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Compile Data Set for Download or QSAR

Found 2099 hits Enz. Inhib. hit(s) with Target = 'Adenosine Receptors A2a (A2a)'   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine 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...


Citation and Details
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)

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...


Citation and Details
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)

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...


Citation and Details
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)

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...


Citation and Details
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


Citation and Details
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...


Citation and Details
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


Citation and Details
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...


Citation and Details
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...


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)

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)

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)

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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50119145
PNG
((2R,3R,4S,5R)-2-{6-Amino-2-[2-(4-methoxy-phenyl)-e...)
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)

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...


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(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=1S/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-/m1/s1
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n/an/a 68n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2A receptor in rat striatal membranes b displacement of [3H]-CGS- 21680


J Med Chem 38: 1174-88 (1995)

More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50018690
PNG
(CHEMBL3291303)
Show SMILES CCCCCCC#Cc1nc(N)c2nc(-c3ccccc3)n(CC#C)c2n1
Show InChI InChI=1S/C22H23N5/c1-3-5-6-7-8-12-15-18-24-20(23)19-22(25-18)27(16-4-2)21(26-19)17-13-10-9-11-14-17/h2,9-11,13-14H,3,5-8,16H2,1H3,(H2,23,24,25)
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n/an/a 76n/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...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50018694
PNG
(CHEMBL3291307)
Show SMILES Nc1nc(nc2n(CC#C)cnc12)C#CC1(O)CCCCC1
Show InChI InChI=1S/C16H17N5O/c1-2-10-21-11-18-13-14(17)19-12(20-15(13)21)6-9-16(22)7-4-3-5-8-16/h1,11,22H,3-5,7-8,10H2,(H2,17,19,20)
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n/an/a 97n/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...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50450928
PNG
(CHEMBL2113728)
Show SMILES OC(=O)C[C@@H]1CCCC[C@H]1n1nc(ccc1=O)-c1c(nn2ccccc12)-c1ccccc1
Show InChI InChI=1S/C25H24N4O3/c30-22-14-13-19(26-29(22)20-11-5-4-10-18(20)16-23(31)32)24-21-12-6-7-15-28(21)27-25(24)17-8-2-1-3-9-17/h1-3,6-9,12-15,18,20H,4-5,10-11,16H2,(H,31,32)/t18-,20+/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Adenosine A2a receptor using [3H]-NECA in rat striatal membranes


Bioorg Med Chem Lett 9: 1979-84 (1999)

More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50053924
PNG
(3,6-Dichloro-2-(2-isopropoxy-4-methyl-phenyl)-chro...)
Show SMILES CC(C)Oc1cc(C)ccc1-c1oc2ccc(Cl)cc2c(=O)c1Cl
Show InChI InChI=1S/C19H16Cl2O3/c1-10(2)23-16-8-11(3)4-6-13(16)19-17(21)18(22)14-9-12(20)5-7-15(14)24-19/h4-10H,1-3H3
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n/an/a>100n/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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50018683
PNG
(CHEMBL3291296)
Show SMILES CCCCCCC#Cc1nc(N)c2ncn(CC#C)c2n1
Show InChI InChI=1S/C16H19N5/c1-3-5-6-7-8-9-10-13-19-15(17)14-16(20-13)21(11-4-2)12-18-14/h2,12H,3,5-8,11H2,1H3,(H2,17,19,20)
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n/an/a 200n/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...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50176050
PNG
(8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...)
Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O
Show InChI InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+
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n/an/a 228n/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...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50393188
PNG
(CHEMBL2153620)
Show SMILES CC1CCC(CC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21
Show InChI InChI=1S/C17H25N5O2/c1-11-5-7-12(8-6-11)21-9-4-10-22-13-14(18-16(21)22)19(2)17(24)20(3)15(13)23/h11-12H,4-10H2,1-3H3
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n/an/a 251n/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 in presence of 100 mM NaCl


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50393188
PNG
(CHEMBL2153620)
Show SMILES CC1CCC(CC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21
Show InChI InChI=1S/C17H25N5O2/c1-11-5-7-12(8-6-11)21-9-4-10-22-13-14(18-16(21)22)19(2)17(24)20(3)15(13)23/h11-12H,4-10H2,1-3H3
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n/an/a 263n/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


Citation and Details
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 366n/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 in presence of 100 mM NaCl


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50023498
PNG
(2-(5-Bromo-furan-2-yl)-9-chloro-[1,2,4]triazolo[1,...)
Show SMILES Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccc(Br)o1
Show InChI InChI=1S/C13H7BrClN5O/c14-10-4-3-9(21-10)11-18-12-7-5-6(15)1-2-8(7)17-13(16)20(12)19-11/h1-5H,(H2,16,17)
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n/an/a 531n/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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50079655
PNG
(CHEMBL294302 | {2-[6-Oxo-3-(2-phenyl-pyrazolo[1,5-...)
Show SMILES OC(=O)CC1=C(CCC1)n1nc(ccc1=O)-c1c(nn2ccccc12)-c1ccccc1
Show InChI InChI=1S/C24H20N4O3/c29-21-13-12-18(25-28(21)19-11-6-9-17(19)15-22(30)31)23-20-10-4-5-14-27(20)26-24(23)16-7-2-1-3-8-16/h1-5,7-8,10,12-14H,6,9,11,15H2,(H,30,31)
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n/an/a 840n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Adenosine A2a receptor using [3H]-NECA in rat striatal membranes


Bioorg Med Chem Lett 9: 1979-84 (1999)

More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Adenosine A2a receptor using [3H]-NECA in rat striatal membranes


Bioorg Med Chem Lett 9: 1979-84 (1999)

More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50208945
PNG
(CHEMBL224024 | N6-(4-hydroxybenzyl)adenine ribosid...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(O)cc3)ncnc12
Show InChI InChI=1S/C17H19N5O5/c23-6-11-13(25)14(26)17(27-11)22-8-21-12-15(19-7-20-16(12)22)18-5-9-1-3-10(24)4-2-9/h1-4,7-8,11,13-14,17,23-26H,5-6H2,(H,18,19,20)/t11-,13-,14-,17-/m1/s1
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n/an/a 4.66E+3n/an/an/an/an/an/a



National Research Institute of Chinese Medicine

Curated by ChEMBL


Assay Description
Binding affinity to adenosine A2A receptor in rat brain striatum


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50079649
PNG
(CHEMBL59466 | {2-[6-Oxo-3-(2-phenyl-pyrazolo[1,5-a...)
Show SMILES OC(=O)CC1=C(CCCCC1)n1nc(ccc1=O)-c1c(nn2ccccc12)-c1ccccc1
Show InChI InChI=1S/C26H24N4O3/c31-23-15-14-20(27-30(23)21-12-6-2-5-11-19(21)17-24(32)33)25-22-13-7-8-16-29(22)28-26(25)18-9-3-1-4-10-18/h1,3-4,7-10,13-16H,2,5-6,11-12,17H2,(H,32,33)
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n/an/a 5.50E+3n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Adenosine A2a receptor using [3H]-NECA in rat striatal membranes


Bioorg Med Chem Lett 9: 1979-84 (1999)

More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50450927
PNG
(CHEMBL2113729)
Show SMILES OC(=O)C[C@H]1CCCC[C@H]1n1nc(ccc1=O)-c1c(nn2ccccc12)-c1ccccc1
Show InChI InChI=1S/C25H24N4O3/c30-22-14-13-19(26-29(22)20-11-5-4-10-18(20)16-23(31)32)24-21-12-6-7-15-28(21)27-25(24)17-8-2-1-3-9-17/h1-3,6-9,12-15,18,20H,4-5,10-11,16H2,(H,31,32)/t18-,20-/m1/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Adenosine A2a receptor using [3H]-NECA in rat striatal membranes


Bioorg Med Chem Lett 9: 1979-84 (1999)

More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50079654
PNG
(4-(6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)py...)
Show SMILES OC(=O)CCCn1nc(ccc1=O)-c1c(nn2ccccc12)-c1ccccc1
Show InChI InChI=1S/C21H18N4O3/c26-18-12-11-16(22-25(18)14-6-10-19(27)28)20-17-9-4-5-13-24(17)23-21(20)15-7-2-1-3-8-15/h1-5,7-9,11-13H,6,10,14H2,(H,27,28)
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n/an/a 5.90E+3n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Adenosine A2a receptor using [3H]-NECA in rat striatal membranes


Bioorg Med Chem Lett 9: 1979-84 (1999)

More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50079650
PNG
(CHEMBL59673 | FR-166124 | {2-[6-Oxo-3-(2-phenyl-py...)
Show SMILES OC(=O)CC1=C(CCCC1)n1nc(ccc1=O)-c1c(nn2ccccc12)-c1ccccc1
Show InChI InChI=1S/C25H22N4O3/c30-22-14-13-19(26-29(22)20-11-5-4-10-18(20)16-23(31)32)24-21-12-6-7-15-28(21)27-25(24)17-8-2-1-3-9-17/h1-3,6-9,12-15H,4-5,10-11,16H2,(H,31,32)
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n/an/a 6.20E+3n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Adenosine A2a receptor using [3H]-NECA in rat striatal membranes


Bioorg Med Chem Lett 9: 1979-84 (1999)

More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50018680
PNG
(CHEMBL3291293)
Show SMILES CCCCCCC#Cc1nc(N)c2ncn(CC)c2n1
Show InChI InChI=1S/C15H21N5/c1-3-5-6-7-8-9-10-12-18-14(16)13-15(19-12)20(4-2)11-17-13/h11H,3-8H2,1-2H3,(H2,16,18,19)
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n/an/a 6.70E+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...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50018679
PNG
(CHEMBL3291292)
Show SMILES CCCCCCC#Cc1nc(N)c2ncn(C)c2n1
Show InChI InChI=1S/C14H19N5/c1-3-4-5-6-7-8-9-11-17-13(15)12-14(18-11)19(2)10-16-12/h10H,3-7H2,1-2H3,(H2,15,17,18)
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n/an/a 9.00E+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...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50018684
PNG
(CHEMBL3291297)
Show SMILES CCCCCCC#Cc1nc(N)c2ncn(CC#N)c2n1
Show InChI InChI=1S/C15H18N6/c1-2-3-4-5-6-7-8-12-19-14(17)13-15(20-12)21(10-9-16)11-18-13/h11H,2-6,10H2,1H3,(H2,17,19,20)
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n/an/a>1.00E+4n/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...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50018687
PNG
(CHEMBL3291300)
Show SMILES CCCCCCC#Cc1nc(N)c2ncn(Cc3ccccc3)c2n1
Show InChI InChI=1S/C20H23N5/c1-2-3-4-5-6-10-13-17-23-19(21)18-20(24-17)25(15-22-18)14-16-11-8-7-9-12-16/h7-9,11-12,15H,2-6,14H2,1H3,(H2,21,23,24)
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n/an/a>1.00E+4n/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...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50018686
PNG
(CHEMBL3291299)
Show SMILES CCCCCCC#Cc1nc(N)c2ncn(C3CCCC3)c2n1
Show InChI InChI=1S/C18H25N5/c1-2-3-4-5-6-7-12-15-21-17(19)16-18(22-15)23(13-20-16)14-10-8-9-11-14/h13-14H,2-6,8-11H2,1H3,(H2,19,21,22)
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n/an/a>1.00E+4n/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...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50018682
PNG
(CHEMBL3291295)
Show SMILES CCCCCCC#Cc1nc(N)c2ncn(CC=C)c2n1
Show InChI InChI=1S/C16H21N5/c1-3-5-6-7-8-9-10-13-19-15(17)14-16(20-13)21(11-4-2)12-18-14/h4,12H,2-3,5-8,11H2,1H3,(H2,17,19,20)
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n/an/a>1.00E+4n/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...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50018681
PNG
(CHEMBL3291294)
Show SMILES CCCCCCC#Cc1nc(N)c2ncn(CCC)c2n1
Show InChI InChI=1S/C16H23N5/c1-3-5-6-7-8-9-10-13-19-15(17)14-16(20-13)21(11-4-2)12-18-14/h12H,3-8,11H2,1-2H3,(H2,17,19,20)
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n/an/a>1.00E+4n/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...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50018685
PNG
(CHEMBL3291298)
Show SMILES CCCCCCC#Cc1nc(N)c2ncn(CCO)c2n1
Show InChI InChI=1S/C15H21N5O/c1-2-3-4-5-6-7-8-12-18-14(16)13-15(19-12)20(9-10-21)11-17-13/h11,21H,2-6,9-10H2,1H3,(H2,16,18,19)
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n/an/a>1.00E+4n/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...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50079652
PNG
((E)-1-[(R)-2-(2-Hydroxy-ethyl)-piperidin-1-yl]-3-(...)
Show SMILES OCC[C@H]1CCCCN1C(=O)\C=C\c1c(nn2ccccc12)-c1ccccc1
Show InChI InChI=1S/C23H25N3O2/c27-17-14-19-10-4-6-15-25(19)22(28)13-12-20-21-11-5-7-16-26(21)24-23(20)18-8-2-1-3-9-18/h1-3,5,7-9,11-13,16,19,27H,4,6,10,14-15,17H2/b13-12+/t19-/m1/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Adenosine A2a receptor using [3H]-NECA in rat striatal membranes


Bioorg Med Chem Lett 9: 1979-84 (1999)

More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50079652
PNG
((E)-1-[(R)-2-(2-Hydroxy-ethyl)-piperidin-1-yl]-3-(...)
Show SMILES OCC[C@H]1CCCCN1C(=O)\C=C\c1c(nn2ccccc12)-c1ccccc1
Show InChI InChI=1S/C23H25N3O2/c27-17-14-19-10-4-6-15-25(19)22(28)13-12-20-21-11-5-7-16-26(21)24-23(20)18-8-2-1-3-9-18/h1-3,5,7-9,11-13,16,19,27H,4,6,10,14-15,17H2/b13-12+/t19-/m1/s1
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n/an/a 1.13E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatum membrane


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50009709
PNG
(4-Amino-5-butyl-1-(3-chloro-phenyl)-1,5-dihydro-py...)
Show SMILES CCCCn1c(N)c2cnn(-c3cccc(Cl)c3)c2nc1=O
Show InChI InChI=1S/C15H16ClN5O/c1-2-3-7-20-13(17)12-9-18-21(14(12)19-15(20)22)11-6-4-5-10(16)8-11/h4-6,8-9H,2-3,7,17H2,1H3
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n/an/a 1.92E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Adenosine A2a receptor binding site


Citation and Details
More data for this
Ligand-Target Pair
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