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PubMed code 21664729

Compile data set for download or QSAR
Found 142 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50393167
PNG
(CHEMBL2153721)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1C2CC3OC(=O)C1C3C2
Show InChI InChI=1S/C19H24N4O4/c1-3-5-22-16-14(17(24)23(6-4-2)19(22)26)20-15(21-16)12-9-7-10-11(8-9)27-18(25)13(10)12/h9-13H,3-8H2,1-2H3,(H,20,21)
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0.300n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in rat brain cortical membrane


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 receptor A1


(Rattus norvegicus (rat))
BDBM50004587
PNG
(8-Adamantan-1-yl-1,3-dipropyl-3,7-dihydro-purine-2...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C21H30N4O2/c1-3-5-24-17-16(18(26)25(6-4-2)20(24)27)22-19(23-17)21-10-13-7-14(11-21)9-15(8-13)12-21/h13-15H,3-12H2,1-2H3,(H,22,23)
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4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in rat brain cortical membrane


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))
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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5.15n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


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))
BDBM50084860
PNG
(3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...)
Show SMILES COc1cccc(\C=C\c2nc3n(CCCO)c(=O)n(CC#C)c(=O)c3n2C)c1
Show InChI InChI=1S/C21H22N4O4/c1-4-11-25-20(27)18-19(24(21(25)28)12-6-13-26)22-17(23(18)2)10-9-15-7-5-8-16(14-15)29-3/h1,5,7-10,14,26H,6,11-13H2,2-3H3/b10-9+
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8n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatal membrane


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 receptor A2a


(Homo sapiens (human))
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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90.8n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells


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 receptor A1


(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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230n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane


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))
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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240n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


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))
BDBM50393167
PNG
(CHEMBL2153721)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1C2CC3OC(=O)C1C3C2
Show InChI InChI=1S/C19H24N4O4/c1-3-5-22-16-14(17(24)23(6-4-2)19(22)26)20-15(21-16)12-9-7-10-11(8-9)27-18(25)13(10)12/h9-13H,3-8H2,1-2H3,(H,20,21)
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269n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]ZM241385 from adenosine A2A receptor in rat brain striatum membrane


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 receptor A2a


(Homo sapiens (human))
BDBM50393192
PNG
(CHEMBL2153629)
Show SMILES Cn1c2nc3N(CCn3c2c(=O)n(C)c1=O)C1CCCCCCC1
Show InChI InChI=1S/C17H25N5O2/c1-19-14-13(15(23)20(2)17(19)24)22-11-10-21(16(22)18-14)12-8-6-4-3-5-7-9-12/h12H,3-11H2,1-2H3
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306n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells


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))
BDBM50393192
PNG
(CHEMBL2153629)
Show SMILES Cn1c2nc3N(CCn3c2c(=O)n(C)c1=O)C1CCCCCCC1
Show InChI InChI=1S/C17H25N5O2/c1-19-14-13(15(23)20(2)17(19)24)22-11-10-21(16(22)18-14)12-8-6-4-3-5-7-9-12/h12H,3-11H2,1-2H3
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330n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


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 receptor A2a


(Homo sapiens (human))
BDBM50393172
PNG
(CHEMBL2153627)
Show SMILES Cn1c2nc3N(CC4CC4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C14H19N5O2/c1-16-11-10(12(20)17(2)14(16)21)19-7-3-6-18(13(19)15-11)8-9-4-5-9/h9H,3-8H2,1-2H3
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417n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells


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))
BDBM50393181
PNG
(CHEMBL2153614)
Show SMILES Cn1c2nc3N(CCC4=CCCCC4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C18H25N5O2/c1-20-15-14(16(24)21(2)18(20)25)23-11-6-10-22(17(23)19-15)12-9-13-7-4-3-5-8-13/h7H,3-6,8-12H2,1-2H3
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500n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


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))
BDBM50393189
PNG
(CHEMBL2153612)
Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCCCCCC1
Show InChI InChI=1S/C18H27N5O2/c1-20-15-14(16(24)21(2)18(20)25)23-12-8-11-22(17(23)19-15)13-9-6-4-3-5-7-10-13/h13H,3-12H2,1-2H3
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570n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


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 receptor A2a


(Homo sapiens (human))
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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610n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells


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))
BDBM50393177
PNG
(CHEMBL2153618)
Show SMILES Cn1c2nc3N(CC4CCCCC4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C17H25N5O2/c1-19-14-13(15(23)20(2)17(19)24)22-10-6-9-21(16(22)18-14)11-12-7-4-3-5-8-12/h12H,3-11H2,1-2H3
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610n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


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 receptor A2b


(Homo sapiens (Human))
BDBM50393192
PNG
(CHEMBL2153629)
Show SMILES Cn1c2nc3N(CCn3c2c(=O)n(C)c1=O)C1CCCCCCC1
Show InChI InChI=1S/C17H25N5O2/c1-19-14-13(15(23)20(2)17(19)24)22-11-10-21(16(22)18-14)12-8-6-4-3-5-7-9-12/h12H,3-11H2,1-2H3
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800n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells


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))
BDBM50393191
PNG
(CHEMBL2153624)
Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCCCC1
Show InChI InChI=1S/C16H23N5O2/c1-18-13-12(14(22)19(2)16(18)23)21-10-6-9-20(15(21)17-13)11-7-4-3-5-8-11/h11H,3-10H2,1-2H3
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810n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


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))
BDBM50393187
PNG
(CHEMBL2153607)
Show SMILES CC1CCC(CC1)N1CCCCn2c1nc1n(C)c(=O)n(C)c(=O)c21
Show InChI InChI=1S/C18H27N5O2/c1-12-6-8-13(9-7-12)22-10-4-5-11-23-14-15(19-17(22)23)20(2)18(25)21(3)16(14)24/h12-13H,4-11H2,1-3H3
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830n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


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 receptor A2a


(Homo sapiens (human))
BDBM50393193
PNG
(CHEMBL2153626)
Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCC1
Show InChI InChI=1S/C14H19N5O2/c1-16-11-10(12(20)17(2)14(16)21)19-8-4-7-18(13(19)15-11)9-5-3-6-9/h9H,3-8H2,1-2H3
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847n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells


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))
BDBM50393180
PNG
(CHEMBL2153615)
Show SMILES C[C@@H](C1CCCCC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21
Show InChI InChI=1S/C18H27N5O2/c1-12(13-8-5-4-6-9-13)22-10-7-11-23-14-15(19-17(22)23)20(2)18(25)21(3)16(14)24/h12-13H,4-11H2,1-3H3/t12-/m0/s1
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887n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


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 receptor A1


(Rattus norvegicus (rat))
BDBM50084860
PNG
(3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...)
Show SMILES COc1cccc(\C=C\c2nc3n(CCCO)c(=O)n(CC#C)c(=O)c3n2C)c1
Show InChI InChI=1S/C21H22N4O4/c1-4-11-25-20(27)18-19(24(21(25)28)12-6-13-26)22-17(23(18)2)10-9-15-7-5-8-16(14-15)29-3/h1,5,7-10,14,26H,6,11-13H2,2-3H3/b10-9+
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900n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from adenosine A1 receptor in rat brain cortical membrane


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 receptor A2a


(Homo sapiens (human))
BDBM50393181
PNG
(CHEMBL2153614)
Show SMILES Cn1c2nc3N(CCC4=CCCCC4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C18H25N5O2/c1-20-15-14(16(24)21(2)18(20)25)23-11-6-10-22(17(23)19-15)12-9-13-7-4-3-5-8-13/h7H,3-6,8-12H2,1-2H3
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933n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells


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))
BDBM50393172
PNG
(CHEMBL2153627)
Show SMILES Cn1c2nc3N(CC4CC4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C14H19N5O2/c1-16-11-10(12(20)17(2)14(16)21)19-7-3-6-18(13(19)15-11)8-9-4-5-9/h9H,3-8H2,1-2H3
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980n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


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))
BDBM50393173
PNG
(CHEMBL2153625)
Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C15H21N5O2/c1-17-12-11(13(21)18(2)15(17)22)20-9-5-8-19(14(20)16-12)10-6-3-4-7-10/h10H,3-9H2,1-2H3
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1.00E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


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))
BDBM50393176
PNG
(CHEMBL2153619)
Show SMILES CC1CCCCC1N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21
Show InChI InChI=1S/C17H25N5O2/c1-11-7-4-5-8-12(11)21-9-6-10-22-13-14(18-16(21)22)19(2)17(24)20(3)15(13)23/h11-12H,4-10H2,1-3H3
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1.08E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


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))
BDBM50004587
PNG
(8-Adamantan-1-yl-1,3-dipropyl-3,7-dihydro-purine-2...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C21H30N4O2/c1-3-5-24-17-16(18(26)25(6-4-2)20(24)27)22-19(23-17)21-10-13-7-14(11-21)9-15(8-13)12-21/h13-15H,3-12H2,1-2H3,(H,22,23)
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1.10E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatal membrane


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 receptor A2a


(Homo sapiens (human))
BDBM50393182
PNG
(CHEMBL2153613)
Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCCCCC1
Show InChI InChI=1S/C17H25N5O2/c1-19-14-13(15(23)20(2)17(19)24)22-11-7-10-21(16(22)18-14)12-8-5-3-4-6-9-12/h12H,3-11H2,1-2H3
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1.16E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells


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))
BDBM50393197
PNG
(CHEMBL2153604)
Show SMILES Cn1c2nc3N(CCC4=CCCCC4)CCCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C19H27N5O2/c1-21-16-15(17(25)22(2)19(21)26)24-12-7-6-11-23(18(24)20-16)13-10-14-8-4-3-5-9-14/h8H,3-7,9-13H2,1-2H3
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1.17E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


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))
BDBM50393178
PNG
(CHEMBL2153617)
Show SMILES CC(C1CCCCC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21
Show InChI InChI=1S/C18H27N5O2/c1-12(13-8-5-4-6-9-13)22-10-7-11-23-14-15(19-17(22)23)20(2)18(25)21(3)16(14)24/h12-13H,4-11H2,1-3H3
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1.24E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


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))
BDBM50393199
PNG
(CHEMBL2153628)
Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CC1
Show InChI InChI=1S/C13H17N5O2/c1-15-10-9(11(19)16(2)13(15)20)18-7-3-6-17(8-4-5-8)12(18)14-10/h8H,3-7H2,1-2H3
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1.24E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


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 receptor A3


(Homo sapiens (human))
BDBM50393183
PNG
(CHEMBL2153611)
Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C20H27N5O2/c1-22-16-15(17(26)23(2)19(22)27)24-4-3-5-25(18(24)21-16)20-9-12-6-13(10-20)8-14(7-12)11-20/h12-14H,3-11H2,1-2H3
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1.29E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells


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))
BDBM50393179
PNG
(CHEMBL2153616)
Show SMILES C[C@H](C1CCCCC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21
Show InChI InChI=1S/C18H27N5O2/c1-12(13-8-5-4-6-9-13)22-10-7-11-23-14-15(19-17(22)23)20(2)18(25)21(3)16(14)24/h12-13H,4-11H2,1-3H3/t12-/m1/s1
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1.30E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


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))
BDBM50393184
PNG
(CHEMBL2151065)
Show SMILES Cn1c2nc3N(CCCCn3c2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C16H23N5O2/c1-18-13-12(14(22)19(2)16(18)23)21-10-6-5-9-20(15(21)17-13)11-7-3-4-8-11/h11H,3-10H2,1-2H3
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1.38E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


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 receptor A2a


(Homo sapiens (human))
BDBM50393189
PNG
(CHEMBL2153612)
Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCCCCCC1
Show InChI InChI=1S/C18H27N5O2/c1-20-15-14(16(24)21(2)18(20)25)23-12-8-11-22(17(23)19-15)13-9-6-4-3-5-7-10-13/h13H,3-12H2,1-2H3
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1.53E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells


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 receptor A2b


(Homo sapiens (Human))
BDBM50393167
PNG
(CHEMBL2153721)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1C2CC3OC(=O)C1C3C2
Show InChI InChI=1S/C19H24N4O4/c1-3-5-22-16-14(17(24)23(6-4-2)19(22)26)20-15(21-16)12-9-7-10-11(8-9)27-18(25)13(10)12/h9-13H,3-8H2,1-2H3,(H,20,21)
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1.54E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]MRS-1754 from human recombinant adenosine A2B receptor expressed in HEK293 cells


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 receptor A2a


(Homo sapiens (human))
BDBM50393191
PNG
(CHEMBL2153624)
Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCCCC1
Show InChI InChI=1S/C16H23N5O2/c1-18-13-12(14(22)19(2)16(18)23)21-10-6-9-20(15(21)17-13)11-7-4-3-5-8-11/h11H,3-10H2,1-2H3
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1.61E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells


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 receptor A2a


(Homo sapiens (human))
BDBM50393169
PNG
(CHEMBL2153632)
Show SMILES Cn1c2nc3N(CCn3c2c(=O)n(C)c1=O)C1CCCCC1
Show InChI InChI=1S/C15H21N5O2/c1-17-12-11(13(21)18(2)15(17)22)20-9-8-19(14(20)16-12)10-6-4-3-5-7-10/h10H,3-9H2,1-2H3
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1.61E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells


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 receptor A1


(Rattus norvegicus (rat))
BDBM50393197
PNG
(CHEMBL2153604)
Show SMILES Cn1c2nc3N(CCC4=CCCCC4)CCCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C19H27N5O2/c1-21-16-15(17(25)22(2)19(21)26)24-12-7-6-11-23(18(24)20-16)13-10-14-8-4-3-5-9-14/h8H,3-7,9-13H2,1-2H3
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1.66E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane


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 receptor A3


(Homo sapiens (human))
BDBM50393190
PNG
(CHEMBL2153603)
Show SMILES Cn1c2nc3N(CCCCn3c2c(=O)n(C)c1=O)C1CCCCCCC1
Show InChI InChI=1S/C19H29N5O2/c1-21-16-15(17(25)22(2)19(21)26)24-13-9-8-12-23(18(24)20-16)14-10-6-4-3-5-7-11-14/h14H,3-13H2,1-2H3
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1.67E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells


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))
BDBM50393186
PNG
(CHEMBL2153608)
Show SMILES CC(=O)OC1CCC(CC1)N1CCCCn2c1nc1n(C)c(=O)n(C)c(=O)c21
Show InChI InChI=1S/C19H27N5O4/c1-12(25)28-14-8-6-13(7-9-14)23-10-4-5-11-24-15-16(20-18(23)24)21(2)19(27)22(3)17(15)26/h13-14H,4-11H2,1-3H3
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1.74E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


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))
BDBM50393193
PNG
(CHEMBL2153626)
Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCC1
Show InChI InChI=1S/C14H19N5O2/c1-16-11-10(12(20)17(2)14(16)21)19-8-4-7-18(13(19)15-11)9-5-3-6-9/h9H,3-8H2,1-2H3
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1.93E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


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))
BDBM50393198
PNG
(CHEMBL2153719)
Show SMILES Cn1c2nc3N(CC4CCCCC4)CCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C16H23N5O2/c1-18-13-12(14(22)19(2)16(18)23)21-9-8-20(15(21)17-13)10-11-6-4-3-5-7-11/h11H,3-10H2,1-2H3
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2.00E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


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))
BDBM50393170
PNG
(CHEMBL2153630)
Show SMILES Cn1c2nc3N(CCC4=CCCCC4)CCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C17H23N5O2/c1-19-14-13(15(23)20(2)17(19)24)22-11-10-21(16(22)18-14)9-8-12-6-4-3-5-7-12/h6H,3-5,7-11H2,1-2H3
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2.02E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


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))
BDBM50393174
PNG
(CHEMBL2153623)
Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCC(O)CC1
Show InChI InChI=1S/C16H23N5O3/c1-18-13-12(14(23)19(2)16(18)24)21-9-3-8-20(15(21)17-13)10-4-6-11(22)7-5-10/h10-11,22H,3-9H2,1-2H3
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2.04E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


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 receptor A1


(Homo sapiens (human))
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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2.07E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells


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 receptor A1


(Rattus norvegicus (rat))
BDBM50393185
PNG
(CHEMBL2153610)
Show SMILES Cn1c2nc3N(CCCCn3c2c(=O)n(C)c1=O)C1CCCCC1
Show InChI InChI=1S/C17H25N5O2/c1-19-14-13(15(23)20(2)17(19)24)22-11-7-6-10-21(16(22)18-14)12-8-4-3-5-9-12/h12H,3-11H2,1-2H3
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2.13E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane


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 receptor A1


(Rattus norvegicus (rat))
BDBM50393172
PNG
(CHEMBL2153627)
Show SMILES Cn1c2nc3N(CC4CC4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C14H19N5O2/c1-16-11-10(12(20)17(2)14(16)21)19-7-3-6-18(13(19)15-11)8-9-4-5-9/h9H,3-8H2,1-2H3
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2.39E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane


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 receptor A2a


(Homo sapiens (human))
BDBM50393190
PNG
(CHEMBL2153603)
Show SMILES Cn1c2nc3N(CCCCn3c2c(=O)n(C)c1=O)C1CCCCCCC1
Show InChI InChI=1S/C19H29N5O2/c1-21-16-15(17(25)22(2)19(21)26)24-13-9-8-12-23(18(24)20-16)14-10-6-4-3-5-7-11-14/h14H,3-13H2,1-2H3
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2.40E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells


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 receptor A1


(Rattus norvegicus (rat))
BDBM50393170
PNG
(CHEMBL2153630)
Show SMILES Cn1c2nc3N(CCC4=CCCCC4)CCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C17H23N5O2/c1-19-14-13(15(23)20(2)17(19)24)22-11-10-21(16(22)18-14)9-8-12-6-4-3-5-7-12/h6H,3-5,7-11H2,1-2H3
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2.45E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane


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 receptor A1


(Rattus norvegicus (rat))
BDBM50393177
PNG
(CHEMBL2153618)
Show SMILES Cn1c2nc3N(CC4CCCCC4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C17H25N5O2/c1-19-14-13(15(23)20(2)17(19)24)22-10-6-9-21(16(22)18-14)11-12-7-4-3-5-8-12/h12H,3-11H2,1-2H3
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2.49E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane


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))
BDBM50393169
PNG
(CHEMBL2153632)
Show SMILES Cn1c2nc3N(CCn3c2c(=O)n(C)c1=O)C1CCCCC1
Show InChI InChI=1S/C15H21N5O2/c1-17-12-11(13(21)18(2)15(17)22)20-9-8-19(14(20)16-12)10-6-4-3-5-7-10/h10H,3-9H2,1-2H3
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2.58E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


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))
BDBM50393182
PNG
(CHEMBL2153613)
Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCCCCC1
Show InChI InChI=1S/C17H25N5O2/c1-19-14-13(15(23)20(2)17(19)24)22-11-7-10-21(16(22)18-14)12-8-5-3-4-6-9-12/h12H,3-11H2,1-2H3
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2.67E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


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))
BDBM50393185
PNG
(CHEMBL2153610)
Show SMILES Cn1c2nc3N(CCCCn3c2c(=O)n(C)c1=O)C1CCCCC1
Show InChI InChI=1S/C17H25N5O2/c1-19-14-13(15(23)20(2)17(19)24)22-11-7-6-10-21(16(22)18-14)12-8-4-3-5-9-12/h12H,3-11H2,1-2H3
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2.96E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


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))
BDBM50393168
PNG
(CHEMBL2153720)
Show SMILES Cn1c2nc3N(CCn3c2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C14H19N5O2/c1-16-11-10(12(20)17(2)14(16)21)19-8-7-18(13(19)15-11)9-5-3-4-6-9/h9H,3-8H2,1-2H3
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3.10E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


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 receptor A2a


(Homo sapiens (human))
BDBM50393171
PNG
(CHEMBL2153631)
Show SMILES Cn1c2nc3N(CCn3c2c(=O)n(C)c1=O)C1CCC(O)CC1
Show InChI InChI=1S/C15H21N5O3/c1-17-12-11(13(22)18(2)15(17)23)20-8-7-19(14(20)16-12)9-3-5-10(21)6-4-9/h9-10,21H,3-8H2,1-2H3
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3.27E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells


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 receptor A1


(Rattus norvegicus (rat))
BDBM50393187
PNG
(CHEMBL2153607)
Show SMILES CC1CCC(CC1)N1CCCCn2c1nc1n(C)c(=O)n(C)c(=O)c21
Show InChI InChI=1S/C18H27N5O2/c1-12-6-8-13(9-7-12)22-10-4-5-11-23-14-15(19-17(22)23)20(2)18(25)21(3)16(14)24/h12-13H,4-11H2,1-3H3
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3.44E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane


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))
BDBM50393195
PNG
(CHEMBL2153606)
Show SMILES CC1CCCCC1N1CCCCn2c1nc1n(C)c(=O)n(C)c(=O)c21
Show InChI InChI=1S/C18H27N5O2/c1-12-8-4-5-9-13(12)22-10-6-7-11-23-14-15(19-17(22)23)20(2)18(25)21(3)16(14)24/h12-13H,4-11H2,1-3H3
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3.46E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


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))
BDBM50393196
PNG
(CHEMBL2153605)
Show SMILES Cn1c2nc3N(CC4CCCCC4)CCCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C18H27N5O2/c1-20-15-14(16(24)21(2)18(20)25)23-11-7-6-10-22(17(23)19-15)12-13-8-4-3-5-9-13/h13H,3-12H2,1-2H3
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3.50E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


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))
BDBM50393174
PNG
(CHEMBL2153623)
Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCC(O)CC1
Show InChI InChI=1S/C16H23N5O3/c1-18-13-12(14(23)19(2)16(18)24)21-9-3-8-20(15(21)17-13)10-4-6-11(22)7-5-10/h10-11,22H,3-9H2,1-2H3
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3.63E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


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))
BDBM50393194
PNG
(CHEMBL2153609)
Show SMILES Cn1c2nc3N(CCCCn3c2c(=O)n(C)c1=O)C1CCC(O)CC1
Show InChI InChI=1S/C17H25N5O3/c1-19-14-13(15(24)20(2)17(19)25)22-10-4-3-9-21(16(22)18-14)11-5-7-12(23)8-6-11/h11-12,23H,3-10H2,1-2H3
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3.81E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


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 receptor A3


(Homo sapiens (human))
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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4.47E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells


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))
BDBM50393171
PNG
(CHEMBL2153631)
Show SMILES Cn1c2nc3N(CCn3c2c(=O)n(C)c1=O)C1CCC(O)CC1
Show InChI InChI=1S/C15H21N5O3/c1-17-12-11(13(22)18(2)15(17)23)20-8-7-19(14(20)16-12)9-3-5-10(21)6-4-9/h9-10,21H,3-8H2,1-2H3
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4.48E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


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 receptor A1


(Rattus norvegicus (rat))
BDBM50393186
PNG
(CHEMBL2153608)
Show SMILES CC(=O)OC1CCC(CC1)N1CCCCn2c1nc1n(C)c(=O)n(C)c(=O)c21
Show InChI InChI=1S/C19H27N5O4/c1-12(25)28-14-8-6-13(7-9-14)23-10-4-5-11-24-15-16(20-18(23)24)21(2)19(27)22(3)17(15)26/h13-14H,4-11H2,1-3H3
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4.87E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane


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 receptor A1


(Rattus norvegicus (rat))
BDBM50393184
PNG
(CHEMBL2151065)
Show SMILES Cn1c2nc3N(CCCCn3c2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C16H23N5O2/c1-18-13-12(14(22)19(2)16(18)23)21-10-6-5-9-20(15(21)17-13)11-7-3-4-8-11/h11H,3-10H2,1-2H3
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5.06E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane


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 receptor A1


(Rattus norvegicus (rat))
BDBM50393196
PNG
(CHEMBL2153605)
Show SMILES Cn1c2nc3N(CC4CCCCC4)CCCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C18H27N5O2/c1-20-15-14(16(24)21(2)18(20)25)23-11-7-6-10-22(17(23)19-15)12-13-8-4-3-5-9-13/h13H,3-12H2,1-2H3
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5.18E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane


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 receptor A1


(Rattus norvegicus (rat))
BDBM50393173
PNG
(CHEMBL2153625)
Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C15H21N5O2/c1-17-12-11(13(21)18(2)15(17)22)20-9-5-8-19(14(20)16-12)10-6-3-4-7-10/h10H,3-9H2,1-2H3
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5.31E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane


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))
BDBM50393175
PNG
(CHEMBL2153622)
Show SMILES CC(=O)O[C@H]1CC[C@@H](CC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21
Show InChI InChI=1S/C18H25N5O4/c1-11(24)27-13-7-5-12(6-8-13)22-9-4-10-23-14-15(19-17(22)23)20(2)18(26)21(3)16(14)25/h12-13H,4-10H2,1-3H3/t12-,13-
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6.20E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


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))
BDBM50393190
PNG
(CHEMBL2153603)
Show SMILES Cn1c2nc3N(CCCCn3c2c(=O)n(C)c1=O)C1CCCCCCC1
Show InChI InChI=1S/C19H29N5O2/c1-21-16-15(17(25)22(2)19(21)26)24-13-9-8-12-23(18(24)20-16)14-10-6-4-3-5-7-11-14/h14H,3-13H2,1-2H3
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MMDB

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6.86E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


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 receptor A1


(Homo sapiens (human))
BDBM50393181
PNG
(CHEMBL2153614)
Show SMILES Cn1c2nc3N(CCC4=CCCCC4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C18H25N5O2/c1-20-15-14(16(24)21(2)18(20)25)23-11-6-10-22(17(23)19-15)12-9-13-7-4-3-5-8-13/h7H,3-6,8-12H2,1-2H3
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6.90E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells


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 receptor A1


(Homo sapiens (human))
BDBM50393172
PNG
(CHEMBL2153627)
Show SMILES Cn1c2nc3N(CC4CC4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C14H19N5O2/c1-16-11-10(12(20)17(2)14(16)21)19-7-3-6-18(13(19)15-11)8-9-4-5-9/h9H,3-8H2,1-2H3
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7.13E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells


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 receptor A1


(Rattus norvegicus (rat))
BDBM50393178
PNG
(CHEMBL2153617)
Show SMILES CC(C1CCCCC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21
Show InChI InChI=1S/C18H27N5O2/c1-12(13-8-5-4-6-9-13)22-10-7-11-23-14-15(19-17(22)23)20(2)18(25)21(3)16(14)24/h12-13H,4-11H2,1-3H3
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7.58E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane


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 receptor A1


(Rattus norvegicus (rat))
BDBM50393179
PNG
(CHEMBL2153616)
Show SMILES C[C@H](C1CCCCC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21
Show InChI InChI=1S/C18H27N5O2/c1-12(13-8-5-4-6-9-13)22-10-7-11-23-14-15(19-17(22)23)20(2)18(25)21(3)16(14)24/h12-13H,4-11H2,1-3H3/t12-/m1/s1
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7.89E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane


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 receptor A1


(Homo sapiens (human))
BDBM50393169
PNG
(CHEMBL2153632)
Show SMILES Cn1c2nc3N(CCn3c2c(=O)n(C)c1=O)C1CCCCC1
Show InChI InChI=1S/C15H21N5O2/c1-17-12-11(13(21)18(2)15(17)22)20-9-8-19(14(20)16-12)10-6-4-3-5-7-10/h10H,3-9H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells


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 receptor A1


(Homo sapiens (human))
BDBM50393174
PNG
(CHEMBL2153623)
Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCC(O)CC1
Show InChI InChI=1S/C16H23N5O3/c1-18-13-12(14(23)19(2)16(18)24)21-9-3-8-20(15(21)17-13)10-4-6-11(22)7-5-10/h10-11,22H,3-9H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells


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 receptor A1


(Homo sapiens (human))
BDBM50393186
PNG
(CHEMBL2153608)
Show SMILES CC(=O)OC1CCC(CC1)N1CCCCn2c1nc1n(C)c(=O)n(C)c(=O)c21
Show InChI InChI=1S/C19H27N5O4/c1-12(25)28-14-8-6-13(7-9-14)23-10-4-5-11-24-15-16(20-18(23)24)21(2)19(27)22(3)17(15)26/h13-14H,4-11H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells


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 receptor A2a and A3


(Rattus norvegicus)
BDBM50004587
PNG
(8-Adamantan-1-yl-1,3-dipropyl-3,7-dihydro-purine-2...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C21H30N4O2/c1-3-5-24-17-16(18(26)25(6-4-2)20(24)27)22-19(23-17)21-10-13-7-14(11-21)9-15(8-13)12-21/h13-15H,3-12H2,1-2H3,(H,22,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Binding affinity to rat adenosine A3 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 receptor A1


(Rattus norvegicus (rat))
BDBM50393175
PNG
(CHEMBL2153622)
Show SMILES CC(=O)O[C@H]1CC[C@@H](CC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21
Show InChI InChI=1S/C18H25N5O4/c1-11(24)27-13-7-5-12(6-8-13)22-9-4-10-23-14-15(19-17(22)23)20(2)18(26)21(3)16(14)25/h12-13H,4-10H2,1-3H3/t12-,13-
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>1.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane


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 receptor A2b


(Homo sapiens (Human))
BDBM50393190
PNG
(CHEMBL2153603)
Show SMILES Cn1c2nc3N(CCCCn3c2c(=O)n(C)c1=O)C1CCCCCCC1
Show InChI InChI=1S/C19H29N5O2/c1-21-16-15(17(25)22(2)19(21)26)24-13-9-8-12-23(18(24)20-16)14-10-6-4-3-5-7-11-14/h14H,3-13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells


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 receptor A2b


(Homo sapiens (Human))
BDBM50393174
PNG
(CHEMBL2153623)
Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCC(O)CC1
Show InChI InChI=1S/C16H23N5O3/c1-18-13-12(14(23)19(2)16(18)24)21-9-3-8-20(15(21)17-13)10-4-6-11(22)7-5-10/h10-11,22H,3-9H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells


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 receptor A2b


(Homo sapiens (Human))
BDBM50393171
PNG
(CHEMBL2153631)
Show SMILES Cn1c2nc3N(CCn3c2c(=O)n(C)c1=O)C1CCC(O)CC1
Show InChI InChI=1S/C15H21N5O3/c1-17-12-11(13(22)18(2)15(17)23)20-8-7-19(14(20)16-12)9-3-5-10(21)6-4-9/h9-10,21H,3-8H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2B receptor expressed in CHO cells


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 receptor A1


(Homo sapiens (human))
BDBM50393192
PNG
(CHEMBL2153629)
Show SMILES Cn1c2nc3N(CCn3c2c(=O)n(C)c1=O)C1CCCCCCC1
Show InChI InChI=1S/C17H25N5O2/c1-19-14-13(15(23)20(2)17(19)24)22-11-10-21(16(22)18-14)12-8-6-4-3-5-7-9-12/h12H,3-11H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells


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 receptor A2a


(Homo sapiens (human))
BDBM50393186
PNG
(CHEMBL2153608)
Show SMILES CC(=O)OC1CCC(CC1)N1CCCCn2c1nc1n(C)c(=O)n(C)c(=O)c21
Show InChI InChI=1S/C19H27N5O4/c1-12(25)28-14-8-6-13(7-9-14)23-10-4-5-11-24-15-16(20-18(23)24)21(2)19(27)22(3)17(15)26/h13-14H,4-11H2,1-3H3
PDB
MMDB

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>1.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells


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 receptor A3


(Homo sapiens (human))
BDBM50393169
PNG
(CHEMBL2153632)
Show SMILES Cn1c2nc3N(CCn3c2c(=O)n(C)c1=O)C1CCCCC1
Show InChI InChI=1S/C15H21N5O2/c1-17-12-11(13(21)18(2)15(17)22)20-9-8-19(14(20)16-12)10-6-4-3-5-7-10/h10H,3-9H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells


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 receptor A1


(Rattus norvegicus (rat))
BDBM50393183
PNG
(CHEMBL2153611)
Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C20H27N5O2/c1-22-16-15(17(26)23(2)19(22)27)24-4-3-5-25(18(24)21-16)20-9-12-6-13(10-20)8-14(7-12)11-20/h12-14H,3-11H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane


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 receptor A3


(Homo sapiens (human))
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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>1.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells


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 receptor A2b


(Homo sapiens (Human))
BDBM50393181
PNG
(CHEMBL2153614)
Show SMILES Cn1c2nc3N(CCC4=CCCCC4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C18H25N5O2/c1-20-15-14(16(24)21(2)18(20)25)23-11-6-10-22(17(23)19-15)12-9-13-7-4-3-5-8-13/h7H,3-6,8-12H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells


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 receptor A2b


(Homo sapiens (Human))
BDBM50393169
PNG
(CHEMBL2153632)
Show SMILES Cn1c2nc3N(CCn3c2c(=O)n(C)c1=O)C1CCCCC1
Show InChI InChI=1S/C15H21N5O2/c1-17-12-11(13(21)18(2)15(17)22)20-9-8-19(14(20)16-12)10-6-4-3-5-7-10/h10H,3-9H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells


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 receptor A1


(Homo sapiens (human))
BDBM50393182
PNG
(CHEMBL2153613)
Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCCCCC1
Show InChI InChI=1S/C17H25N5O2/c1-19-14-13(15(23)20(2)17(19)24)22-11-7-10-21(16(22)18-14)12-8-5-3-4-6-9-12/h12H,3-11H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells


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 receptor A3


(Homo sapiens (human))
BDBM50393193
PNG
(CHEMBL2153626)
Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCC1
Show InChI InChI=1S/C14H19N5O2/c1-16-11-10(12(20)17(2)14(16)21)19-8-4-7-18(13(19)15-11)9-5-3-6-9/h9H,3-8H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells


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 receptor A3


(Homo sapiens (human))
BDBM50393175
PNG
(CHEMBL2153622)
Show SMILES CC(=O)O[C@H]1CC[C@@H](CC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21
Show InChI InChI=1S/C18H25N5O4/c1-11(24)27-13-7-5-12(6-8-13)22-9-4-10-23-14-15(19-17(22)23)20(2)18(26)21(3)16(14)25/h12-13H,4-10H2,1-3H3/t12-,13-
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>1.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells


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 receptor A3


(Homo sapiens (human))
BDBM50393186
PNG
(CHEMBL2153608)
Show SMILES CC(=O)OC1CCC(CC1)N1CCCCn2c1nc1n(C)c(=O)n(C)c(=O)c21
Show InChI InChI=1S/C19H27N5O4/c1-12(25)28-14-8-6-13(7-9-14)23-10-4-5-11-24-15-16(20-18(23)24)21(2)19(27)22(3)17(15)26/h13-14H,4-11H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells


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 receptor A2b


(Homo sapiens (Human))
BDBM50393189
PNG
(CHEMBL2153612)
Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCCCCCC1
Show InChI InChI=1S/C18H27N5O2/c1-20-15-14(16(24)21(2)18(20)25)23-12-8-11-22(17(23)19-15)13-9-6-4-3-5-7-10-13/h13H,3-12H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2B receptor expressed in CHO cells


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 receptor A2b


(Homo sapiens (Human))
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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>1.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2B receptor expressed in CHO cells


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 receptor A1


(Homo sapiens (human))
BDBM50393175
PNG
(CHEMBL2153622)
Show SMILES CC(=O)O[C@H]1CC[C@@H](CC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21
Show InChI InChI=1S/C18H25N5O4/c1-11(24)27-13-7-5-12(6-8-13)22-9-4-10-23-14-15(19-17(22)23)20(2)18(26)21(3)16(14)25/h12-13H,4-10H2,1-3H3/t12-,13-
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>1.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells


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 receptor A1


(Homo sapiens (human))
BDBM50393183
PNG
(CHEMBL2153611)
Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C20H27N5O2/c1-22-16-15(17(26)23(2)19(22)27)24-4-3-5-25(18(24)21-16)20-9-12-6-13(10-20)8-14(7-12)11-20/h12-14H,3-11H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells


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 receptor A3


(Homo sapiens (human))
BDBM50393192
PNG
(CHEMBL2153629)
Show SMILES Cn1c2nc3N(CCn3c2c(=O)n(C)c1=O)C1CCCCCCC1
Show InChI InChI=1S/C17H25N5O2/c1-19-14-13(15(23)20(2)17(19)24)22-11-10-21(16(22)18-14)12-8-6-4-3-5-7-9-12/h12H,3-11H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells


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 receptor A3


(Homo sapiens (human))
BDBM50393174
PNG
(CHEMBL2153623)
Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCC(O)CC1
Show InChI InChI=1S/C16H23N5O3/c1-18-13-12(14(23)19(2)16(18)24)21-9-3-8-20(15(21)17-13)10-4-6-11(22)7-5-10/h10-11,22H,3-9H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells


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 receptor A3


(Homo sapiens (human))
BDBM50393189
PNG
(CHEMBL2153612)
Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCCCCCC1
Show InChI InChI=1S/C18H27N5O2/c1-20-15-14(16(24)21(2)18(20)25)23-12-8-11-22(17(23)19-15)13-9-6-4-3-5-7-10-13/h13H,3-12H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells


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 receptor A2b


(Homo sapiens (Human))
BDBM50393191
PNG
(CHEMBL2153624)
Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCCCC1
Show InChI InChI=1S/C16H23N5O2/c1-18-13-12(14(22)19(2)16(18)23)21-10-6-9-20(15(21)17-13)11-7-4-3-5-8-11/h11H,3-10H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells


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 receptor A2b


(Homo sapiens (Human))
BDBM50393183
PNG
(CHEMBL2153611)
Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C20H27N5O2/c1-22-16-15(17(26)23(2)19(22)27)24-4-3-5-25(18(24)21-16)20-9-12-6-13(10-20)8-14(7-12)11-20/h12-14H,3-11H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells


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 receptor A1


(Homo sapiens (human))
BDBM50393171
PNG
(CHEMBL2153631)
Show SMILES Cn1c2nc3N(CCn3c2c(=O)n(C)c1=O)C1CCC(O)CC1
Show InChI InChI=1S/C15H21N5O3/c1-17-12-11(13(22)18(2)15(17)23)20-8-7-19(14(20)16-12)9-3-5-10(21)6-4-9/h9-10,21H,3-8H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells


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 receptor A1


(Homo sapiens (human))
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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>1.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells


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 receptor A1


(Homo sapiens (human))
BDBM50393190
PNG
(CHEMBL2153603)
Show SMILES Cn1c2nc3N(CCCCn3c2c(=O)n(C)c1=O)C1CCCCCCC1
Show InChI InChI=1S/C19H29N5O2/c1-21-16-15(17(25)22(2)19(21)26)24-13-9-8-12-23(18(24)20-16)14-10-6-4-3-5-7-11-14/h14H,3-13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells


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 receptor A3


(Homo sapiens (human))
BDBM50393171
PNG
(CHEMBL2153631)
Show SMILES Cn1c2nc3N(CCn3c2c(=O)n(C)c1=O)C1CCC(O)CC1
Show InChI InChI=1S/C15H21N5O3/c1-17-12-11(13(22)18(2)15(17)23)20-8-7-19(14(20)16-12)9-3-5-10(21)6-4-9/h9-10,21H,3-8H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells


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 receptor A3


(Homo sapiens (human))
BDBM50393191
PNG
(CHEMBL2153624)
Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCCCC1
Show InChI InChI=1S/C16H23N5O2/c1-18-13-12(14(22)19(2)16(18)23)21-10-6-9-20(15(21)17-13)11-7-4-3-5-8-11/h11H,3-10H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells


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 receptor A3


(Homo sapiens (human))
BDBM50393181
PNG
(CHEMBL2153614)
Show SMILES Cn1c2nc3N(CCC4=CCCCC4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C18H25N5O2/c1-20-15-14(16(24)21(2)18(20)25)23-11-6-10-22(17(23)19-15)12-9-13-7-4-3-5-8-13/h7H,3-6,8-12H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells


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 receptor A3


(Homo sapiens (human))
BDBM50393182
PNG
(CHEMBL2153613)
Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCCCCC1
Show InChI InChI=1S/C17H25N5O2/c1-19-14-13(15(23)20(2)17(19)24)22-11-7-10-21(16(22)18-14)12-8-5-3-4-6-9-12/h12H,3-11H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells


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 receptor A1


(Homo sapiens (human))
BDBM50393189
PNG
(CHEMBL2153612)
Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCCCCCC1
Show InChI InChI=1S/C18H27N5O2/c1-20-15-14(16(24)21(2)18(20)25)23-12-8-11-22(17(23)19-15)13-9-6-4-3-5-7-10-13/h13H,3-12H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells


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 receptor A2a


(Homo sapiens (human))
BDBM50393183
PNG
(CHEMBL2153611)
Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C20H27N5O2/c1-22-16-15(17(26)23(2)19(22)27)24-4-3-5-25(18(24)21-16)20-9-12-6-13(10-20)8-14(7-12)11-20/h12-14H,3-11H2,1-2H3
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MMDB

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>1.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells


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))
BDBM50393183
PNG
(CHEMBL2153611)
Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C20H27N5O2/c1-22-16-15(17(26)23(2)19(22)27)24-4-3-5-25(18(24)21-16)20-9-12-6-13(10-20)8-14(7-12)11-20/h12-14H,3-11H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


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 receptor A3


(Homo sapiens (human))
BDBM50393167
PNG
(CHEMBL2153721)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1C2CC3OC(=O)C1C3C2
Show InChI InChI=1S/C19H24N4O4/c1-3-5-22-16-14(17(24)23(6-4-2)19(22)26)20-15(21-16)12-9-7-10-11(8-9)27-18(25)13(10)12/h9-13H,3-8H2,1-2H3,(H,20,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in HEK293 cells


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 receptor A1


(Rattus norvegicus (rat))
BDBM50393169
PNG
(CHEMBL2153632)
Show SMILES Cn1c2nc3N(CCn3c2c(=O)n(C)c1=O)C1CCCCC1
Show InChI InChI=1S/C15H21N5O2/c1-17-12-11(13(21)18(2)15(17)22)20-9-8-19(14(20)16-12)10-6-4-3-5-7-10/h10H,3-9H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane


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 receptor A1


(Rattus norvegicus (rat))
BDBM50393182
PNG
(CHEMBL2153613)
Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCCCCC1
Show InChI InChI=1S/C17H25N5O2/c1-19-14-13(15(23)20(2)17(19)24)22-11-7-10-21(16(22)18-14)12-8-5-3-4-6-9-12/h12H,3-11H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane


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 receptor A2b


(Homo sapiens (Human))
BDBM50393175
PNG
(CHEMBL2153622)
Show SMILES CC(=O)O[C@H]1CC[C@@H](CC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21
Show InChI InChI=1S/C18H25N5O4/c1-11(24)27-13-7-5-12(6-8-13)22-9-4-10-23-14-15(19-17(22)23)20(2)18(26)21(3)16(14)25/h12-13H,4-10H2,1-3H3/t12-,13-
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>1.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells


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 receptor A2b


(Homo sapiens (Human))
BDBM50393193
PNG
(CHEMBL2153626)
Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCC1
Show InChI InChI=1S/C14H19N5O2/c1-16-11-10(12(20)17(2)14(16)21)19-8-4-7-18(13(19)15-11)9-5-3-6-9/h9H,3-8H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells


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 receptor A1


(Homo sapiens (human))
BDBM50393191
PNG
(CHEMBL2153624)
Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCCCC1
Show InChI InChI=1S/C16H23N5O2/c1-18-13-12(14(22)19(2)16(18)23)21-10-6-9-20(15(21)17-13)11-7-4-3-5-8-11/h11H,3-10H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells


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 receptor A3


(Homo sapiens (human))
BDBM50393172
PNG
(CHEMBL2153627)
Show SMILES Cn1c2nc3N(CC4CC4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C14H19N5O2/c1-16-11-10(12(20)17(2)14(16)21)19-7-3-6-18(13(19)15-11)8-9-4-5-9/h9H,3-8H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells


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 receptor A1


(Rattus norvegicus (rat))
BDBM50393190
PNG
(CHEMBL2153603)
Show SMILES Cn1c2nc3N(CCCCn3c2c(=O)n(C)c1=O)C1CCCCCCC1
Show InChI InChI=1S/C19H29N5O2/c1-21-16-15(17(25)22(2)19(21)26)24-13-9-8-12-23(18(24)20-16)14-10-6-4-3-5-7-11-14/h14H,3-13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane


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 receptor A1


(Rattus norvegicus (rat))
BDBM50393174
PNG
(CHEMBL2153623)
Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCC(O)CC1
Show InChI InChI=1S/C16H23N5O3/c1-18-13-12(14(23)19(2)16(18)24)21-9-3-8-20(15(21)17-13)10-4-6-11(22)7-5-10/h10-11,22H,3-9H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane


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 receptor A2b


(Homo sapiens (Human))
BDBM50393186
PNG
(CHEMBL2153608)
Show SMILES CC(=O)OC1CCC(CC1)N1CCCCn2c1nc1n(C)c(=O)n(C)c(=O)c21
Show InChI InChI=1S/C19H27N5O4/c1-12(25)28-14-8-6-13(7-9-14)23-10-4-5-11-24-15-16(20-18(23)24)21(2)19(27)22(3)17(15)26/h13-14H,4-11H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2B receptor expressed in CHO cells


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 receptor A2b


(Homo sapiens (Human))
BDBM50393182
PNG
(CHEMBL2153613)
Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCCCCC1
Show InChI InChI=1S/C17H25N5O2/c1-19-14-13(15(23)20(2)17(19)24)22-11-7-10-21(16(22)18-14)12-8-5-3-4-6-9-12/h12H,3-11H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells


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 receptor A1


(Homo sapiens (human))
BDBM50393193
PNG
(CHEMBL2153626)
Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCC1
Show InChI InChI=1S/C14H19N5O2/c1-16-11-10(12(20)17(2)14(16)21)19-8-4-7-18(13(19)15-11)9-5-3-6-9/h9H,3-8H2,1-2H3
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1.03E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells


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 receptor A1


(Rattus norvegicus (rat))
BDBM50393180
PNG
(CHEMBL2153615)
Show SMILES C[C@@H](C1CCCCC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21
Show InChI InChI=1S/C18H27N5O2/c1-12(13-8-5-4-6-9-13)22-10-7-11-23-14-15(19-17(22)23)20(2)18(25)21(3)16(14)24/h12-13H,4-11H2,1-3H3/t12-/m0/s1
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1.19E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane


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 receptor A2b


(Homo sapiens (Human))
BDBM50393172
PNG
(CHEMBL2153627)
Show SMILES Cn1c2nc3N(CC4CC4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C14H19N5O2/c1-16-11-10(12(20)17(2)14(16)21)19-7-3-6-18(13(19)15-11)8-9-4-5-9/h9H,3-8H2,1-2H3
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1.25E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2B receptor expressed in CHO cells


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 receptor A1


(Rattus norvegicus (rat))
BDBM50393181
PNG
(CHEMBL2153614)
Show SMILES Cn1c2nc3N(CCC4=CCCCC4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C18H25N5O2/c1-20-15-14(16(24)21(2)18(20)25)23-11-6-10-22(17(23)19-15)12-9-13-7-4-3-5-8-13/h7H,3-6,8-12H2,1-2H3
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1.47E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane


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 receptor A1


(Rattus norvegicus (rat))
BDBM10849
PNG
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
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1.88E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane


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 receptor A2a


(Homo sapiens (human))
BDBM50393174
PNG
(CHEMBL2153623)
Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCC(O)CC1
Show InChI InChI=1S/C16H23N5O3/c1-18-13-12(14(23)19(2)16(18)24)21-9-3-8-20(15(21)17-13)10-4-6-11(22)7-5-10/h10-11,22H,3-9H2,1-2H3
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1.90E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells


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 receptor A2b


(Homo sapiens (Human))
BDBM10849
PNG
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
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2.05E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2B receptor expressed in CHO cells


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 receptor A2a


(Homo sapiens (human))
BDBM50393175
PNG
(CHEMBL2153622)
Show SMILES CC(=O)O[C@H]1CC[C@@H](CC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21
Show InChI InChI=1S/C18H25N5O4/c1-11(24)27-13-7-5-12(6-8-13)22-9-4-10-23-14-15(19-17(22)23)20(2)18(26)21(3)16(14)25/h12-13H,4-10H2,1-3H3/t12-,13-
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2.19E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells


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 receptor A2a


(Homo sapiens (human))
BDBM10849
PNG
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
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2.34E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells


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 A1


(Rattus norvegicus (rat))
BDBM50393171
PNG
(CHEMBL2153631)
Show SMILES Cn1c2nc3N(CCn3c2c(=O)n(C)c1=O)C1CCC(O)CC1
Show InChI InChI=1S/C15H21N5O3/c1-17-12-11(13(22)18(2)15(17)23)20-8-7-19(14(20)16-12)9-3-5-10(21)6-4-9/h9-10,21H,3-8H2,1-2H3
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>2.50E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane


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 receptor A1


(Rattus norvegicus (rat))
BDBM50393176
PNG
(CHEMBL2153619)
Show SMILES CC1CCCCC1N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21
Show InChI InChI=1S/C17H25N5O2/c1-11-7-4-5-8-12(11)21-9-6-10-22-13-14(18-16(21)22)19(2)17(24)20(3)15(13)23/h11-12H,4-10H2,1-3H3
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>2.50E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane


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 receptor A1


(Rattus norvegicus (rat))
BDBM50393195
PNG
(CHEMBL2153606)
Show SMILES CC1CCCCC1N1CCCCn2c1nc1n(C)c(=O)n(C)c(=O)c21
Show InChI InChI=1S/C18H27N5O2/c1-12-8-4-5-9-13(12)22-10-6-7-11-23-14-15(19-17(22)23)20(2)18(25)21(3)16(14)24/h12-13H,4-11H2,1-3H3
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>2.50E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane


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 receptor A1


(Rattus norvegicus (rat))
BDBM50393168
PNG
(CHEMBL2153720)
Show SMILES Cn1c2nc3N(CCn3c2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C14H19N5O2/c1-16-11-10(12(20)17(2)14(16)21)19-8-7-18(13(19)15-11)9-5-3-4-6-9/h9H,3-8H2,1-2H3
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2.50E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane


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 receptor A1


(Rattus norvegicus (rat))
BDBM50393174
PNG
(CHEMBL2153623)
Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCC(O)CC1
Show InChI InChI=1S/C16H23N5O3/c1-18-13-12(14(23)19(2)16(18)24)21-9-3-8-20(15(21)17-13)10-4-6-11(22)7-5-10/h10-11,22H,3-9H2,1-2H3
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>2.50E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane


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))
BDBM10849
PNG
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
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3.28E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


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 A1


(Homo sapiens (human))
BDBM10849
PNG
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
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4.49E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells


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 receptor A3


(Homo sapiens (human))
BDBM10849
PNG
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells


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))
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 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


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))
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


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))
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


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)
* indicates data uncertainty>20%