chem 22: 3072-82 (2014)


Article DOI: 10.1016/j.bmc.2014.04.041
BindingDB Entry DOI: 10.7270/Q2348MXH
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(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



CV Therapeutics

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A2A receptor using [3H]-ZM-241,38 in rat


Bioorg Med Chem Lett 12: 2935-9 (2002)


Article DOI: 10.1016/s0960-894x(02)00609-1
BindingDB Entry DOI: 10.7270/Q2NK3DDV
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 Central Research

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))
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))
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
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))
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))
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 Central Research

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 Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM26236
PNG
(CHEMBL487569 | N-[6-(3,5-dimethoxyphenyl)-2-(3,5-d...)
Show SMILES COc1cc(OC)cc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
Show InChI InChI=1S/C19H21N5O3/c1-11-6-12(2)24(23-11)19-21-17(10-18(22-19)20-13(3)25)14-7-15(26-4)9-16(8-14)27-5/h6-10H,1-5H3,(H,20,21,22,25)
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n/an/a 29n/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Activity at adenosine A2A receptor in rat PC12 cells assessed as intracellular cAMP accumulation


Bioorg Med Chem Lett 18: 5402-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.048
BindingDB Entry DOI: 10.7270/Q28K78ZG
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 Central Research

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 Central Research

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 Central Research

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))
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 Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50275803
PNG
(CHEMBL469324 | N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)...)
Show SMILES CN1CCC(C1)Oc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
Show InChI InChI=1S/C22H26N6O2/c1-14-10-15(2)28(26-14)22-24-20(12-21(25-22)23-16(3)29)17-6-5-7-18(11-17)30-19-8-9-27(4)13-19/h5-7,10-12,19H,8-9,13H2,1-4H3,(H,23,24,25,29)
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n/an/a 42n/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Activity at adenosine A2A receptor in rat PC12 cells assessed as intracellular cAMP accumulation


Bioorg Med Chem Lett 18: 5402-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.048
BindingDB Entry DOI: 10.7270/Q28K78ZG
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))
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 Central Research

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))
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
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