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PubMed code 17827019

Compile data set for download or QSAR
Found 86 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 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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 5.01n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50221683
PNG
(9-(4-hydroxyphenethyl)-1,3-dimethyl-6,7,8,9-tetrah...)
Show SMILES Cn1c2nc3N(CCc4ccc(O)cc4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C18H21N5O3/c1-20-15-14(16(25)21(2)18(20)26)23-10-3-9-22(17(23)19-15)11-8-12-4-6-13(24)7-5-12/h4-7,24H,3,8-11H2,1-2H3
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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]MSX2 from adenosine A2A receptor in rat brain striatal membrane

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50221697
PNG
(1,3-dimethyl-9-phenethyl-6,7,8,9-tetrahydropyrimid...)
Show SMILES Cn1c2nc3N(CCc4ccccc4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C18H21N5O2/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/h3-5,7-8H,6,9-12H2,1-2H3
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 320n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50221691
PNG
(9-(2-(1H-indol-3-yl)ethyl)-1,3-dimethyl-6,7,8,9-te...)
Show SMILES Cn1c2nc3N(CCc4c[nH]c5ccccc45)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C20H22N6O2/c1-23-17-16(18(27)24(2)20(23)28)26-10-5-9-25(19(26)22-17)11-8-13-12-21-15-7-4-3-6-14(13)15/h3-4,6-7,12,21H,5,8-11H2,1-2H3
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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]MSX2 from adenosine A2A receptor in rat brain striatal membrane

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50221703
PNG
(9-(4-methoxyphenethyl)-1,3-dimethyl-6,7,8,9-tetrah...)
Show SMILES COc1ccc(CCN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1
Show InChI InChI=1S/C19H23N5O3/c1-21-16-15(17(25)22(2)19(21)26)24-11-4-10-23(18(24)20-16)12-9-13-5-7-14(27-3)8-6-13/h5-8H,4,9-12H2,1-3H3
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 370n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50221681
PNG
(9-(4-chlorophenethyl)-1,3-dimethyl-6,7,8,9-tetrahy...)
Show SMILES Cn1c2nc3N(CCc4ccc(Cl)cc4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C18H20ClN5O2/c1-21-15-14(16(25)22(2)18(21)26)24-10-3-9-23(17(24)20-15)11-8-12-4-6-13(19)7-5-12/h4-7H,3,8-11H2,1-2H3
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 480n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50221694
PNG
(9-phenethyl-1,3-dipropyl-6,7,8,9-tetrahydropyrimid...)
Show SMILES CCCn1c2nc3N(CCc4ccccc4)CCCn3c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C22H29N5O2/c1-3-12-26-19-18(20(28)27(13-4-2)22(26)29)25-15-8-14-24(21(25)23-19)16-11-17-9-6-5-7-10-17/h5-7,9-10H,3-4,8,11-16H2,1-2H3
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 590n/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

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50221694
PNG
(9-phenethyl-1,3-dipropyl-6,7,8,9-tetrahydropyrimid...)
Show SMILES CCCn1c2nc3N(CCc4ccccc4)CCCn3c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C22H29N5O2/c1-3-12-26-19-18(20(28)27(13-4-2)22(26)29)25-15-8-14-24(21(25)23-19)16-11-17-9-6-5-7-10-17/h5-7,9-10H,3-4,8,11-16H2,1-2H3
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 620n/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

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50221683
PNG
(9-(4-hydroxyphenethyl)-1,3-dimethyl-6,7,8,9-tetrah...)
Show SMILES Cn1c2nc3N(CCc4ccc(O)cc4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C18H21N5O3/c1-20-15-14(16(25)21(2)18(20)26)23-10-3-9-22(17(23)19-15)11-8-12-4-6-13(24)7-5-12/h4-7,24H,3,8-11H2,1-2H3
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 630n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX2 from human adenosine A2A receptor expressed in CHO cells

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50221701
PNG
(9-(3,4-dimethoxyphenethyl)-1,3-dipropyl-6,7,8,9-te...)
Show SMILES CCCn1c2nc3N(CCc4ccc(OC)c(OC)c4)CCCn3c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C24H33N5O4/c1-5-11-28-21-20(22(30)29(12-6-2)24(28)31)27-14-7-13-26(23(27)25-21)15-10-17-8-9-18(32-3)19(16-17)33-4/h8-9,16H,5-7,10-15H2,1-4H3
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 820n/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

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50221694
PNG
(9-phenethyl-1,3-dipropyl-6,7,8,9-tetrahydropyrimid...)
Show SMILES CCCn1c2nc3N(CCc4ccccc4)CCCn3c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C22H29N5O2/c1-3-12-26-19-18(20(28)27(13-4-2)22(26)29)25-15-8-14-24(21(25)23-19)16-11-17-9-6-5-7-10-17/h5-7,9-10H,3-4,8,11-16H2,1-2H3
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 860n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50221680
PNG
(9-(2-(1H-indol-3-yl)ethyl)-1,3-dipropyl-6,7,8,9-te...)
Show SMILES CCCn1c2nc3N(CCc4c[nH]c5ccccc45)CCCn3c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C24H30N6O2/c1-3-11-29-21-20(22(31)30(12-4-2)24(29)32)28-14-7-13-27(23(28)26-21)15-10-17-16-25-19-9-6-5-8-18(17)19/h5-6,8-9,16,25H,3-4,7,10-15H2,1-2H3
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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]MSX2 from adenosine A2A receptor in rat brain striatal membrane

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50221693
PNG
(1,3-dimethyl-9-(2-(p-tolyloxy)ethyl)-6,7,8,9-tetra...)
Show SMILES Cc1ccc(OCCN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1
Show InChI InChI=1S/C19H23N5O3/c1-13-5-7-14(8-6-13)27-12-11-23-9-4-10-24-15-16(20-18(23)24)21(2)19(26)22(3)17(15)25/h5-8H,4,9-12H2,1-3H3
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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]PSB11 from human adenosine A3 receptor expressed in CHO cells

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50221690
PNG
((E)-9-(2-(cinnamyloxy)ethyl)-1,3-dimethyl-6,7,8,9-...)
Show SMILES Cn1c2nc3N(CCOC\C=C\c4ccccc4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C21H25N5O3/c1-23-18-17(19(27)24(2)21(23)28)26-12-7-11-25(20(26)22-18)13-15-29-14-6-10-16-8-4-3-5-9-16/h3-6,8-10H,7,11-15H2,1-2H3/b10-6+
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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]PSB11 from human adenosine A3 receptor expressed in CHO cells

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50221687
PNG
(2-(1,3-dimethyl-2,4-dioxo-1,2,3,4,7,8-hexahydropyr...)
Show SMILES CC(=O)OC(CN1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21)c1ccccc1 |w:4.4|
Show InChI InChI=1S/C20H23N5O4/c1-13(26)29-15(14-8-5-4-6-9-14)12-24-10-7-11-25-16-17(21-19(24)25)22(2)20(28)23(3)18(16)27/h4-6,8-9,15H,7,10-12H2,1-3H3
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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]MSX2 from adenosine A2A receptor in rat brain striatal membrane

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50221685
PNG
(9-(2-(4-fluorobenzyloxy)ethyl)-1,3-dimethyl-6,7,8,...)
Show SMILES Cn1c2nc3N(CCOCc4ccc(F)cc4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C19H22FN5O3/c1-22-16-15(17(26)23(2)19(22)27)25-9-3-8-24(18(25)21-16)10-11-28-12-13-4-6-14(20)7-5-13/h4-7H,3,8-12H2,1-2H3
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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]PSB11 from human adenosine A3 receptor expressed in CHO cells

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50221684
PNG
(CHEMBL239444 | N-(4-(2-(1,3-dimethyl-2,4-dioxo-1,2...)
Show SMILES CC(=O)Nc1ccc(OCCN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1
Show InChI InChI=1S/C20H24N6O4/c1-13(27)21-14-5-7-15(8-6-14)30-12-11-25-9-4-10-26-16-17(22-19(25)26)23(2)20(29)24(3)18(16)28/h5-8H,4,9-12H2,1-3H3,(H,21,27)
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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]PSB11 from human adenosine A3 receptor expressed in CHO cells

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50221680
PNG
(9-(2-(1H-indol-3-yl)ethyl)-1,3-dipropyl-6,7,8,9-te...)
Show SMILES CCCn1c2nc3N(CCc4c[nH]c5ccccc45)CCCn3c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C24H30N6O2/c1-3-11-29-21-20(22(31)30(12-4-2)24(29)32)28-14-7-13-27(23(28)26-21)15-10-17-16-25-19-9-6-5-8-18(17)19/h5-6,8-9,16,25H,3-4,7,10-15H2,1-2H3
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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]PSB11 from human adenosine A3 receptor expressed in CHO cells

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50221701
PNG
(9-(3,4-dimethoxyphenethyl)-1,3-dipropyl-6,7,8,9-te...)
Show SMILES CCCn1c2nc3N(CCc4ccc(OC)c(OC)c4)CCCn3c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C24H33N5O4/c1-5-11-28-21-20(22(30)29(12-6-2)24(28)31)27-14-7-13-26(23(27)25-21)15-10-17-8-9-18(32-3)19(16-17)33-4/h8-9,16H,5-7,10-15H2,1-4H3
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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]PSB11 from human adenosine A3 receptor expressed in CHO cells

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50221698
PNG
(9-(2-(benzyloxy)ethyl)-1,3-dimethyl-6,7,8,9-tetrah...)
Show SMILES Cn1c2nc3N(CCOCc4ccccc4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C19H23N5O3/c1-21-16-15(17(25)22(2)19(21)26)24-10-6-9-23(18(24)20-16)11-12-27-13-14-7-4-3-5-8-14/h3-5,7-8H,6,9-13H2,1-2H3
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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]PSB11 from human adenosine A3 receptor expressed in CHO cells

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50221702
PNG
(9-(2-(2,4-dichlorophenoxy)ethyl)-1,3-dimethyl-6,7,...)
Show SMILES Cn1c2nc3N(CCOc4ccc(Cl)cc4Cl)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C18H19Cl2N5O3/c1-22-15-14(16(26)23(2)18(22)27)25-7-3-6-24(17(25)21-15)8-9-28-13-5-4-11(19)10-12(13)20/h4-5,10H,3,6-9H2,1-2H3
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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]PSB11 from human adenosine A3 receptor expressed in CHO cells

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50221702
PNG
(9-(2-(2,4-dichlorophenoxy)ethyl)-1,3-dimethyl-6,7,...)
Show SMILES Cn1c2nc3N(CCOc4ccc(Cl)cc4Cl)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C18H19Cl2N5O3/c1-22-15-14(16(26)23(2)18(22)27)25-7-3-6-24(17(25)21-15)8-9-28-13-5-4-11(19)10-12(13)20/h4-5,10H,3,6-9H2,1-2H3
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 1.09E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50221682
PNG
(1,3-dimethyl-9-(3-phenylpropyl)-6,7,8,9-tetrahydro...)
Show SMILES Cn1c2nc3N(CCCc4ccccc4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C19H23N5O2/c1-21-16-15(17(25)22(2)19(21)26)24-13-7-12-23(18(24)20-16)11-6-10-14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-13H2,1-2H3
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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]MSX2 from adenosine A2A receptor in rat brain striatal membrane

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50221695
PNG
(9-(2-hydroxy-2-phenylethyl)-1,3-dimethyl-6,7,8,9-t...)
Show SMILES Cn1c2nc3N(CC(O)c4ccccc4)CCCn3c2c(=O)n(C)c1=O |w:7.7|
Show InChI InChI=1S/C18H21N5O3/c1-20-15-14(16(25)21(2)18(20)26)23-10-6-9-22(17(23)19-15)11-13(24)12-7-4-3-5-8-12/h3-5,7-8,13,24H,6,9-11H2,1-2H3
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 1.11E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50221704
PNG
(9-(3,4-dimethoxyphenethyl)-1,3-dimethyl-6,7,8,9-te...)
Show SMILES COc1ccc(CCN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1OC
Show InChI InChI=1S/C20H25N5O4/c1-22-17-16(18(26)23(2)20(22)27)25-10-5-9-24(19(25)21-17)11-8-13-6-7-14(28-3)15(12-13)29-4/h6-7,12H,5,8-11H2,1-4H3
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 1.21E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50221689
PNG
(2-(1,3-dimethyl-2,4-dioxo-1,2,3,4,7,8-hexahydropyr...)
Show SMILES CC(C(OC(C)=O)c1ccccc1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |w:2.2,1.0|
Show InChI InChI=1S/C21H25N5O4/c1-13(17(30-14(2)27)15-9-6-5-7-10-15)25-11-8-12-26-16-18(22-20(25)26)23(3)21(29)24(4)19(16)28/h5-7,9-10,13,17H,8,11-12H2,1-4H3
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 1.22E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50221705
PNG
(9-(2-(4-chlorobenzyloxy)ethyl)-1,3-dimethyl-6,7,8,...)
Show SMILES Cn1c2nc3N(CCOCc4ccc(Cl)cc4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C19H22ClN5O3/c1-22-16-15(17(26)23(2)19(22)27)25-9-3-8-24(18(25)21-16)10-11-28-12-13-4-6-14(20)7-5-13/h4-7H,3,8-12H2,1-2H3
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 1.33E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50221701
PNG
(9-(3,4-dimethoxyphenethyl)-1,3-dipropyl-6,7,8,9-te...)
Show SMILES CCCn1c2nc3N(CCc4ccc(OC)c(OC)c4)CCCn3c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C24H33N5O4/c1-5-11-28-21-20(22(30)29(12-6-2)24(28)31)27-14-7-13-26(23(27)25-21)15-10-17-8-9-18(32-3)19(16-17)33-4/h8-9,16H,5-7,10-15H2,1-4H3
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 1.33E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50221680
PNG
(9-(2-(1H-indol-3-yl)ethyl)-1,3-dipropyl-6,7,8,9-te...)
Show SMILES CCCn1c2nc3N(CCc4c[nH]c5ccccc45)CCCn3c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C24H30N6O2/c1-3-11-29-21-20(22(31)30(12-4-2)24(29)32)28-14-7-13-27(23(28)26-21)15-10-17-16-25-19-9-6-5-8-18(17)19/h5-6,8-9,16,25H,3-4,7,10-15H2,1-2H3
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 1.79E+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

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50221682
PNG
(1,3-dimethyl-9-(3-phenylpropyl)-6,7,8,9-tetrahydro...)
Show SMILES Cn1c2nc3N(CCCc4ccccc4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C19H23N5O2/c1-21-16-15(17(25)22(2)19(21)26)24-13-7-12-23(18(24)20-16)11-6-10-14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-13H2,1-2H3
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 1.99E+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

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50221684
PNG
(CHEMBL239444 | N-(4-(2-(1,3-dimethyl-2,4-dioxo-1,2...)
Show SMILES CC(=O)Nc1ccc(OCCN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1
Show InChI InChI=1S/C20H24N6O4/c1-13(27)21-14-5-7-15(8-6-14)30-12-11-25-9-4-10-26-16-17(22-19(25)26)23(2)20(29)24(3)18(16)28/h5-8H,4,9-12H2,1-3H3,(H,21,27)
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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]MSX2 from adenosine A2A receptor in rat brain striatal membrane

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50221700
PNG
(9-(1-hydroxy-1-phenylpropan-2-yl)-1,3-dimethyl-6,7...)
Show SMILES CC(C(O)c1ccccc1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |w:2.2,1.0|
Show InChI InChI=1S/C19H23N5O3/c1-12(15(25)13-8-5-4-6-9-13)23-10-7-11-24-14-16(20-18(23)24)21(2)19(27)22(3)17(14)26/h4-6,8-9,12,15,25H,7,10-11H2,1-3H3
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 2.16E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50221706
PNG
(9-(2-(4-fluorobenzylamino)ethyl)-1,3-dimethyl-6,7,...)
Show SMILES Cn1c2nc3N(CCNCc4ccc(F)cc4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C19H23FN6O2/c1-23-16-15(17(27)24(2)19(23)28)26-10-3-9-25(18(26)22-16)11-8-21-12-13-4-6-14(20)7-5-13/h4-7,21H,3,8-12H2,1-2H3
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 2.63E+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

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50221697
PNG
(1,3-dimethyl-9-phenethyl-6,7,8,9-tetrahydropyrimid...)
Show SMILES Cn1c2nc3N(CCc4ccccc4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C18H21N5O2/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/h3-5,7-8H,6,9-12H2,1-2H3
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 2.89E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX2 from human adenosine A2A receptor expressed in CHO cells

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50221685
PNG
(9-(2-(4-fluorobenzyloxy)ethyl)-1,3-dimethyl-6,7,8,...)
Show SMILES Cn1c2nc3N(CCOCc4ccc(F)cc4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C19H22FN5O3/c1-22-16-15(17(26)23(2)19(22)27)25-9-3-8-24(18(25)21-16)10-11-28-12-13-4-6-14(20)7-5-13/h4-7H,3,8-12H2,1-2H3
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 3.05E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50221698
PNG
(9-(2-(benzyloxy)ethyl)-1,3-dimethyl-6,7,8,9-tetrah...)
Show SMILES Cn1c2nc3N(CCOCc4ccccc4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C19H23N5O3/c1-21-16-15(17(25)22(2)19(21)26)24-10-6-9-23(18(24)20-16)11-12-27-13-14-7-4-3-5-8-14/h3-5,7-8H,6,9-13H2,1-2H3
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 3.16E+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

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50221689
PNG
(2-(1,3-dimethyl-2,4-dioxo-1,2,3,4,7,8-hexahydropyr...)
Show SMILES CC(C(OC(C)=O)c1ccccc1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |w:2.2,1.0|
Show InChI InChI=1S/C21H25N5O4/c1-13(17(30-14(2)27)15-9-6-5-7-10-15)25-11-8-12-26-16-18(22-20(25)26)23(3)21(29)24(4)19(16)28/h5-7,9-10,13,17H,8,11-12H2,1-4H3
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PubMed
 3.40E+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

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50221702
PNG
(9-(2-(2,4-dichlorophenoxy)ethyl)-1,3-dimethyl-6,7,...)
Show SMILES Cn1c2nc3N(CCOc4ccc(Cl)cc4Cl)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C18H19Cl2N5O3/c1-22-15-14(16(26)23(2)18(22)27)25-7-3-6-24(17(25)21-15)8-9-28-13-5-4-11(19)10-12(13)20/h4-5,10H,3,6-9H2,1-2H3
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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]CCPA from adenosine A1 receptor in rat brain cortical membrane

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50221685
PNG
(9-(2-(4-fluorobenzyloxy)ethyl)-1,3-dimethyl-6,7,8,...)
Show SMILES Cn1c2nc3N(CCOCc4ccc(F)cc4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C19H22FN5O3/c1-22-16-15(17(26)23(2)19(22)27)25-9-3-8-24(18(25)21-16)10-11-28-12-13-4-6-14(20)7-5-13/h4-7H,3,8-12H2,1-2H3
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 3.68E+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

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50221698
PNG
(9-(2-(benzyloxy)ethyl)-1,3-dimethyl-6,7,8,9-tetrah...)
Show SMILES Cn1c2nc3N(CCOCc4ccccc4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C19H23N5O3/c1-21-16-15(17(25)22(2)19(21)26)24-10-6-9-23(18(24)20-16)11-12-27-13-14-7-4-3-5-8-14/h3-5,7-8H,6,9-13H2,1-2H3
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 3.69E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50221703
PNG
(9-(4-methoxyphenethyl)-1,3-dimethyl-6,7,8,9-tetrah...)
Show SMILES COc1ccc(CCN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1
Show InChI InChI=1S/C19H23N5O3/c1-21-16-15(17(25)22(2)19(21)26)24-11-4-10-23(18(24)20-16)12-9-13-5-7-14(27-3)8-6-13/h5-8H,4,9-12H2,1-3H3
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 3.85E+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

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50221686
PNG
(9-(2-(4-chlorophenoxy)ethyl)-1,3-dimethyl-6,7,8,9-...)
Show SMILES Cn1c2nc3N(CCOc4ccc(Cl)cc4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C18H20ClN5O3/c1-21-15-14(16(25)22(2)18(21)26)24-9-3-8-23(17(24)20-15)10-11-27-13-6-4-12(19)5-7-13/h4-7H,3,8-11H2,1-2H3
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 4.22E+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

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50221690
PNG
((E)-9-(2-(cinnamyloxy)ethyl)-1,3-dimethyl-6,7,8,9-...)
Show SMILES Cn1c2nc3N(CCOC\C=C\c4ccccc4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C21H25N5O3/c1-23-18-17(19(27)24(2)21(23)28)26-12-7-11-25(20(26)22-18)13-15-29-14-6-10-16-8-4-3-5-9-16/h3-6,8-10H,7,11-15H2,1-2H3/b10-6+
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 4.29E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50221691
PNG
(9-(2-(1H-indol-3-yl)ethyl)-1,3-dimethyl-6,7,8,9-te...)
Show SMILES Cn1c2nc3N(CCc4c[nH]c5ccccc45)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C20H22N6O2/c1-23-17-16(18(27)24(2)20(23)28)26-10-5-9-25(19(26)22-17)11-8-13-12-21-15-7-4-3-6-14(13)15/h3-4,6-7,12,21H,5,8-11H2,1-2H3
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 4.56E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX2 from human adenosine A2A receptor expressed in CHO cells

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50221693
PNG
(1,3-dimethyl-9-(2-(p-tolyloxy)ethyl)-6,7,8,9-tetra...)
Show SMILES Cc1ccc(OCCN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1
Show InChI InChI=1S/C19H23N5O3/c1-13-5-7-14(8-6-13)27-12-11-23-9-4-10-24-15-16(20-18(23)24)21(2)19(26)22(3)17(15)25/h5-8H,4,9-12H2,1-3H3
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 4.60E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50221681
PNG
(9-(4-chlorophenethyl)-1,3-dimethyl-6,7,8,9-tetrahy...)
Show SMILES Cn1c2nc3N(CCc4ccc(Cl)cc4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C18H20ClN5O2/c1-21-15-14(16(25)22(2)18(21)26)24-10-3-9-23(17(24)20-15)11-8-12-4-6-13(19)7-5-12/h4-7H,3,8-11H2,1-2H3
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 6.47E+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

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50221683
PNG
(9-(4-hydroxyphenethyl)-1,3-dimethyl-6,7,8,9-tetrah...)
Show SMILES Cn1c2nc3N(CCc4ccc(O)cc4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C18H21N5O3/c1-20-15-14(16(25)21(2)18(20)26)23-10-3-9-22(17(23)19-15)11-8-12-4-6-13(24)7-5-12/h4-7,24H,3,8-11H2,1-2H3
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 7.20E+3n/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

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50221696
PNG
(9-(2-(benzylamino)ethyl)-1,3-dimethyl-6,7,8,9-tetr...)
Show SMILES Cn1c2nc3N(CCNCc4ccccc4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C19H24N6O2/c1-22-16-15(17(26)23(2)19(22)27)25-11-6-10-24(18(25)21-16)12-9-20-13-14-7-4-3-5-8-14/h3-5,7-8,20H,6,9-13H2,1-2H3
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 7.55E+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

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50221686
PNG
(9-(2-(4-chlorophenoxy)ethyl)-1,3-dimethyl-6,7,8,9-...)
Show SMILES Cn1c2nc3N(CCOc4ccc(Cl)cc4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C18H20ClN5O3/c1-21-15-14(16(25)22(2)18(21)26)24-9-3-8-23(17(24)20-15)10-11-27-13-6-4-12(19)5-7-13/h4-7H,3,8-11H2,1-2H3
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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]PSB11 from human adenosine A3 receptor expressed in CHO cells

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50221707
PNG
(2-(1,3-dimethyl-2,4-dioxo-1,2,3,4,7,8-hexahydropyr...)
Show SMILES Cn1c2nc3N(CCOC(=O)Nc4ccc(F)cc4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C19H21FN6O4/c1-23-15-14(16(27)24(2)19(23)29)26-9-3-8-25(17(26)22-15)10-11-30-18(28)21-13-6-4-12(20)5-7-13/h4-7H,3,8-11H2,1-2H3,(H,21,28)
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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

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50221690
PNG
((E)-9-(2-(cinnamyloxy)ethyl)-1,3-dimethyl-6,7,8,9-...)
Show SMILES Cn1c2nc3N(CCOC\C=C\c4ccccc4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C21H25N5O3/c1-23-18-17(19(27)24(2)21(23)28)26-12-7-11-25(20(26)22-18)13-15-29-14-6-10-16-8-4-3-5-9-16/h3-6,8-10H,7,11-15H2,1-2H3/b10-6+
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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

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50221684
PNG
(CHEMBL239444 | N-(4-(2-(1,3-dimethyl-2,4-dioxo-1,2...)
Show SMILES CC(=O)Nc1ccc(OCCN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1
Show InChI InChI=1S/C20H24N6O4/c1-13(27)21-14-5-7-15(8-6-14)30-12-11-25-9-4-10-26-16-17(22-19(25)26)23(2)20(29)24(3)18(16)28/h5-8H,4,9-12H2,1-3H3,(H,21,27)
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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

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50221697
PNG
(1,3-dimethyl-9-phenethyl-6,7,8,9-tetrahydropyrimid...)
Show SMILES Cn1c2nc3N(CCc4ccccc4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C18H21N5O2/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/h3-5,7-8H,6,9-12H2,1-2H3
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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 adenosine A1 receptor expressed in CHO cells

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50221697
PNG
(1,3-dimethyl-9-phenethyl-6,7,8,9-tetrahydropyrimid...)
Show SMILES Cn1c2nc3N(CCc4ccccc4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C18H21N5O2/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/h3-5,7-8H,6,9-12H2,1-2H3
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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]PSB11 from human adenosine A3 receptor expressed in CHO cells

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50221679
PNG
(2-(1,3-dimethyl-2,4-dioxo-1,2,3,4,7,8-hexahydropyr...)
Show SMILES Cn1c2nc3N(CCOC(=O)Nc4ccccc4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C19H22N6O4/c1-22-15-14(16(26)23(2)19(22)28)25-10-6-9-24(17(25)21-15)11-12-29-18(27)20-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3,(H,20,27)
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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

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50221699
PNG
(1,3-dimethyl-9-(2-(pyridin-2-yl)ethyl)-6,7,8,9-tet...)
Show SMILES Cn1c2nc3N(CCc4ccccn4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C17H20N6O2/c1-20-14-13(15(24)21(2)17(20)25)23-10-5-9-22(16(23)19-14)11-7-12-6-3-4-8-18-12/h3-4,6,8H,5,7,9-11H2,1-2H3
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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]PSB11 from human adenosine A3 receptor expressed in CHO cells

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50221679
PNG
(2-(1,3-dimethyl-2,4-dioxo-1,2,3,4,7,8-hexahydropyr...)
Show SMILES Cn1c2nc3N(CCOC(=O)Nc4ccccc4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C19H22N6O4/c1-22-15-14(16(26)23(2)19(22)28)25-10-6-9-24(17(25)21-15)11-12-29-18(27)20-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3,(H,20,27)
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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]MSX2 from adenosine A2A receptor in rat brain striatal membrane

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50221691
PNG
(9-(2-(1H-indol-3-yl)ethyl)-1,3-dimethyl-6,7,8,9-te...)
Show SMILES Cn1c2nc3N(CCc4c[nH]c5ccccc45)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C20H22N6O2/c1-23-17-16(18(27)24(2)20(23)28)26-10-5-9-25(19(26)22-17)11-8-13-12-21-15-7-4-3-6-14(13)15/h3-4,6-7,12,21H,5,8-11H2,1-2H3
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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]ZM241385 from human adenosine A2B receptor expressed in CHO cells

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50221692
PNG
(2-(1,3-dimethyl-2,4-dioxo-1,2,3,4,7,8-hexahydropyr...)
Show SMILES Cn1c2nc3N(CCOC(=O)Nc4ccc(Cl)cc4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C19H21ClN6O4/c1-23-15-14(16(27)24(2)19(23)29)26-9-3-8-25(17(26)22-15)10-11-30-18(28)21-13-6-4-12(20)5-7-13/h4-7H,3,8-11H2,1-2H3,(H,21,28)
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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

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50221688
PNG
(2-(1,3-dimethyl-2,4-dioxo-1,2,3,4,7,8-hexahydropyr...)
Show SMILES Cn1c2nc3N(CCOC(=O)Nc4cccc(Cl)c4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C19H21ClN6O4/c1-23-15-14(16(27)24(2)19(23)29)26-8-4-7-25(17(26)22-15)9-10-30-18(28)21-13-6-3-5-12(20)11-13/h3,5-6,11H,4,7-10H2,1-2H3,(H,21,28)
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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

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50221697
PNG
(1,3-dimethyl-9-phenethyl-6,7,8,9-tetrahydropyrimid...)
Show SMILES Cn1c2nc3N(CCc4ccccc4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C18H21N5O2/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/h3-5,7-8H,6,9-12H2,1-2H3
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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

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50221688
PNG
(2-(1,3-dimethyl-2,4-dioxo-1,2,3,4,7,8-hexahydropyr...)
Show SMILES Cn1c2nc3N(CCOC(=O)Nc4cccc(Cl)c4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C19H21ClN6O4/c1-23-15-14(16(27)24(2)19(23)29)26-8-4-7-25(17(26)22-15)9-10-30-18(28)21-13-6-3-5-12(20)11-13/h3,5-6,11H,4,7-10H2,1-2H3,(H,21,28)
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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]MSX2 from adenosine A2A receptor in rat brain striatal membrane

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50221693
PNG
(1,3-dimethyl-9-(2-(p-tolyloxy)ethyl)-6,7,8,9-tetra...)
Show SMILES Cc1ccc(OCCN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1
Show InChI InChI=1S/C19H23N5O3/c1-13-5-7-14(8-6-13)27-12-11-23-9-4-10-24-15-16(20-18(23)24)21(2)19(26)22(3)17(15)25/h5-8H,4,9-12H2,1-3H3
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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 adenosine A1 receptor in rat brain cortical membrane

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50221696
PNG
(9-(2-(benzylamino)ethyl)-1,3-dimethyl-6,7,8,9-tetr...)
Show SMILES Cn1c2nc3N(CCNCc4ccccc4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C19H24N6O2/c1-22-16-15(17(26)23(2)19(22)27)25-11-6-10-24(18(25)21-16)12-9-20-13-14-7-4-3-5-8-14/h3-5,7-8,20H,6,9-13H2,1-2H3
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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]ZM241385 from human adenosine A2B receptor expressed in CHO cells

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50221686
PNG
(9-(2-(4-chlorophenoxy)ethyl)-1,3-dimethyl-6,7,8,9-...)
Show SMILES Cn1c2nc3N(CCOc4ccc(Cl)cc4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C18H20ClN5O3/c1-21-15-14(16(25)22(2)18(21)26)24-9-3-8-23(17(24)20-15)10-11-27-13-6-4-12(19)5-7-13/h4-7H,3,8-11H2,1-2H3
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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]ZM241385 from human adenosine A2B receptor expressed in CHO cells

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50221705
PNG
(9-(2-(4-chlorobenzyloxy)ethyl)-1,3-dimethyl-6,7,8,...)
Show SMILES Cn1c2nc3N(CCOCc4ccc(Cl)cc4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C19H22ClN5O3/c1-22-16-15(17(26)23(2)19(22)27)25-9-3-8-24(18(25)21-16)10-11-28-12-13-4-6-14(20)7-5-13/h4-7H,3,8-12H2,1-2H3
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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]CCPA from adenosine A1 receptor in rat brain cortical membrane

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50221683
PNG
(9-(4-hydroxyphenethyl)-1,3-dimethyl-6,7,8,9-tetrah...)
Show SMILES Cn1c2nc3N(CCc4ccc(O)cc4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C18H21N5O3/c1-20-15-14(16(25)21(2)18(20)26)23-10-3-9-22(17(23)19-15)11-8-12-4-6-13(24)7-5-12/h4-7,24H,3,8-11H2,1-2H3
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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]PSB11 from human adenosine A3 receptor expressed in CHO cells

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50221691
PNG
(9-(2-(1H-indol-3-yl)ethyl)-1,3-dimethyl-6,7,8,9-te...)
Show SMILES Cn1c2nc3N(CCc4c[nH]c5ccccc45)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C20H22N6O2/c1-23-17-16(18(27)24(2)20(23)28)26-10-5-9-25(19(26)22-17)11-8-13-12-21-15-7-4-3-6-14(13)15/h3-4,6-7,12,21H,5,8-11H2,1-2H3
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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]PSB11 from human adenosine A3 receptor expressed in CHO cells

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50221692
PNG
(2-(1,3-dimethyl-2,4-dioxo-1,2,3,4,7,8-hexahydropyr...)
Show SMILES Cn1c2nc3N(CCOC(=O)Nc4ccc(Cl)cc4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C19H21ClN6O4/c1-23-15-14(16(27)24(2)19(23)29)26-9-3-8-25(17(26)22-15)10-11-30-18(28)21-13-6-4-12(20)5-7-13/h4-7H,3,8-11H2,1-2H3,(H,21,28)
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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]MSX2 from adenosine A2A receptor in rat brain striatal membrane

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50221699
PNG
(1,3-dimethyl-9-(2-(pyridin-2-yl)ethyl)-6,7,8,9-tet...)
Show SMILES Cn1c2nc3N(CCc4ccccn4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C17H20N6O2/c1-20-14-13(15(24)21(2)17(20)25)23-10-5-9-22(16(23)19-14)11-7-12-6-3-4-8-18-12/h3-4,6,8H,5,7,9-11H2,1-2H3
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 1.34E+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

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50221694
PNG
(9-phenethyl-1,3-dipropyl-6,7,8,9-tetrahydropyrimid...)
Show SMILES CCCn1c2nc3N(CCc4ccccc4)CCCn3c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C22H29N5O2/c1-3-12-26-19-18(20(28)27(13-4-2)22(26)29)25-15-8-14-24(21(25)23-19)16-11-17-9-6-5-7-10-17/h5-7,9-10H,3-4,8,11-16H2,1-2H3
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 1.37E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB11 from human adenosine A3 receptor expressed in CHO cells

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50221706
PNG
(9-(2-(4-fluorobenzylamino)ethyl)-1,3-dimethyl-6,7,...)
Show SMILES Cn1c2nc3N(CCNCc4ccc(F)cc4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C19H23FN6O2/c1-23-16-15(17(27)24(2)19(23)28)26-10-3-9-25(18(26)22-16)11-8-21-12-13-4-6-14(20)7-5-13/h4-7,21H,3,8-12H2,1-2H3
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 1.40E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
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

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50221696
PNG
(9-(2-(benzylamino)ethyl)-1,3-dimethyl-6,7,8,9-tetr...)
Show SMILES Cn1c2nc3N(CCNCc4ccccc4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C19H24N6O2/c1-22-16-15(17(26)23(2)19(22)27)25-11-6-10-24(18(25)21-16)12-9-20-13-14-7-4-3-5-8-14/h3-5,7-8,20H,6,9-13H2,1-2H3
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 2.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50221697
PNG
(1,3-dimethyl-9-phenethyl-6,7,8,9-tetrahydropyrimid...)
Show SMILES Cn1c2nc3N(CCc4ccccc4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C18H21N5O2/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/h3-5,7-8H,6,9-12H2,1-2H3
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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

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50221683
PNG
(9-(4-hydroxyphenethyl)-1,3-dimethyl-6,7,8,9-tetrah...)
Show SMILES Cn1c2nc3N(CCc4ccc(O)cc4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C18H21N5O3/c1-20-15-14(16(25)21(2)18(20)26)23-10-3-9-22(17(23)19-15)11-8-12-4-6-13(24)7-5-12/h4-7,24H,3,8-11H2,1-2H3
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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

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50221699
PNG
(1,3-dimethyl-9-(2-(pyridin-2-yl)ethyl)-6,7,8,9-tet...)
Show SMILES Cn1c2nc3N(CCc4ccccn4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C17H20N6O2/c1-20-14-13(15(24)21(2)17(20)25)23-10-5-9-22(16(23)19-14)11-7-12-6-3-4-8-18-12/h3-4,6,8H,5,7,9-11H2,1-2H3
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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]MSX2 from adenosine A2A receptor in rat brain striatal membrane

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50221699
PNG
(1,3-dimethyl-9-(2-(pyridin-2-yl)ethyl)-6,7,8,9-tet...)
Show SMILES Cn1c2nc3N(CCc4ccccn4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C17H20N6O2/c1-20-14-13(15(24)21(2)17(20)25)23-10-5-9-22(16(23)19-14)11-7-12-6-3-4-8-18-12/h3-4,6,8H,5,7,9-11H2,1-2H3
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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

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50221695
PNG
(9-(2-hydroxy-2-phenylethyl)-1,3-dimethyl-6,7,8,9-t...)
Show SMILES Cn1c2nc3N(CC(O)c4ccccc4)CCCn3c2c(=O)n(C)c1=O |w:7.7|
Show InChI InChI=1S/C18H21N5O3/c1-20-15-14(16(25)21(2)18(20)26)23-10-6-9-22(17(23)19-15)11-13(24)12-7-4-3-5-8-12/h3-5,7-8,13,24H,6,9-11H2,1-2H3
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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

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50221686
PNG
(9-(2-(4-chlorophenoxy)ethyl)-1,3-dimethyl-6,7,8,9-...)
Show SMILES Cn1c2nc3N(CCOc4ccc(Cl)cc4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C18H20ClN5O3/c1-21-15-14(16(25)22(2)18(21)26)24-9-3-8-23(17(24)20-15)10-11-27-13-6-4-12(19)5-7-13/h4-7H,3,8-11H2,1-2H3
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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]MSX2 from adenosine A2A receptor in rat brain striatal membrane

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50221700
PNG
(9-(1-hydroxy-1-phenylpropan-2-yl)-1,3-dimethyl-6,7...)
Show SMILES CC(C(O)c1ccccc1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |w:2.2,1.0|
Show InChI InChI=1S/C19H23N5O3/c1-12(15(25)13-8-5-4-6-9-13)23-10-7-11-24-14-16(20-18(23)24)21(2)19(27)22(3)17(14)26/h4-6,8-9,12,15,25H,7,10-11H2,1-3H3
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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

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50221687
PNG
(2-(1,3-dimethyl-2,4-dioxo-1,2,3,4,7,8-hexahydropyr...)
Show SMILES CC(=O)OC(CN1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21)c1ccccc1 |w:4.4|
Show InChI InChI=1S/C20H23N5O4/c1-13(26)29-15(14-8-5-4-6-9-14)12-24-10-7-11-25-16-17(21-19(24)25)22(2)20(28)23(3)18(16)27/h4-6,8-9,15H,7,10-12H2,1-3H3
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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

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50221691
PNG
(9-(2-(1H-indol-3-yl)ethyl)-1,3-dimethyl-6,7,8,9-te...)
Show SMILES Cn1c2nc3N(CCc4c[nH]c5ccccc45)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C20H22N6O2/c1-23-17-16(18(27)24(2)20(23)28)26-10-5-9-25(19(26)22-17)11-8-13-12-21-15-7-4-3-6-14(13)15/h3-4,6-7,12,21H,5,8-11H2,1-2H3
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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 human adenosine A1 receptor expressed in CHO cells

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50221691
PNG
(9-(2-(1H-indol-3-yl)ethyl)-1,3-dimethyl-6,7,8,9-te...)
Show SMILES Cn1c2nc3N(CCc4c[nH]c5ccccc45)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C20H22N6O2/c1-23-17-16(18(27)24(2)20(23)28)26-10-5-9-25(19(26)22-17)11-8-13-12-21-15-7-4-3-6-14(13)15/h3-4,6-7,12,21H,5,8-11H2,1-2H3
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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

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair
Adenosine receptor 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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 3.25E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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

Bioorg Med Chem 15: 6956-74 (2007)


Article DOI: 10.1016/j.bmc.2007.07.051
BindingDB Entry DOI: 10.7270/Q26W99TB
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
* indicates data uncertainty>20%