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Compile Data Set for Download or QSAR

Found 212 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 receptor 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 receptor 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)


BindingDB Entry DOI: 10.7270/Q2S46R66
More data for this
Ligand-Target Pair
Adenosine receptor 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 receptor A2a


(Rattus norvegicus (rat))		BDBM571388
PNG
(US11440916, HZ10136)
Show SMILES COc1ccc(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
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n/an/a 1.10n/an/an/an/an/an/a


TBA

Assay Description
The IC50 (nM) values of the example compound HZ10126 and several reference compounds against the rat A2A receptor were measured in an in vitro assay,...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2XD14X8
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50202993
PNG
(2-furan-2-yl-7-[2-(4-phenyl-piperazin-1-yl)-ethyl]...)
Show SMILES Nc1nc2n(CCN3CCN(CC3)c3ccccc3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C22H23N9O/c23-22-26-20-17(21-25-19(27-31(21)22)18-7-4-14-32-18)15-24-30(20)13-10-28-8-11-29(12-9-28)16-5-2-1-3-6-16/h1-7,14-15H,8-13H2,(H2,23,26)
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n/an/a 1.20n/an/an/an/an/an/a


TBA

Assay Description
The IC50 (nM) values of the example compound HZ10126 and several reference compounds against the rat A2A receptor were measured in an in vitro assay,...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2XD14X8
More data for this
Ligand-Target Pair
Adenosine receptor 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)


BindingDB Entry DOI: 10.7270/Q2S46R66
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50048466
PNG
(2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,...)
Show SMILES Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22)
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n/an/a 1.80n/an/an/an/an/an/a


TBA

Assay Description
The IC50 (nM) values of the example compound HZ10126 and several reference compounds against the rat A2A receptor were measured in an in vitro assay,...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2XD14X8
More data for this
Ligand-Target Pair
Adenosine receptor 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 A1/A2a/A2b/A3


(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 |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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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)


BindingDB Entry DOI: 10.7270/Q2QR50B3
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50202986
PNG
(2-furan-2-yl-7-(2-{4-[4-(2-methoxy-ethoxy)-phenyl]...)
Show SMILES COCCOc1ccc(cc1)N1CCN(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)CC1
Show InChI InChI=1S/C25H29N9O3/c1-35-15-16-36-19-6-4-18(5-7-19)32-11-8-31(9-12-32)10-13-33-23-20(17-27-33)24-28-22(21-3-2-14-37-21)30-34(24)25(26)29-23/h2-7,14,17H,8-13,15-16H2,1H3,(H2,26,29)
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n/an/a 2.5n/an/an/an/an/an/a


TBA

Assay Description
The IC50 (nM) values of the example compound HZ10126 and several reference compounds against the rat A2A receptor were measured in an in vitro assay,...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2XD14X8
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(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)


BindingDB Entry DOI: 10.7270/Q2PR7WKF
More data for this
Ligand-Target Pair
Adenosine receptor 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)


BindingDB Entry DOI: 10.7270/Q2S46R66
More data for this
Ligand-Target Pair
Adenosine receptor 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 receptor 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 receptor A2a/A2b


(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)


BindingDB Entry DOI: 10.7270/Q2T43S4W
More data for this
Ligand-Target Pair
Adenosine receptor 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 A1/A2a/A2b/A3


(Rattus norvegicus (rat))		BDBM50224560
PNG
(CHEMBL605654)
Show SMILES CCCNc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
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)


BindingDB Entry DOI: 10.7270/Q2QR50B3
More data for this
Ligand-Target Pair
Adenosine receptor 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 |c:29|
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 receptor 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 receptor A2a/A2b


(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)


BindingDB Entry DOI: 10.7270/Q2T43S4W
More data for this
Ligand-Target Pair
Adenosine receptor 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 receptor 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		3D
3D Structure (crystal)
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50382493
PNG
(CHEMBL2024116)
Show SMILES Cc1cc(cc(C)n1)-c1nnc(N)nc1-c1ccc(F)cc1
Show InChI InChI=1S/C16H14FN5/c1-9-7-12(8-10(2)19-9)15-14(20-16(18)22-21-15)11-3-5-13(17)6-4-11/h3-8H,1-2H3,(H2,18,20,22)
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n/an/a 9.70n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at rat adenosine 2A receptor assessed as reduction in cAMP level in presence of 0.1 uM adenosine

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00237
BindingDB Entry DOI: 10.7270/Q2M330F6
More data for this
Ligand-Target Pair
Adenosine receptor 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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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)


BindingDB Entry DOI: 10.7270/Q2S46R66
More data for this
Ligand-Target Pair
Adenosine receptor 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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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)


BindingDB Entry DOI: 10.7270/Q2S46R66
More data for this
Ligand-Target Pair
Adenosine receptor 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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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)


BindingDB Entry DOI: 10.7270/Q2S46R66
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(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 |t:7|
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)


BindingDB Entry DOI: 10.7270/Q2BZ66NN
More data for this
Ligand-Target Pair
Adenosine receptor 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 |r|
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 receptor A2a/A2b


(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)


BindingDB Entry DOI: 10.7270/Q2BZ66NN
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Adenosine receptor A2a/A2b


(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)


BindingDB Entry DOI: 10.7270/Q2BZ66NN
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(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)


BindingDB Entry DOI: 10.7270/Q2PR7WKF
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Adenosine receptor A2a/A2b


(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)


BindingDB Entry DOI: 10.7270/Q2T43S4W
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(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)


BindingDB Entry DOI: 10.7270/Q2PR7WKF
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(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)


BindingDB Entry DOI: 10.7270/Q2BZ66NN
More data for this
Ligand-Target Pair
Adenosine receptor 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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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)


BindingDB Entry DOI: 10.7270/Q2NK3DDV
More data for this
Ligand-Target Pair
Adenosine receptor 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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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 A2a/A2b


(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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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)


BindingDB Entry DOI: 10.7270/Q2PR7WKF
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(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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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)


BindingDB Entry DOI: 10.7270/Q2BZ66NN
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(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)


BindingDB Entry DOI: 10.7270/Q2BZ66NN
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(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)


BindingDB Entry DOI: 10.7270/Q2PN967D
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Adenosine receptor A2a/A2b


(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 |TLB:14:9:16:13.15.12,14:13:16:9.8.10,THB:12:11:8:13.15.14,12:13:8:11.16.10|
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)


BindingDB Entry DOI: 10.7270/Q2BZ66NN
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(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)


BindingDB Entry DOI: 10.7270/Q2T43S4W
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(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)


BindingDB Entry DOI: 10.7270/Q2PR7WKF
More data for this
Ligand-Target Pair
Adenosine receptor 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 receptor A2a/A2b


(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)


BindingDB Entry DOI: 10.7270/Q2PR7WKF
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(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)


BindingDB Entry DOI: 10.7270/Q2BZ66NN
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(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)


BindingDB Entry DOI: 10.7270/Q2PR7WKF
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(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)


BindingDB Entry DOI: 10.7270/Q2BZ66NN
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(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)


BindingDB Entry DOI: 10.7270/Q2PR7WKF
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(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)


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