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PubMed code 17300165

Compile data set for download or QSAR
Found 39 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


(Homo sapiens (Human))		BDBM50205280
PNG
(2,6-diphenyl-8-isobutyl-1-deazapurine | CHEMBL2214...)
Show SMILES CC(C)Cc1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H21N3/c1-15(2)13-20-24-21-18(16-9-5-3-6-10-16)14-19(23-22(21)25-20)17-11-7-4-8-12-17/h3-12,14-15H,13H2,1-2H3,(H,23,24,25)
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PubMed
 0.550n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


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

J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50205281
PNG
(2,6-diphenyl-8-isopropyl-1-deazapurine | CHEMBL221...)
Show SMILES CC(C)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C21H19N3/c1-14(2)20-23-19-17(15-9-5-3-6-10-15)13-18(22-21(19)24-20)16-11-7-4-8-12-16/h3-14H,1-2H3,(H,22,23,24)
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 0.610n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


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

J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50205286
PNG
(8-cyclopentyl-2,6-diphenyl-1-deazapurin | CHEMBL21...)
Show SMILES C1CCC(C1)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H21N3/c1-3-9-16(10-4-1)19-15-20(17-11-5-2-6-12-17)24-23-21(19)25-22(26-23)18-13-7-8-14-18/h1-6,9-12,15,18H,7-8,13-14H2,(H,24,25,26)
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 0.620n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


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

J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50205285
PNG
(2,6-diphenyl-8-(1-ethylpropyl)-1-deazapurine | CHE...)
Show SMILES CCC(CC)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H23N3/c1-3-16(4-2)22-25-21-19(17-11-7-5-8-12-17)15-20(24-23(21)26-22)18-13-9-6-10-14-18/h5-16H,3-4H2,1-2H3,(H,24,25,26)
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 0.870n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


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

J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50205283
PNG
(2,6-diphenyl-8-cyclohexyl-1-deazapurine | CHEMBL21...)
Show SMILES C1CCC(CC1)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H23N3/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)25-24-22(20)26-23(27-24)19-14-8-3-9-15-19/h1-2,4-7,10-13,16,19H,3,8-9,14-15H2,(H,25,26,27)
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 0.900n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


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

J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50205279
PNG
(2,6-diphenyl-1-deazapurine | CHEMBL220535)
Show SMILES c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C18H13N3/c1-3-7-13(8-4-1)15-11-16(14-9-5-2-6-10-14)21-18-17(15)19-12-20-18/h1-12H,(H,19,20,21)
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 1.20n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


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

J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50205284
PNG
(2,6-diphenyl-8-ethyl-1-deazapurine | CHEMBL222130)
Show SMILES CCc1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C20H17N3/c1-2-18-22-19-16(14-9-5-3-6-10-14)13-17(21-20(19)23-18)15-11-7-4-8-12-15/h3-13H,2H2,1H3,(H,21,22,23)
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 2.40n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


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

J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50205290
PNG
(2,6-dphenyl-8-propyl-1-deazapurine | CHEMBL376648)
Show SMILES CCCc1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C21H19N3/c1-2-9-19-23-20-17(15-10-5-3-6-11-15)14-18(22-21(20)24-19)16-12-7-4-8-13-16/h3-8,10-14H,2,9H2,1H3,(H,22,23,24)
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 2.5n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


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

J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50205289
PNG
(2,6-diphenyl-8-tButyl-1-deazapurine | CHEMBL220053)
Show SMILES CC(C)(C)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H21N3/c1-22(2,3)21-24-19-17(15-10-6-4-7-11-15)14-18(23-20(19)25-21)16-12-8-5-9-13-16/h4-14H,1-3H3,(H,23,24,25)
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 5.5n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


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

J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50205286
PNG
(8-cyclopentyl-2,6-diphenyl-1-deazapurin | CHEMBL21...)
Show SMILES C1CCC(C1)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H21N3/c1-3-9-16(10-4-1)19-15-20(17-11-5-2-6-12-17)24-23-21(19)25-22(26-23)18-13-7-8-14-18/h1-6,9-12,15,18H,7-8,13-14H2,(H,24,25,26)
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 6.90n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


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

J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50205281
PNG
(2,6-diphenyl-8-isopropyl-1-deazapurine | CHEMBL221...)
Show SMILES CC(C)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C21H19N3/c1-14(2)20-23-19-17(15-9-5-3-6-10-15)13-18(22-21(19)24-20)16-11-7-4-8-12-16/h3-14H,1-2H3,(H,22,23,24)
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 7.30n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


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

J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50205284
PNG
(2,6-diphenyl-8-ethyl-1-deazapurine | CHEMBL222130)
Show SMILES CCc1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C20H17N3/c1-2-18-22-19-16(14-9-5-3-6-10-14)13-17(21-20(19)23-18)15-11-7-4-8-12-15/h3-13H,2H2,1H3,(H,21,22,23)
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 8.5n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


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

J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50205282
PNG
(5,7-diphenyl-3H-imidazo[4,5-b]pyridin-2-ol | CHEMB...)
Show SMILES O=c1[nH]c2nc(cc(-c3ccccc3)c2[nH]1)-c1ccccc1
Show InChI InChI=1S/C18H13N3O/c22-18-20-16-14(12-7-3-1-4-8-12)11-15(19-17(16)21-18)13-9-5-2-6-10-13/h1-11H,(H2,19,20,21,22)
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 8.60n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


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

J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50205287
PNG
(2,6-diphenyl-8-methyl-1-deazapurine | CHEMBL220587)
Show SMILES Cc1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H15N3/c1-13-20-18-16(14-8-4-2-5-9-14)12-17(22-19(18)21-13)15-10-6-3-7-11-15/h2-12H,1H3,(H,20,21,22)
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 14n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


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

J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50205280
PNG
(2,6-diphenyl-8-isobutyl-1-deazapurine | CHEMBL2214...)
Show SMILES CC(C)Cc1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H21N3/c1-15(2)13-20-24-21-18(16-9-5-3-6-10-16)14-19(23-22(21)25-20)17-11-7-4-8-12-17/h3-12,14-15H,13H2,1-2H3,(H,23,24,25)
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 25n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


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

J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50205279
PNG
(2,6-diphenyl-1-deazapurine | CHEMBL220535)
Show SMILES c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C18H13N3/c1-3-7-13(8-4-1)15-11-16(14-9-5-2-6-10-14)21-18-17(15)19-12-20-18/h1-12H,(H,19,20,21)
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 39n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cells

J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50205287
PNG
(2,6-diphenyl-8-methyl-1-deazapurine | CHEMBL220587)
Show SMILES Cc1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H15N3/c1-13-20-18-16(14-8-4-2-5-9-14)12-17(22-19(18)21-13)15-10-6-3-7-11-15/h2-12H,1H3,(H,20,21,22)
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 61n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


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

J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50205290
PNG
(2,6-dphenyl-8-propyl-1-deazapurine | CHEMBL376648)
Show SMILES CCCc1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C21H19N3/c1-2-9-19-23-20-17(15-10-5-3-6-11-15)14-18(22-21(20)24-19)16-12-7-4-8-13-16/h3-8,10-14H,2,9H2,1H3,(H,22,23,24)
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 69n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


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

J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50205288
PNG
(2,6-dimethyl-8-ethyl-1-deazapurine | CHEMBL221579)
Show SMILES CCc1nc2nc(C)cc(C)c2[nH]1
Show InChI InChI=1S/C10H13N3/c1-4-8-12-9-6(2)5-7(3)11-10(9)13-8/h5H,4H2,1-3H3,(H,11,12,13)
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 101n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


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

J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50205290
PNG
(2,6-dphenyl-8-propyl-1-deazapurine | CHEMBL376648)
Show SMILES CCCc1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C21H19N3/c1-2-9-19-23-20-17(15-10-5-3-6-11-15)14-18(22-21(20)24-19)16-12-7-4-8-13-16/h3-8,10-14H,2,9H2,1H3,(H,22,23,24)
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 114n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cells

J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50205289
PNG
(2,6-diphenyl-8-tButyl-1-deazapurine | CHEMBL220053)
Show SMILES CC(C)(C)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H21N3/c1-22(2,3)21-24-19-17(15-10-6-4-7-11-15)14-18(23-20(19)25-21)16-12-8-5-9-13-16/h4-14H,1-3H3,(H,23,24,25)
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 115n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


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

J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50205285
PNG
(2,6-diphenyl-8-(1-ethylpropyl)-1-deazapurine | CHE...)
Show SMILES CCC(CC)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H23N3/c1-3-16(4-2)22-25-21-19(17-11-7-5-8-12-17)15-20(24-23(21)26-22)18-13-9-6-10-14-18/h5-16H,3-4H2,1-2H3,(H,24,25,26)
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 171n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


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

J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50205284
PNG
(2,6-diphenyl-8-ethyl-1-deazapurine | CHEMBL222130)
Show SMILES CCc1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C20H17N3/c1-2-18-22-19-16(14-9-5-3-6-10-14)13-17(21-20(19)23-18)15-11-7-4-8-12-15/h3-13H,2H2,1H3,(H,21,22,23)
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 177n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cells

J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50205279
PNG
(2,6-diphenyl-1-deazapurine | CHEMBL220535)
Show SMILES c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C18H13N3/c1-3-7-13(8-4-1)15-11-16(14-9-5-2-6-10-14)21-18-17(15)19-12-20-18/h1-12H,(H,19,20,21)
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 180n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


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

J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50205280
PNG
(2,6-diphenyl-8-isobutyl-1-deazapurine | CHEMBL2214...)
Show SMILES CC(C)Cc1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H21N3/c1-15(2)13-20-24-21-18(16-9-5-3-6-10-16)14-19(23-22(21)25-20)17-11-7-4-8-12-17/h3-12,14-15H,13H2,1-2H3,(H,23,24,25)
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 189n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cells

J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50205282
PNG
(5,7-diphenyl-3H-imidazo[4,5-b]pyridin-2-ol | CHEMB...)
Show SMILES O=c1[nH]c2nc(cc(-c3ccccc3)c2[nH]1)-c1ccccc1
Show InChI InChI=1S/C18H13N3O/c22-18-20-16-14(12-7-3-1-4-8-12)11-15(19-17(16)21-18)13-9-5-2-6-10-13/h1-11H,(H2,19,20,21,22)
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 192n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cells

J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50205283
PNG
(2,6-diphenyl-8-cyclohexyl-1-deazapurine | CHEMBL21...)
Show SMILES C1CCC(CC1)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H23N3/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)25-24-22(20)26-23(27-24)19-14-8-3-9-15-19/h1-2,4-7,10-13,16,19H,3,8-9,14-15H2,(H,25,26,27)
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 194n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cells

J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50205281
PNG
(2,6-diphenyl-8-isopropyl-1-deazapurine | CHEMBL221...)
Show SMILES CC(C)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C21H19N3/c1-14(2)20-23-19-17(15-9-5-3-6-10-15)13-18(22-21(19)24-20)16-11-7-4-8-12-16/h3-14H,1-2H3,(H,22,23,24)
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 230n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cells

J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50205285
PNG
(2,6-diphenyl-8-(1-ethylpropyl)-1-deazapurine | CHE...)
Show SMILES CCC(CC)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H23N3/c1-3-16(4-2)22-25-21-19(17-11-7-5-8-12-17)15-20(24-23(21)26-22)18-13-9-6-10-14-18/h5-16H,3-4H2,1-2H3,(H,24,25,26)
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 247n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cells

J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50205282
PNG
(5,7-diphenyl-3H-imidazo[4,5-b]pyridin-2-ol | CHEMB...)
Show SMILES O=c1[nH]c2nc(cc(-c3ccccc3)c2[nH]1)-c1ccccc1
Show InChI InChI=1S/C18H13N3O/c22-18-20-16-14(12-7-3-1-4-8-12)11-15(19-17(16)21-18)13-9-5-2-6-10-13/h1-11H,(H2,19,20,21,22)
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 262n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


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

J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50205280
PNG
(2,6-diphenyl-8-isobutyl-1-deazapurine | CHEMBL2214...)
Show SMILES CC(C)Cc1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H21N3/c1-15(2)13-20-24-21-18(16-9-5-3-6-10-16)14-19(23-22(21)25-20)17-11-7-4-8-12-17/h3-12,14-15H,13H2,1-2H3,(H,23,24,25)
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 300n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]MRS1754 from human adenosine A2B receptor

J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50205286
PNG
(8-cyclopentyl-2,6-diphenyl-1-deazapurin | CHEMBL21...)
Show SMILES C1CCC(C1)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H21N3/c1-3-9-16(10-4-1)19-15-20(17-11-5-2-6-12-17)24-23-21(19)25-22(26-23)18-13-7-8-14-18/h1-6,9-12,15,18H,7-8,13-14H2,(H,24,25,26)
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 300n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]MRS1754 from human adenosine A2B receptor

J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50205285
PNG
(2,6-diphenyl-8-(1-ethylpropyl)-1-deazapurine | CHE...)
Show SMILES CCC(CC)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H23N3/c1-3-16(4-2)22-25-21-19(17-11-7-5-8-12-17)15-20(24-23(21)26-22)18-13-9-6-10-14-18/h5-16H,3-4H2,1-2H3,(H,24,25,26)
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 300n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]MRS1754 from human adenosine A2B receptor

J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50205283
PNG
(2,6-diphenyl-8-cyclohexyl-1-deazapurine | CHEMBL21...)
Show SMILES C1CCC(CC1)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H23N3/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)25-24-22(20)26-23(27-24)19-14-8-3-9-15-19/h1-2,4-7,10-13,16,19H,3,8-9,14-15H2,(H,25,26,27)
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 300n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]MRS1754 from human adenosine A2B receptor

J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50205281
PNG
(2,6-diphenyl-8-isopropyl-1-deazapurine | CHEMBL221...)
Show SMILES CC(C)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C21H19N3/c1-14(2)20-23-19-17(15-9-5-3-6-10-15)13-18(22-21(19)24-20)16-11-7-4-8-12-16/h3-14H,1-2H3,(H,22,23,24)
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 300n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]MRS1754 from human adenosine A2B receptor

J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50205287
PNG
(2,6-diphenyl-8-methyl-1-deazapurine | CHEMBL220587)
Show SMILES Cc1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H15N3/c1-13-20-18-16(14-8-4-2-5-9-14)12-17(22-19(18)21-13)15-10-6-3-7-11-15/h2-12H,1H3,(H,20,21,22)
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 375n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cells

J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50205283
PNG
(2,6-diphenyl-8-cyclohexyl-1-deazapurine | CHEMBL21...)
Show SMILES C1CCC(CC1)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H23N3/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)25-24-22(20)26-23(27-24)19-14-8-3-9-15-19/h1-2,4-7,10-13,16,19H,3,8-9,14-15H2,(H,25,26,27)
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 637n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


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

J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50205289
PNG
(2,6-diphenyl-8-tButyl-1-deazapurine | CHEMBL220053)
Show SMILES CC(C)(C)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H21N3/c1-22(2,3)21-24-19-17(15-10-6-4-7-11-15)14-18(23-20(19)25-21)16-12-8-5-9-13-16/h4-14H,1-3H3,(H,23,24,25)
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 1.06E+3n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cells

J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50205283
PNG
(2,6-diphenyl-8-cyclohexyl-1-deazapurine | CHEMBL21...)
Show SMILES C1CCC(CC1)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H23N3/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)25-24-22(20)26-23(27-24)19-14-8-3-9-15-19/h1-2,4-7,10-13,16,19H,3,8-9,14-15H2,(H,25,26,27)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Activity at human adenosine A1 receptor in CHO cells assessed as effect on CPA induced inhibition of forskolin-stimulated cAMP production

J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%