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Compile Data Set for Download or QSAR

Found 258 hits with Last Name = 'schiedel' and Initial = 'ac'   
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 |TLB:22:24:26:19.20,21:20:24.17:26,THB:6:17:26:19.20|
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 |TLB:24:19:26:25.23.22,24:23:26:18.19.20,20:21:25:18.19.24,THB:20:19:25:26.21.22|
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 A2


(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 |(38.63,-4.22,;37.75,-2.96,;36.21,-3.1,;35.33,-1.85,;35.97,-.45,;37.5,-.3,;38.39,-1.56,;35.09,.81,;35.73,2.22,;34.83,3.48,;33.29,3.33,;32.65,1.92,;33.55,.66,;32.65,-.58,;31.19,-.1,;29.86,-.86,;29.86,-2.4,;28.53,-.1,;27.2,-.87,;28.53,1.44,;27.2,2.2,;29.86,2.21,;29.86,3.75,;31.19,1.44,)|
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 |TLB:22:24:26:19.20,21:20:24.17:26,THB:6:17:26:19.20|
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 A2


(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 A2


(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 |t:8|
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 A2


(Homo sapiens (Human))
BDBM50393188
PNG
(CHEMBL2153620)
Show SMILES CC1CCC(CC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |(38.63,-4.22,;37.75,-2.96,;36.21,-3.1,;35.33,-1.85,;35.97,-.45,;37.5,-.3,;38.39,-1.56,;35.09,.81,;35.73,2.22,;34.83,3.48,;33.29,3.33,;32.65,1.92,;33.55,.66,;32.65,-.58,;31.19,-.1,;29.86,-.86,;29.86,-2.4,;28.53,-.1,;27.2,-.87,;28.53,1.44,;27.2,2.2,;29.86,2.21,;29.86,3.75,;31.19,1.44,)|
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 |(18.08,-19.63,;17.5,-18.21,;15.98,-18,;15.39,-16.59,;16.33,-15.37,;17.86,-15.56,;18.44,-16.99,;15.75,-13.95,;16.79,-12.78,;16.52,-11.25,;15.16,-10.49,;13.73,-11.09,;13.3,-12.59,;14.19,-13.86,;13.29,-15.1,;11.82,-14.62,;10.5,-15.38,;10.5,-16.92,;9.17,-14.62,;7.84,-15.39,;9.17,-13.08,;7.83,-12.32,;10.5,-12.31,;10.5,-10.77,;11.82,-13.08,)|
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 A2


(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 |r|
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 A2


(Homo sapiens (Human))
BDBM50393181
PNG
(CHEMBL2153614)
Show SMILES Cn1c2nc3N(CCC4=CCCCC4)CCCn3c2c(=O)n(C)c1=O |t:8|
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 |TLB:24:19:26:25.23.22,24:23:26:18.19.20,20:21:25:18.19.24,THB:20:19:25:26.21.22|
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 A2


(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 |t:8|
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))
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 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 receptor A3


(Homo sapiens (Human))
BDBM50393183
PNG
(CHEMBL2153611)
Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C12CC3CC(CC(C3)C1)C2 |TLB:5:17:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
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 |r|
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 A2


(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 |TLB:22:24:26:19.20,21:20:24.17:26,THB:6:17:26:19.20|
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 A2


(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 A2


(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 |t:8|
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 |(3.24,-21.68,;2.66,-20.26,;3.6,-19.04,;1.14,-20.05,;.55,-18.63,;-.97,-18.42,;-1.55,-17,;-.61,-15.78,;.91,-15.98,;1.49,-17.41,;-1.21,-14.36,;-.17,-13.2,;-.43,-11.66,;-1.79,-10.9,;-3.23,-11.5,;-3.66,-13,;-2.77,-14.27,;-3.67,-15.51,;-5.13,-15.04,;-6.46,-15.8,;-6.46,-17.33,;-7.79,-15.03,;-9.12,-15.81,;-7.79,-13.5,;-9.12,-12.73,;-6.46,-12.72,;-6.46,-11.18,;-5.13,-13.5,)|
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 |t:8|
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 |(29.41,-38.04,;29.41,-36.5,;30.74,-35.74,;32.21,-36.22,;33.11,-34.98,;34.64,-34.83,;35.28,-33.42,;34.38,-32.16,;32.84,-32.31,;32.21,-33.72,;30.74,-34.2,;29.41,-33.42,;29.41,-31.89,;28.09,-34.2,;26.75,-33.44,;28.09,-35.74,;26.75,-36.51,;35.53,-36.08,;34.89,-37.48,;35.77,-38.73,;37.3,-38.59,;38.19,-39.85,;37.95,-37.19,;37.06,-35.93,)|
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 A2


(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 |t:8|
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
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