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PubMed code 16789747

Compile data set for download or QSAR
Found 71 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Adenosine receptor A1


(BOVINE)		BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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 0.5n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in bovine brain membranes

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50189814
PNG
(CHEMBL211862 | N-(2-(4-methoxyphenyl)-6-nitro-1-ox...)
Show SMILES COc1ccc(cc1)-n1nc2c(NC(=O)C(c3ccccc3)c3ccccc3)nc3c(cccc3n2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C30H22N6O5/c1-41-22-17-15-21(16-18-22)35-30(38)34-23-13-8-14-24(36(39)40)26(23)31-27(28(34)33-35)32-29(37)25(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-18,25H,1H3,(H,31,32,37)
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 0.800n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


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

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50189810
PNG
(CHEMBL209927 | N-(1-oxo-2-phenyl-1,2-dihydro-[1,2,...)
Show SMILES O=C(Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H21N5O2/c35-28(25(20-12-4-1-5-13-20)21-14-6-2-7-15-21)31-26-27-32-34(22-16-8-3-9-17-22)29(36)33(27)24-19-11-10-18-23(24)30-26/h1-19,25H,(H,30,31,35)
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 0.810n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


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

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50189815
PNG
(6-amino-4-benzamido-1,2-dihydro-2-(4-methoxyphenyl...)
Show SMILES COc1ccc(cc1)-n1nc2c(NC(=O)c3ccccc3)nc3c(N)cccc3n2c1=O
Show InChI InChI=1S/C23H18N6O3/c1-32-16-12-10-15(11-13-16)29-23(31)28-18-9-5-8-17(24)19(18)25-20(21(28)27-29)26-22(30)14-6-3-2-4-7-14/h2-13H,24H2,1H3,(H,25,26,30)
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 1n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


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

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50189809
PNG
(CHEMBL378514 | N-(6-amino-1-oxo-2-phenyl-1,2-dihyd...)
Show SMILES CC(=O)Nc1nc2c(N)cccc2n2c1nn(-c1ccccc1)c2=O
Show InChI InChI=1S/C17H14N6O2/c1-10(24)19-15-16-21-23(11-6-3-2-4-7-11)17(25)22(16)13-9-5-8-12(18)14(13)20-15/h2-9H,18H2,1H3,(H,19,20,24)
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 1n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in bovine brain membranes

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50086159
PNG
(CHEMBL16488 | N-(1-Oxo-2-phenyl-1,2-dihydro-[1,2,4...)
Show SMILES O=C(Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O)c1ccccc1
Show InChI InChI=1S/C22H15N5O2/c28-21(15-9-3-1-4-10-15)24-19-20-25-27(16-11-5-2-6-12-16)22(29)26(20)18-14-8-7-13-17(18)23-19/h1-14H,(H,23,24,28)
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 1.47n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


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

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50189817
PNG
(6-amino-1,2-dihydro-2-phenyl-4-diphenylacetamido-1...)
Show SMILES Nc1cccc2c1nc(NC(=O)C(c1ccccc1)c1ccccc1)c1nn(-c3ccccc3)c(=O)n21
Show InChI InChI=1S/C29H22N6O2/c30-22-17-10-18-23-25(22)31-26(27-33-35(29(37)34(23)27)21-15-8-3-9-16-21)32-28(36)24(19-11-4-1-5-12-19)20-13-6-2-7-14-20/h1-18,24H,30H2,(H,31,32,36)
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 1.60n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in bovine brain membranes

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50086146
PNG
(CHEMBL16305 | N-(1-Oxo-2-phenyl-1,2-dihydro-[1,2,4...)
Show SMILES CC(=O)Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O
Show InChI InChI=1S/C17H13N5O2/c1-11(23)18-15-16-20-22(12-7-3-2-4-8-12)17(24)21(16)14-10-6-5-9-13(14)19-15/h2-10H,1H3,(H,18,19,23)
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 2n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


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

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50189803
PNG
(6-amino-1,2-dihydro-2-(methoxyphenyl)-4-diphenylac...)
Show SMILES COc1ccc(cc1)-n1nc2c(NC(=O)C(c3ccccc3)c3ccccc3)nc3c(N)cccc3n2c1=O
Show InChI InChI=1S/C30H24N6O3/c1-39-22-17-15-21(16-18-22)36-30(38)35-24-14-8-13-23(31)26(24)32-27(28(35)34-36)33-29(37)25(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-18,25H,31H2,1H3,(H,32,33,37)
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 2.58n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


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

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50189807
PNG
(4-benzamido-2-(4-methoxyphenyl)-1,2-dihydro-1,2,4-...)
Show SMILES COc1ccc(cc1)-n1nc2c(NC(=O)c3ccccc3)nc3ccccc3n2c1=O
Show InChI InChI=1S/C23H17N5O3/c1-31-17-13-11-16(12-14-17)28-23(30)27-19-10-6-5-9-18(19)24-20(21(27)26-28)25-22(29)15-7-3-2-4-8-15/h2-14H,1H3,(H,24,25,29)
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 2.90n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


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

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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 3.20n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


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

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50189812
PNG
(CHEMBL212458 | N-benzoyl-N-[2-(4-methoxy-phenyl)-1...)
Show SMILES COc1ccc(cc1)-n1nc2c(nc3ccccc3n2c1=O)N(C(=O)c1ccccc1)C(=O)c1ccccc1
Show InChI InChI=1S/C30H21N5O4/c1-39-23-18-16-22(17-19-23)35-30(38)33-25-15-9-8-14-24(25)31-26(27(33)32-35)34(28(36)20-10-4-2-5-11-20)29(37)21-12-6-3-7-13-21/h2-19H,1H3
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 3.29n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


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

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50189806
PNG
(CHEMBL212633 | N-(6-nitro-1-oxo-2-phenyl-1,2-dihyd...)
Show SMILES [O-][N+](=O)c1cccc2c1nc(NC(=O)C(c1ccccc1)c1ccccc1)c1nn(-c3ccccc3)c(=O)n21
Show InChI InChI=1S/C29H20N6O4/c36-28(24(19-11-4-1-5-12-19)20-13-6-2-7-14-20)31-26-27-32-34(21-15-8-3-9-16-21)29(37)33(27)22-17-10-18-23(35(38)39)25(22)30-26/h1-18,24H,(H,30,31,36)
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 3.90n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in bovine brain membranes

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50086146
PNG
(CHEMBL16305 | N-(1-Oxo-2-phenyl-1,2-dihydro-[1,2,4...)
Show SMILES CC(=O)Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O
Show InChI InChI=1S/C17H13N5O2/c1-11(23)18-15-16-20-22(12-7-3-2-4-8-12)17(24)21(16)14-10-6-5-9-13(14)19-15/h2-10H,1H3,(H,18,19,23)
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 4.30n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in bovine brain membranes

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50189818
PNG
(CHEMBL211449 | N-benzoyl-N-(1-oxo-2-phenyl-1,2-dih...)
Show SMILES O=C(N(C(=O)c1ccccc1)c1nc2ccccc2n2c1nn(-c1ccccc1)c2=O)c1ccccc1
Show InChI InChI=1S/C29H19N5O3/c35-27(20-12-4-1-5-13-20)33(28(36)21-14-6-2-7-15-21)25-26-31-34(22-16-8-3-9-17-22)29(37)32(26)24-19-11-10-18-23(24)30-25/h1-19H
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 5.20n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


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

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50189811
PNG
(CHEMBL210642 | N-(6-amino-2-(4-methoxyphenyl)-1-ox...)
Show SMILES COc1ccc(cc1)-n1nc2c(NC(C)=O)nc3c(N)cccc3n2c1=O
Show InChI InChI=1S/C18H16N6O3/c1-10(25)20-16-17-22-24(11-6-8-12(27-2)9-7-11)18(26)23(17)14-5-3-4-13(19)15(14)21-16/h3-9H,19H2,1-2H3,(H,20,21,25)
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 5.5n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


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

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50189820
PNG
(4-acetamido-1,2-dihydro-6-nitro-2-phenyl-1,2,4-tri...)
Show SMILES CC(=O)Nc1nc2c(cccc2n2c1nn(-c1ccccc1)c2=O)[N+]([O-])=O
Show InChI InChI=1S/C17H12N6O4/c1-10(24)18-15-16-20-22(11-6-3-2-4-7-11)17(25)21(16)12-8-5-9-13(23(26)27)14(12)19-15/h2-9H,1H3,(H,18,19,24)
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 6n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in bovine brain membranes

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50189805
PNG
(CHEMBL445067 | N-(2-(4-methoxyphenyl)-1-oxo-1,2-di...)
Show SMILES COc1ccc(cc1)-n1nc2c(NC(=O)C(c3ccccc3)c3ccccc3)nc3ccccc3n2c1=O
Show InChI InChI=1S/C30H23N5O3/c1-38-23-18-16-22(17-19-23)35-30(37)34-25-15-9-8-14-24(25)31-27(28(34)33-35)32-29(36)26(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-19,26H,1H3,(H,31,32,36)
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 7.20n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in bovine brain membranes

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50189817
PNG
(6-amino-1,2-dihydro-2-phenyl-4-diphenylacetamido-1...)
Show SMILES Nc1cccc2c1nc(NC(=O)C(c1ccccc1)c1ccccc1)c1nn(-c3ccccc3)c(=O)n21
Show InChI InChI=1S/C29H22N6O2/c30-22-17-10-18-23-25(22)31-26(27-33-35(29(37)34(23)27)21-15-8-3-9-16-21)32-28(36)24(19-11-4-1-5-12-19)20-13-6-2-7-14-20/h1-18,24H,30H2,(H,31,32,36)
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 8.65n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


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

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50189810
PNG
(CHEMBL209927 | N-(1-oxo-2-phenyl-1,2-dihydro-[1,2,...)
Show SMILES O=C(Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H21N5O2/c35-28(25(20-12-4-1-5-13-20)21-14-6-2-7-15-21)31-26-27-32-34(22-16-8-3-9-17-22)29(36)33(27)24-19-11-10-18-23(24)30-26/h1-19,25H,(H,30,31,35)
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 10.2n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in bovine brain membranes

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50189806
PNG
(CHEMBL212633 | N-(6-nitro-1-oxo-2-phenyl-1,2-dihyd...)
Show SMILES [O-][N+](=O)c1cccc2c1nc(NC(=O)C(c1ccccc1)c1ccccc1)c1nn(-c3ccccc3)c(=O)n21
Show InChI InChI=1S/C29H20N6O4/c36-28(24(19-11-4-1-5-12-19)20-13-6-2-7-14-20)31-26-27-32-34(21-15-8-3-9-16-21)29(37)33(27)22-17-10-18-23(35(38)39)25(22)30-26/h1-18,24H,(H,30,31,36)
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 14.9n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


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

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50189810
PNG
(CHEMBL209927 | N-(1-oxo-2-phenyl-1,2-dihydro-[1,2,...)
Show SMILES O=C(Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H21N5O2/c35-28(25(20-12-4-1-5-13-20)21-14-6-2-7-15-21)31-26-27-32-34(22-16-8-3-9-17-22)29(36)33(27)24-19-11-10-18-23(24)30-26/h1-19,25H,(H,30,31,35)
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 18.8n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


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

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50189819
PNG
(6-amino-4-benzamido-1,2-dihydro-2-phenyl-1,2,4-tri...)
Show SMILES Nc1cccc2c1nc(NC(=O)c1ccccc1)c1nn(-c3ccccc3)c(=O)n21
Show InChI InChI=1S/C22H16N6O2/c23-16-12-7-13-17-18(16)24-19(25-21(29)14-8-3-1-4-9-14)20-26-28(22(30)27(17)20)15-10-5-2-6-11-15/h1-13H,23H2,(H,24,25,29)
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 22n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


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

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50189813
PNG
(4-benzamido-6-nitro-2-phenyl-1,2-dihydro-1,2,4-tri...)
Show SMILES [O-][N+](=O)c1cccc2c1nc(NC(=O)c1ccccc1)c1nn(-c3ccccc3)c(=O)n21
Show InChI InChI=1S/C22H14N6O4/c29-21(14-8-3-1-4-9-14)24-19-20-25-27(15-10-5-2-6-11-15)22(30)26(20)16-12-7-13-17(28(31)32)18(16)23-19/h1-13H,(H,23,24,29)
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 22n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


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

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50189818
PNG
(CHEMBL211449 | N-benzoyl-N-(1-oxo-2-phenyl-1,2-dih...)
Show SMILES O=C(N(C(=O)c1ccccc1)c1nc2ccccc2n2c1nn(-c1ccccc1)c2=O)c1ccccc1
Show InChI InChI=1S/C29H19N5O3/c35-27(20-12-4-1-5-13-20)33(28(36)21-14-6-2-7-15-21)25-26-31-34(22-16-8-3-9-17-22)29(37)32(26)24-19-11-10-18-23(24)30-25/h1-19H
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 30n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in bovine brain membranes

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50189808
PNG
(4-acetamido-2-(4-methoxyphenyl)-1,2-dihydro-1,2,4-...)
Show SMILES COc1ccc(cc1)-n1nc2c(NC(C)=O)nc3ccccc3n2c1=O
Show InChI InChI=1S/C18H15N5O3/c1-11(24)19-16-17-21-23(12-7-9-13(26-2)10-8-12)18(25)22(17)15-6-4-3-5-14(15)20-16/h3-10H,1-2H3,(H,19,20,24)
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 35.7n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


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

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50189819
PNG
(6-amino-4-benzamido-1,2-dihydro-2-phenyl-1,2,4-tri...)
Show SMILES Nc1cccc2c1nc(NC(=O)c1ccccc1)c1nn(-c3ccccc3)c(=O)n21
Show InChI InChI=1S/C22H16N6O2/c23-16-12-7-13-17-18(16)24-19(25-21(29)14-8-3-1-4-9-14)20-26-28(22(30)27(17)20)15-10-5-2-6-11-15/h1-13H,23H2,(H,24,25,29)
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 42n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in bovine brain membranes

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50189805
PNG
(CHEMBL445067 | N-(2-(4-methoxyphenyl)-1-oxo-1,2-di...)
Show SMILES COc1ccc(cc1)-n1nc2c(NC(=O)C(c3ccccc3)c3ccccc3)nc3ccccc3n2c1=O
Show InChI InChI=1S/C30H23N5O3/c1-38-23-18-16-22(17-19-23)35-30(37)34-25-15-9-8-14-24(25)31-27(28(34)33-35)32-29(36)26(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-19,26H,1H3,(H,31,32,36)
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 44n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


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

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50189809
PNG
(CHEMBL378514 | N-(6-amino-1-oxo-2-phenyl-1,2-dihyd...)
Show SMILES CC(=O)Nc1nc2c(N)cccc2n2c1nn(-c1ccccc1)c2=O
Show InChI InChI=1S/C17H14N6O2/c1-10(24)19-15-16-21-23(11-6-3-2-4-7-11)17(25)22(16)13-9-5-8-12(18)14(13)20-15/h2-9H,18H2,1H3,(H,19,20,24)
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 48n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


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

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50189803
PNG
(6-amino-1,2-dihydro-2-(methoxyphenyl)-4-diphenylac...)
Show SMILES COc1ccc(cc1)-n1nc2c(NC(=O)C(c3ccccc3)c3ccccc3)nc3c(N)cccc3n2c1=O
Show InChI InChI=1S/C30H24N6O3/c1-39-22-17-15-21(16-18-22)36-30(38)35-24-14-8-13-23(31)26(24)32-27(28(35)34-36)33-29(37)25(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-18,25H,31H2,1H3,(H,32,33,37)
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 77.5n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in bovine brain membranes

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50189802
PNG
(CHEMBL380162 | N-(6-amino-1-oxo-2-phenyl-1,2-dihyd...)
Show SMILES Nc1cccc2c1nc(N(C(=O)c1ccccc1)C(=O)c1ccccc1)c1nn(-c3ccccc3)c(=O)n21
Show InChI InChI=1S/C29H20N6O3/c30-22-17-10-18-23-24(22)31-25(26-32-35(29(38)33(23)26)21-15-8-3-9-16-21)34(27(36)19-11-4-1-5-12-19)28(37)20-13-6-2-7-14-20/h1-18H,30H2
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 79n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in bovine brain membranes

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50086159
PNG
(CHEMBL16488 | N-(1-Oxo-2-phenyl-1,2-dihydro-[1,2,4...)
Show SMILES O=C(Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O)c1ccccc1
Show InChI InChI=1S/C22H15N5O2/c28-21(15-9-3-1-4-10-15)24-19-20-25-27(16-11-5-2-6-12-16)22(29)26(20)18-14-8-7-13-17(18)23-19/h1-14H,(H,23,24,28)
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 87.8n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


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

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50086159
PNG
(CHEMBL16488 | N-(1-Oxo-2-phenyl-1,2-dihydro-[1,2,4...)
Show SMILES O=C(Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O)c1ccccc1
Show InChI InChI=1S/C22H15N5O2/c28-21(15-9-3-1-4-10-15)24-19-20-25-27(16-11-5-2-6-12-16)22(29)26(20)18-14-8-7-13-17(18)23-19/h1-14H,(H,23,24,28)
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 88.2n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


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

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50086159
PNG
(CHEMBL16488 | N-(1-Oxo-2-phenyl-1,2-dihydro-[1,2,4...)
Show SMILES O=C(Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O)c1ccccc1
Show InChI InChI=1S/C22H15N5O2/c28-21(15-9-3-1-4-10-15)24-19-20-25-27(16-11-5-2-6-12-16)22(29)26(20)18-14-8-7-13-17(18)23-19/h1-14H,(H,23,24,28)
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 89.6n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in bovine brain membranes

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50189819
PNG
(6-amino-4-benzamido-1,2-dihydro-2-phenyl-1,2,4-tri...)
Show SMILES Nc1cccc2c1nc(NC(=O)c1ccccc1)c1nn(-c3ccccc3)c(=O)n21
Show InChI InChI=1S/C22H16N6O2/c23-16-12-7-13-17-18(16)24-19(25-21(29)14-8-3-1-4-9-14)20-26-28(22(30)27(17)20)15-10-5-2-6-11-15/h1-13H,23H2,(H,24,25,29)
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 98n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


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

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50189804
PNG
(4-benzamido-1,2-dihydro-2-(4-nitrophenyl)-1,2,4-tr...)
Show SMILES [O-][N+](=O)c1ccc(cc1)-n1nc2c(NC(=O)c3ccccc3)nc3ccccc3n2c1=O
Show InChI InChI=1S/C22H14N6O4/c29-21(14-6-2-1-3-7-14)24-19-20-25-27(15-10-12-16(13-11-15)28(31)32)22(30)26(20)18-9-5-4-8-17(18)23-19/h1-13H,(H,23,24,29)
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 100n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


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

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50189812
PNG
(CHEMBL212458 | N-benzoyl-N-[2-(4-methoxy-phenyl)-1...)
Show SMILES COc1ccc(cc1)-n1nc2c(nc3ccccc3n2c1=O)N(C(=O)c1ccccc1)C(=O)c1ccccc1
Show InChI InChI=1S/C30H21N5O4/c1-39-23-18-16-22(17-19-23)35-30(38)33-25-15-9-8-14-24(25)31-26(27(33)32-35)34(28(36)20-10-4-2-5-11-20)29(37)21-12-6-3-7-13-21/h2-19H,1H3
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 175n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in bovine brain membranes

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50189816
PNG
(4-benzamido-2-(4-methoxyphenyl)-6-nitro-1,2-dihydr...)
Show SMILES COc1ccc(cc1)-n1nc2c(NC(=O)c3ccccc3)nc3c(cccc3n2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C23H16N6O5/c1-34-16-12-10-15(11-13-16)28-23(31)27-17-8-5-9-18(29(32)33)19(17)24-20(21(27)26-28)25-22(30)14-6-3-2-4-7-14/h2-13H,1H3,(H,24,25,30)
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 217n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


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

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50189808
PNG
(4-acetamido-2-(4-methoxyphenyl)-1,2-dihydro-1,2,4-...)
Show SMILES COc1ccc(cc1)-n1nc2c(NC(C)=O)nc3ccccc3n2c1=O
Show InChI InChI=1S/C18H15N5O3/c1-11(24)19-16-17-21-23(12-7-9-13(26-2)10-8-12)18(25)22(17)15-6-4-3-5-14(15)20-16/h3-10H,1-2H3,(H,19,20,24)
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 245n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in bovine brain membranes

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50189814
PNG
(CHEMBL211862 | N-(2-(4-methoxyphenyl)-6-nitro-1-ox...)
Show SMILES COc1ccc(cc1)-n1nc2c(NC(=O)C(c3ccccc3)c3ccccc3)nc3c(cccc3n2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C30H22N6O5/c1-41-22-17-15-21(16-18-22)35-30(38)34-23-13-8-14-24(36(39)40)26(23)31-27(28(34)33-35)32-29(37)25(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-18,25H,1H3,(H,31,32,37)
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 260n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in bovine brain membranes

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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 260n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


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

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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 337n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS 21680 from adenosine A2A receptor in bovine striatal membranes

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50189821
PNG
(CHEMBL377781 | N-benzoyl-N-(2-(4-methoxyphenyl)-6-...)
Show SMILES COc1ccc(cc1)-n1nc2c(nc3c(cccc3n2c1=O)[N+]([O-])=O)N(C(=O)c1ccccc1)C(=O)c1ccccc1
Show InChI InChI=1S/C30H20N6O6/c1-42-22-17-15-21(16-18-22)35-30(39)33-23-13-8-14-24(36(40)41)25(23)31-26(27(33)32-35)34(28(37)19-9-4-2-5-10-19)29(38)20-11-6-3-7-12-20/h2-18H,1H3
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 343n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


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

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50189811
PNG
(CHEMBL210642 | N-(6-amino-2-(4-methoxyphenyl)-1-ox...)
Show SMILES COc1ccc(cc1)-n1nc2c(NC(C)=O)nc3c(N)cccc3n2c1=O
Show InChI InChI=1S/C18H16N6O3/c1-10(25)20-16-17-22-24(11-6-8-12(27-2)9-7-11)18(26)23(17)14-5-3-4-13(19)15(14)21-16/h3-9H,19H2,1-2H3,(H,20,21,25)
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 363n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in bovine brain membranes

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50189809
PNG
(CHEMBL378514 | N-(6-amino-1-oxo-2-phenyl-1,2-dihyd...)
Show SMILES CC(=O)Nc1nc2c(N)cccc2n2c1nn(-c1ccccc1)c2=O
Show InChI InChI=1S/C17H14N6O2/c1-10(24)19-15-16-21-23(11-6-3-2-4-7-11)17(25)22(16)13-9-5-8-12(18)14(13)20-15/h2-9H,18H2,1H3,(H,19,20,24)
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 367n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


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

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50189815
PNG
(6-amino-4-benzamido-1,2-dihydro-2-(4-methoxyphenyl...)
Show SMILES COc1ccc(cc1)-n1nc2c(NC(=O)c3ccccc3)nc3c(N)cccc3n2c1=O
Show InChI InChI=1S/C23H18N6O3/c1-32-16-12-10-15(11-13-16)29-23(31)28-18-9-5-8-17(24)19(18)25-20(21(28)27-29)26-22(30)14-6-3-2-4-7-14/h2-13H,24H2,1H3,(H,25,26,30)
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 393n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in bovine brain membranes

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50189817
PNG
(6-amino-1,2-dihydro-2-phenyl-4-diphenylacetamido-1...)
Show SMILES Nc1cccc2c1nc(NC(=O)C(c1ccccc1)c1ccccc1)c1nn(-c3ccccc3)c(=O)n21
Show InChI InChI=1S/C29H22N6O2/c30-22-17-10-18-23-25(22)31-26(27-33-35(29(37)34(23)27)21-15-8-3-9-16-21)32-28(36)24(19-11-4-1-5-12-19)20-13-6-2-7-14-20/h1-18,24H,30H2,(H,31,32,36)
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 627n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


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

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50189807
PNG
(4-benzamido-2-(4-methoxyphenyl)-1,2-dihydro-1,2,4-...)
Show SMILES COc1ccc(cc1)-n1nc2c(NC(=O)c3ccccc3)nc3ccccc3n2c1=O
Show InChI InChI=1S/C23H17N5O3/c1-31-17-13-11-16(12-14-17)28-23(30)27-19-10-6-5-9-18(19)24-20(21(27)26-28)25-22(29)15-7-3-2-4-8-15/h2-14H,1H3,(H,24,25,29)
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 1.01E+3n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in bovine brain membranes

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50189811
PNG
(CHEMBL210642 | N-(6-amino-2-(4-methoxyphenyl)-1-ox...)
Show SMILES COc1ccc(cc1)-n1nc2c(NC(C)=O)nc3c(N)cccc3n2c1=O
Show InChI InChI=1S/C18H16N6O3/c1-10(25)20-16-17-22-24(11-6-8-12(27-2)9-7-11)18(26)23(17)14-5-3-4-13(19)15(14)21-16/h3-9H,19H2,1-2H3,(H,20,21,25)
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 1.10E+3n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


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

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50189810
PNG
(CHEMBL209927 | N-(1-oxo-2-phenyl-1,2-dihydro-[1,2,...)
Show SMILES O=C(Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H21N5O2/c35-28(25(20-12-4-1-5-13-20)21-14-6-2-7-15-21)31-26-27-32-34(22-16-8-3-9-17-22)29(36)33(27)24-19-11-10-18-23(24)30-26/h1-19,25H,(H,30,31,35)
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 1.16E+3n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS 21680 from adenosine A2A receptor in bovine striatal membranes

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50189802
PNG
(CHEMBL380162 | N-(6-amino-1-oxo-2-phenyl-1,2-dihyd...)
Show SMILES Nc1cccc2c1nc(N(C(=O)c1ccccc1)C(=O)c1ccccc1)c1nn(-c3ccccc3)c(=O)n21
Show InChI InChI=1S/C29H20N6O3/c30-22-17-10-18-23-24(22)31-25(26-32-35(29(38)33(23)26)21-15-8-3-9-16-21)34(27(36)19-11-4-1-5-12-19)28(37)20-13-6-2-7-14-20/h1-18H,30H2
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 1.24E+3n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


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

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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 1.30E+3n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


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

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50086146
PNG
(CHEMBL16305 | N-(1-Oxo-2-phenyl-1,2-dihydro-[1,2,4...)
Show SMILES CC(=O)Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O
Show InChI InChI=1S/C17H13N5O2/c1-11(23)18-15-16-20-22(12-7-3-2-4-8-12)17(24)21(16)14-10-6-5-9-13(14)19-15/h2-10H,1H3,(H,18,19,23)
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 2.00E+3n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


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

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50189811
PNG
(CHEMBL210642 | N-(6-amino-2-(4-methoxyphenyl)-1-ox...)
Show SMILES COc1ccc(cc1)-n1nc2c(NC(C)=O)nc3c(N)cccc3n2c1=O
Show InChI InChI=1S/C18H16N6O3/c1-10(25)20-16-17-22-24(11-6-8-12(27-2)9-7-11)18(26)23(17)14-5-3-4-13(19)15(14)21-16/h3-9H,19H2,1-2H3,(H,20,21,25)
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 2.70E+3n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


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

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50189807
PNG
(4-benzamido-2-(4-methoxyphenyl)-1,2-dihydro-1,2,4-...)
Show SMILES COc1ccc(cc1)-n1nc2c(NC(=O)c3ccccc3)nc3ccccc3n2c1=O
Show InChI InChI=1S/C23H17N5O3/c1-31-17-13-11-16(12-14-17)28-23(30)27-19-10-6-5-9-18(19)24-20(21(27)26-28)25-22(29)15-7-3-2-4-8-15/h2-14H,1H3,(H,24,25,29)
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 3.59E+3n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


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

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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 3.80E+3n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in bovine brain membranes

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50189819
PNG
(6-amino-4-benzamido-1,2-dihydro-2-phenyl-1,2,4-tri...)
Show SMILES Nc1cccc2c1nc(NC(=O)c1ccccc1)c1nn(-c3ccccc3)c(=O)n21
Show InChI InChI=1S/C22H16N6O2/c23-16-12-7-13-17-18(16)24-19(25-21(29)14-8-3-1-4-9-14)20-26-28(22(30)27(17)20)15-10-5-2-6-11-15/h1-13H,23H2,(H,24,25,29)
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 4.85E+3n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


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

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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 6.20E+3n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


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

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50189809
PNG
(CHEMBL378514 | N-(6-amino-1-oxo-2-phenyl-1,2-dihyd...)
Show SMILES CC(=O)Nc1nc2c(N)cccc2n2c1nn(-c1ccccc1)c2=O
Show InChI InChI=1S/C17H14N6O2/c1-10(24)19-15-16-21-23(11-6-3-2-4-7-11)17(25)22(16)13-9-5-8-12(18)14(13)20-15/h2-9H,18H2,1H3,(H,19,20,24)
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 6.25E+3n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS 21680 from adenosine A2A receptor in bovine striatal membranes

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50189812
PNG
(CHEMBL212458 | N-benzoyl-N-[2-(4-methoxy-phenyl)-1...)
Show SMILES COc1ccc(cc1)-n1nc2c(nc3ccccc3n2c1=O)N(C(=O)c1ccccc1)C(=O)c1ccccc1
Show InChI InChI=1S/C30H21N5O4/c1-39-23-18-16-22(17-19-23)35-30(38)33-25-15-9-8-14-24(25)31-26(27(33)32-35)34(28(36)20-10-4-2-5-11-20)29(37)21-12-6-3-7-13-21/h2-19H,1H3
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 6.57E+3n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS 21680 from adenosine A2A receptor in bovine striatal membranes

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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 7.90E+3n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


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

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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 2.10E+4n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS 21680 from adenosine A2A receptor in bovine striatal membranes

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Adenosine receptor A3


(Homo sapiens (Human))		BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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 8.60E+4n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


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

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50189815
PNG
(6-amino-4-benzamido-1,2-dihydro-2-(4-methoxyphenyl...)
Show SMILES COc1ccc(cc1)-n1nc2c(NC(=O)c3ccccc3)nc3c(N)cccc3n2c1=O
Show InChI InChI=1S/C23H18N6O3/c1-32-16-12-10-15(11-13-16)29-23(31)28-18-9-5-8-17(24)19(18)25-20(21(28)27-29)26-22(30)14-6-3-2-4-7-14/h2-13H,24H2,1H3,(H,25,26,30)
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n/an/a 8.60n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity against Cl-IB-MECA inhibited cAMP level in CHO cells transfected with human A3 receptor

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50189818
PNG
(CHEMBL211449 | N-benzoyl-N-(1-oxo-2-phenyl-1,2-dih...)
Show SMILES O=C(N(C(=O)c1ccccc1)c1nc2ccccc2n2c1nn(-c1ccccc1)c2=O)c1ccccc1
Show InChI InChI=1S/C29H19N5O3/c35-27(20-12-4-1-5-13-20)33(28(36)21-14-6-2-7-15-21)25-26-31-34(22-16-8-3-9-17-22)29(37)32(26)24-19-11-10-18-23(24)30-25/h1-19H
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n/an/a 28.3n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity against Cl-IB-MECA inhibited cAMP level in CHO cells transfected with human A3 receptor

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50189812
PNG
(CHEMBL212458 | N-benzoyl-N-[2-(4-methoxy-phenyl)-1...)
Show SMILES COc1ccc(cc1)-n1nc2c(nc3ccccc3n2c1=O)N(C(=O)c1ccccc1)C(=O)c1ccccc1
Show InChI InChI=1S/C30H21N5O4/c1-39-23-18-16-22(17-19-23)35-30(38)33-25-15-9-8-14-24(25)31-26(27(33)32-35)34(28(36)20-10-4-2-5-11-20)29(37)21-12-6-3-7-13-21/h2-19H,1H3
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n/an/a 31.8n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity against Cl-IB-MECA inhibited cAMP level in CHO cells transfected with human A3 receptor

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50189805
PNG
(CHEMBL445067 | N-(2-(4-methoxyphenyl)-1-oxo-1,2-di...)
Show SMILES COc1ccc(cc1)-n1nc2c(NC(=O)C(c3ccccc3)c3ccccc3)nc3ccccc3n2c1=O
Show InChI InChI=1S/C30H23N5O3/c1-38-23-18-16-22(17-19-23)35-30(37)34-25-15-9-8-14-24(25)31-27(28(34)33-35)32-29(36)26(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-19,26H,1H3,(H,31,32,36)
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n/an/a 215n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity against Cl-IB-MECA inhibited cAMP level in CHO cells transfected with human A3 receptor

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50189815
PNG
(6-amino-4-benzamido-1,2-dihydro-2-(4-methoxyphenyl...)
Show SMILES COc1ccc(cc1)-n1nc2c(NC(=O)c3ccccc3)nc3c(N)cccc3n2c1=O
Show InChI InChI=1S/C23H18N6O3/c1-32-16-12-10-15(11-13-16)29-23(31)28-18-9-5-8-17(24)19(18)25-20(21(28)27-29)26-22(30)14-6-3-2-4-7-14/h2-13H,24H2,1H3,(H,25,26,30)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Inhibition of NECA-stimulated cAMP level in CHO cells transfected with human adenosine A2B receptor

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50189805
PNG
(CHEMBL445067 | N-(2-(4-methoxyphenyl)-1-oxo-1,2-di...)
Show SMILES COc1ccc(cc1)-n1nc2c(NC(=O)C(c3ccccc3)c3ccccc3)nc3ccccc3n2c1=O
Show InChI InChI=1S/C30H23N5O3/c1-38-23-18-16-22(17-19-23)35-30(37)34-25-15-9-8-14-24(25)31-27(28(34)33-35)32-29(36)26(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-19,26H,1H3,(H,31,32,36)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Inhibition of NECA-stimulated cAMP level in CHO cells transfected with human adenosine A2B receptor

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50189818
PNG
(CHEMBL211449 | N-benzoyl-N-(1-oxo-2-phenyl-1,2-dih...)
Show SMILES O=C(N(C(=O)c1ccccc1)c1nc2ccccc2n2c1nn(-c1ccccc1)c2=O)c1ccccc1
Show InChI InChI=1S/C29H19N5O3/c35-27(20-12-4-1-5-13-20)33(28(36)21-14-6-2-7-15-21)25-26-31-34(22-16-8-3-9-17-22)29(37)32(26)24-19-11-10-18-23(24)30-25/h1-19H
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n/an/a>1.00E+3n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Inhibition of NECA-stimulated cAMP level in CHO cells transfected with human adenosine A2B receptor

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50189812
PNG
(CHEMBL212458 | N-benzoyl-N-[2-(4-methoxy-phenyl)-1...)
Show SMILES COc1ccc(cc1)-n1nc2c(nc3ccccc3n2c1=O)N(C(=O)c1ccccc1)C(=O)c1ccccc1
Show InChI InChI=1S/C30H21N5O4/c1-39-23-18-16-22(17-19-23)35-30(38)33-25-15-9-8-14-24(25)31-26(27(33)32-35)34(28(36)20-10-4-2-5-11-20)29(37)21-12-6-3-7-13-21/h2-19H,1H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Inhibition of NECA-stimulated cAMP level in CHO cells transfected with human adenosine A2B receptor

J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%