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PubMed code 16279775

Compile data set for download or QSAR
Found 61 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 A1 receptor


(BOVINE)
BDBM50176833
PNG
(CHEMBL224545 | methyl 4-(4-methoxyphenethylamino)-...)
Show SMILES COC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(OC)cc1
Show InChI InChI=1S/C25H25ClN4O3/c1-32-19-10-8-17(9-11-19)12-13-27-23-20-15-29-30(16-22(26)18-6-4-3-5-7-18)24(20)28-14-21(23)25(31)33-2/h3-11,14-15,22H,12-13,16H2,1-2H3,(H,27,28)
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6n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176833
PNG
(CHEMBL224545 | methyl 4-(4-methoxyphenethylamino)-...)
Show SMILES COC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(OC)cc1
Show InChI InChI=1S/C25H25ClN4O3/c1-32-19-10-8-17(9-11-19)12-13-27-23-20-15-29-30(16-22(26)18-6-4-3-5-7-18)24(20)28-14-21(23)25(31)33-2/h3-11,14-15,22H,12-13,16H2,1-2H3,(H,27,28)
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6.30n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes in absence of GTP


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176822
PNG
(CHEMBL375154 | isopropyl 4-(4-methoxyphenethylamin...)
Show SMILES COc1ccc(CCNc2c(cnc3n(CC(Cl)c4ccccc4)ncc23)C(=O)OC(C)C)cc1
Show InChI InChI=1S/C27H29ClN4O3/c1-18(2)35-27(33)23-15-30-26-22(16-31-32(26)17-24(28)20-7-5-4-6-8-20)25(23)29-14-13-19-9-11-21(34-3)12-10-19/h4-12,15-16,18,24H,13-14,17H2,1-3H3,(H,29,30)
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7n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176822
PNG
(CHEMBL375154 | isopropyl 4-(4-methoxyphenethylamin...)
Show SMILES COc1ccc(CCNc2c(cnc3n(CC(Cl)c4ccccc4)ncc23)C(=O)OC(C)C)cc1
Show InChI InChI=1S/C27H29ClN4O3/c1-18(2)35-27(33)23-15-30-26-22(16-31-32(26)17-24(28)20-7-5-4-6-8-20)25(23)29-14-13-19-9-11-21(34-3)12-10-19/h4-12,15-16,18,24H,13-14,17H2,1-3H3,(H,29,30)
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7.20n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes in absence of GTP


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176833
PNG
(CHEMBL224545 | methyl 4-(4-methoxyphenethylamino)-...)
Show SMILES COC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(OC)cc1
Show InChI InChI=1S/C25H25ClN4O3/c1-32-19-10-8-17(9-11-19)12-13-27-23-20-15-29-30(16-22(26)18-6-4-3-5-7-18)24(20)28-14-21(23)25(31)33-2/h3-11,14-15,22H,12-13,16H2,1-2H3,(H,27,28)
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7.30n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes in presence of GTP


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176822
PNG
(CHEMBL375154 | isopropyl 4-(4-methoxyphenethylamin...)
Show SMILES COc1ccc(CCNc2c(cnc3n(CC(Cl)c4ccccc4)ncc23)C(=O)OC(C)C)cc1
Show InChI InChI=1S/C27H29ClN4O3/c1-18(2)35-27(33)23-15-30-26-22(16-31-32(26)17-24(28)20-7-5-4-6-8-20)25(23)29-14-13-19-9-11-21(34-3)12-10-19/h4-12,15-16,18,24H,13-14,17H2,1-3H3,(H,29,30)
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7.70n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes in presence of GTP


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176835
PNG
(CHEMBL223871 | ethyl 4-(4-methoxyphenethylamino)-1...)
Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(OC)cc1
Show InChI InChI=1S/C26H27ClN4O3/c1-3-34-26(32)22-15-29-25-21(16-30-31(25)17-23(27)19-7-5-4-6-8-19)24(22)28-14-13-18-9-11-20(33-2)12-10-18/h4-12,15-16,23H,3,13-14,17H2,1-2H3,(H,28,29)
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10n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176815
PNG
(CHEMBL225398 | ethyl 4-(4-fluorophenethylamino)-1-...)
Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(F)cc1
Show InChI InChI=1S/C25H24ClFN4O2/c1-2-33-25(32)21-14-29-24-20(23(21)28-13-12-17-8-10-19(27)11-9-17)15-30-31(24)16-22(26)18-6-4-3-5-7-18/h3-11,14-15,22H,2,12-13,16H2,1H3,(H,28,29)
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12n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176838
PNG
(1-(2-chloro-2-phenyl-ethyl)-4-(2-p-tolyl-ethylamin...)
Show SMILES COC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(C)cc1
Show InChI InChI=1S/C25H25ClN4O2/c1-17-8-10-18(11-9-17)12-13-27-23-20-15-29-30(16-22(26)19-6-4-3-5-7-19)24(20)28-14-21(23)25(31)32-2/h3-11,14-15,22H,12-13,16H2,1-2H3,(H,27,28)
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15n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176842
PNG
(CHEMBL224620 | ethyl 4-(2-fluorophenethylamino)-1-...)
Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1F
Show InChI InChI=1S/C25H24ClFN4O2/c1-2-33-25(32)20-14-29-24-19(23(20)28-13-12-18-10-6-7-11-22(18)27)15-30-31(24)16-21(26)17-8-4-3-5-9-17/h3-11,14-15,21H,2,12-13,16H2,1H3,(H,28,29)
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16n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50176815
PNG
(CHEMBL225398 | ethyl 4-(4-fluorophenethylamino)-1-...)
Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(F)cc1
Show InChI InChI=1S/C25H24ClFN4O2/c1-2-33-25(32)21-14-29-24-20(23(21)28-13-12-17-8-10-19(27)11-9-17)15-30-31(24)16-22(26)18-6-4-3-5-7-18/h3-11,14-15,22H,2,12-13,16H2,1H3,(H,28,29)
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16n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50176822
PNG
(CHEMBL375154 | isopropyl 4-(4-methoxyphenethylamin...)
Show SMILES COc1ccc(CCNc2c(cnc3n(CC(Cl)c4ccccc4)ncc23)C(=O)OC(C)C)cc1
Show InChI InChI=1S/C27H29ClN4O3/c1-18(2)35-27(33)23-15-30-26-22(16-31-32(26)17-24(28)20-7-5-4-6-8-20)25(23)29-14-13-19-9-11-21(34-3)12-10-19/h4-12,15-16,18,24H,13-14,17H2,1-3H3,(H,29,30)
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17n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176832
PNG
(CHEMBL224909 | ethyl 4-(4-chlorophenethylamino)-1-...)
Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(Cl)cc1
Show InChI InChI=1S/C25H24Cl2N4O2/c1-2-33-25(32)21-14-29-24-20(23(21)28-13-12-17-8-10-19(26)11-9-17)15-30-31(24)16-22(27)18-6-4-3-5-7-18/h3-11,14-15,22H,2,12-13,16H2,1H3,(H,28,29)
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19n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176855
PNG
(1-(2-chloro-2-phenyl-ethyl)-4-(2-p-tolyl-ethylamin...)
Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(C)cc1
Show InChI InChI=1S/C26H27ClN4O2/c1-3-33-26(32)22-15-29-25-21(24(22)28-14-13-19-11-9-18(2)10-12-19)16-30-31(25)17-23(27)20-7-5-4-6-8-20/h4-12,15-16,23H,3,13-14,17H2,1-2H3,(H,28,29)
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22n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176844
PNG
(CHEMBL389405 | isopropyl 1-(2-chloro-2-phenylethyl...)
Show SMILES CCCNc1c(cnc2n(CC(Cl)c3ccccc3)ncc12)C(=O)OC(C)C
Show InChI InChI=1S/C21H25ClN4O2/c1-4-10-23-19-16-12-25-26(13-18(22)15-8-6-5-7-9-15)20(16)24-11-17(19)21(27)28-14(2)3/h5-9,11-12,14,18H,4,10,13H2,1-3H3,(H,23,24)
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24n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50176835
PNG
(CHEMBL223871 | ethyl 4-(4-methoxyphenethylamino)-1...)
Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(OC)cc1
Show InChI InChI=1S/C26H27ClN4O3/c1-3-34-26(32)22-15-29-25-21(16-30-31(25)17-23(27)19-7-5-4-6-8-19)24(22)28-14-13-18-9-11-20(33-2)12-10-18/h4-12,15-16,23H,3,13-14,17H2,1-2H3,(H,28,29)
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25n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50176842
PNG
(CHEMBL224620 | ethyl 4-(2-fluorophenethylamino)-1-...)
Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1F
Show InChI InChI=1S/C25H24ClFN4O2/c1-2-33-25(32)20-14-29-24-19(23(20)28-13-12-18-10-6-7-11-22(18)27)15-30-31(24)16-21(26)17-8-4-3-5-9-17/h3-11,14-15,21H,2,12-13,16H2,1H3,(H,28,29)
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29n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176849
PNG
(CHEMBL427255 | isopropyl 1-(2-chloro-2-phenylethyl...)
Show SMILES CC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1
Show InChI InChI=1S/C26H27ClN4O2/c1-18(2)33-26(32)22-15-29-25-21(24(22)28-14-13-19-9-5-3-6-10-19)16-30-31(25)17-23(27)20-11-7-4-8-12-20/h3-12,15-16,18,23H,13-14,17H2,1-2H3,(H,28,29)
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31n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176828
PNG
(CHEMBL224097 | ethyl 4-(3-fluorophenethylamino)-1-...)
Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1cccc(F)c1
Show InChI InChI=1S/C25H24ClFN4O2/c1-2-33-25(32)21-14-29-24-20(23(21)28-12-11-17-7-6-10-19(27)13-17)15-30-31(24)16-22(26)18-8-4-3-5-9-18/h3-10,13-15,22H,2,11-12,16H2,1H3,(H,28,29)
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33n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176840
PNG
(CHEMBL224083 | isopropyl 1-(2-chloro-2-phenylethyl...)
Show SMILES CC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NC1CC1
Show InChI InChI=1S/C21H23ClN4O2/c1-13(2)28-21(27)17-10-23-20-16(19(17)25-15-8-9-15)11-24-26(20)12-18(22)14-6-4-3-5-7-14/h3-7,10-11,13,15,18H,8-9,12H2,1-2H3,(H,23,25)
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36n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176825
PNG
(CHEMBL389060 | isopropyl 4-(4-chlorophenethylamino...)
Show SMILES CC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(Cl)cc1
Show InChI InChI=1S/C26H26Cl2N4O2/c1-17(2)34-26(33)22-14-30-25-21(24(22)29-13-12-18-8-10-20(27)11-9-18)15-31-32(25)16-23(28)19-6-4-3-5-7-19/h3-11,14-15,17,23H,12-13,16H2,1-2H3,(H,29,30)
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41n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176839
PNG
(CHEMBL223821 | isopropyl 4-(2-chlorophenethylamino...)
Show SMILES CC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1Cl
Show InChI InChI=1S/C26H26Cl2N4O2/c1-17(2)34-26(33)21-14-30-25-20(24(21)29-13-12-19-10-6-7-11-22(19)27)15-31-32(25)16-23(28)18-8-4-3-5-9-18/h3-11,14-15,17,23H,12-13,16H2,1-2H3,(H,29,30)
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44n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176848
PNG
(1-(2-chloro-2-phenyl-ethyl)-4-(2-p-tolyl-ethylamin...)
Show SMILES CC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(C)cc1
Show InChI InChI=1S/C27H29ClN4O2/c1-18(2)34-27(33)23-15-30-26-22(25(23)29-14-13-20-11-9-19(3)10-12-20)16-31-32(26)17-24(28)21-7-5-4-6-8-21/h4-12,15-16,18,24H,13-14,17H2,1-3H3,(H,29,30)
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48n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176834
PNG
(CHEMBL224307 | cyclopropylmethyl 1-(2-chloro-2-phe...)
Show SMILES ClC(Cn1ncc2c(NCCc3ccccc3)c(cnc12)C(=O)OCC1CC1)c1ccccc1
Show InChI InChI=1S/C27H27ClN4O2/c28-24(21-9-5-2-6-10-21)17-32-26-22(16-31-32)25(29-14-13-19-7-3-1-4-8-19)23(15-30-26)27(33)34-18-20-11-12-20/h1-10,15-16,20,24H,11-14,17-18H2,(H,29,30)
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48n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176850
PNG
(CHEMBL223450 | sec-butyl 1-(2-chloro-2-phenylethyl...)
Show SMILES CCCNc1c(cnc2n(CC(Cl)c3ccccc3)ncc12)C(=O)OC(C)CC
Show InChI InChI=1S/C22H27ClN4O2/c1-4-11-24-20-17-13-26-27(14-19(23)16-9-7-6-8-10-16)21(17)25-12-18(20)22(28)29-15(3)5-2/h6-10,12-13,15,19H,4-5,11,14H2,1-3H3,(H,24,25)
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51n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176843
PNG
(CHEMBL374620 | sec-butyl 1-(2-chloro-2-phenylethyl...)
Show SMILES CCC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1
Show InChI InChI=1S/C27H29ClN4O2/c1-3-19(2)34-27(33)23-16-30-26-22(25(23)29-15-14-20-10-6-4-7-11-20)17-31-32(26)18-24(28)21-12-8-5-9-13-21/h4-13,16-17,19,24H,3,14-15,18H2,1-2H3,(H,29,30)
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62n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176852
PNG
(1-(2-chloro-2-phenyl-ethyl)-4-(2-p-tolyl-ethylamin...)
Show SMILES Cc1ccc(CCNc2c(cnc3n(CC(Cl)c4ccccc4)ncc23)C(=O)OCC2CC2)cc1
Show InChI InChI=1S/C28H29ClN4O2/c1-19-7-9-20(10-8-19)13-14-30-26-23-16-32-33(17-25(29)22-5-3-2-4-6-22)27(23)31-15-24(26)28(34)35-18-21-11-12-21/h2-10,15-16,21,25H,11-14,17-18H2,1H3,(H,30,31)
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63n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176847
PNG
(CHEMBL224313 | ethyl 4-(2-chlorophenethylamino)-1-...)
Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1Cl
Show InChI InChI=1S/C25H24Cl2N4O2/c1-2-33-25(32)20-14-29-24-19(23(20)28-13-12-18-10-6-7-11-21(18)26)15-30-31(24)16-22(27)17-8-4-3-5-9-17/h3-11,14-15,22H,2,12-13,16H2,1H3,(H,28,29)
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76n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176830
PNG
(CHEMBL391004 | methyl 1-(2-chloro-2-phenylethyl)-4...)
Show SMILES COC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1
Show InChI InChI=1S/C24H23ClN4O2/c1-31-24(30)20-14-27-23-19(22(20)26-13-12-17-8-4-2-5-9-17)15-28-29(23)16-21(25)18-10-6-3-7-11-18/h2-11,14-15,21H,12-13,16H2,1H3,(H,26,27)
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88n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50176833
PNG
(CHEMBL224545 | methyl 4-(4-methoxyphenethylamino)-...)
Show SMILES COC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(OC)cc1
Show InChI InChI=1S/C25H25ClN4O3/c1-32-19-10-8-17(9-11-19)12-13-27-23-20-15-29-30(16-22(26)18-6-4-3-5-7-18)24(20)28-14-21(23)25(31)33-2/h3-11,14-15,22H,12-13,16H2,1-2H3,(H,27,28)
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94n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176845
PNG
(CHEMBL224619 | isopropyl 4-(3-chlorophenethylamino...)
Show SMILES CC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1cccc(Cl)c1
Show InChI InChI=1S/C26H26Cl2N4O2/c1-17(2)34-26(33)22-14-30-25-21(24(22)29-12-11-18-7-6-10-20(27)13-18)15-31-32(25)16-23(28)19-8-4-3-5-9-19/h3-10,13-15,17,23H,11-12,16H2,1-2H3,(H,29,30)
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100n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176820
PNG
(4-butyl-5-(4-cyclopropylbut-1-en-2-yl)-1-(2-phenyl...)
Show SMILES CCCNc1c(cnc2n(CC(Cl)c3ccccc3)ncc12)C(=O)OCC1CC1
Show InChI InChI=1S/C22H25ClN4O2/c1-2-10-24-20-17-12-26-27(13-19(23)16-6-4-3-5-7-16)21(17)25-11-18(20)22(28)29-14-15-8-9-15/h3-7,11-12,15,19H,2,8-10,13-14H2,1H3,(H,24,25)
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109n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176826
PNG
(CHEMBL390096 | propyl 1-(2-chloro-2-phenylethyl)-4...)
Show SMILES CCCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1
Show InChI InChI=1S/C26H27ClN4O2/c1-2-15-33-26(32)22-16-29-25-21(24(22)28-14-13-19-9-5-3-6-10-19)17-30-31(25)18-23(27)20-11-7-4-8-12-20/h3-12,16-17,23H,2,13-15,18H2,1H3,(H,28,29)
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130n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176819
PNG
(CHEMBL225026 | methyl 4-(benzylamino)-1-(2-chloro-...)
Show SMILES COC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCc1ccccc1
Show InChI InChI=1S/C23H21ClN4O2/c1-30-23(29)19-13-26-22-18(21(19)25-12-16-8-4-2-5-9-16)14-27-28(22)15-20(24)17-10-6-3-7-11-17/h2-11,13-14,20H,12,15H2,1H3,(H,25,26)
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141n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176818
PNG
(CHEMBL223451 | propyl 1-(2-chloro-2-phenylethyl)-4...)
Show SMILES CCCNc1c(cnc2n(CC(Cl)c3ccccc3)ncc12)C(=O)OCCC
Show InChI InChI=1S/C21H25ClN4O2/c1-3-10-23-19-16-13-25-26(14-18(22)15-8-6-5-7-9-15)20(16)24-12-17(19)21(27)28-11-4-2/h5-9,12-13,18H,3-4,10-11,14H2,1-2H3,(H,23,24)
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145n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50176838
PNG
(1-(2-chloro-2-phenyl-ethyl)-4-(2-p-tolyl-ethylamin...)
Show SMILES COC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(C)cc1
Show InChI InChI=1S/C25H25ClN4O2/c1-17-8-10-18(11-9-17)12-13-27-23-20-15-29-30(16-22(26)19-6-4-3-5-7-19)24(20)28-14-21(23)25(31)32-2/h3-11,14-15,22H,12-13,16H2,1-2H3,(H,27,28)
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148n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50176832
PNG
(CHEMBL224909 | ethyl 4-(4-chlorophenethylamino)-1-...)
Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(Cl)cc1
Show InChI InChI=1S/C25H24Cl2N4O2/c1-2-33-25(32)21-14-29-24-20(23(21)28-13-12-17-8-10-19(26)11-9-17)15-30-31(24)16-22(27)18-6-4-3-5-7-18/h3-11,14-15,22H,2,12-13,16H2,1H3,(H,28,29)
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153n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176831
PNG
(CHEMBL376193 | propyl 1-(2-chloro-2-phenylethyl)-4...)
Show SMILES CCCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NC1CC1
Show InChI InChI=1S/C21H23ClN4O2/c1-2-10-28-21(27)17-11-23-20-16(19(17)25-15-8-9-15)12-24-26(20)13-18(22)14-6-4-3-5-7-14/h3-7,11-12,15,18H,2,8-10,13H2,1H3,(H,23,25)
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156n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176836
PNG
(CHEMBL225341 | methyl 1-(2-chloro-2-phenylethyl)-4...)
Show SMILES CCCNc1c(cnc2n(CC(Cl)c3ccccc3)ncc12)C(=O)OC
Show InChI InChI=1S/C19H21ClN4O2/c1-3-9-21-17-14-11-23-24(12-16(20)13-7-5-4-6-8-13)18(14)22-10-15(17)19(25)26-2/h4-8,10-11,16H,3,9,12H2,1-2H3,(H,21,22)
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170n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176841
PNG
(CHEMBL389644 | ethyl 4-(3-chlorophenethylamino)-1-...)
Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1cccc(Cl)c1
Show InChI InChI=1S/C25H24Cl2N4O2/c1-2-33-25(32)21-14-29-24-20(23(21)28-12-11-17-7-6-10-19(26)13-17)15-30-31(24)16-22(27)18-8-4-3-5-9-18/h3-10,13-15,22H,2,11-12,16H2,1H3,(H,28,29)
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178n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176853
PNG
(CHEMBL224852 | sec-butyl 1-(2-chloro-2-phenylethyl...)
Show SMILES CCC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NC1CC1
Show InChI InChI=1S/C22H25ClN4O2/c1-3-14(2)29-22(28)18-11-24-21-17(20(18)26-16-9-10-16)12-25-27(21)13-19(23)15-7-5-4-6-8-15/h4-8,11-12,14,16,19H,3,9-10,13H2,1-2H3,(H,24,26)
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197n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176816
PNG
(CHEMBL224669 | methyl 1-(2-chloro-2-phenylethyl)-4...)
Show SMILES COC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NC1CC1
Show InChI InChI=1S/C19H19ClN4O2/c1-26-19(25)15-9-21-18-14(17(15)23-13-7-8-13)10-22-24(18)11-16(20)12-5-3-2-4-6-12/h2-6,9-10,13,16H,7-8,11H2,1H3,(H,21,23)
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251n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176851
PNG
(CHEMBL224098 | isopropyl 4-(benzylamino)-1-(2-chlo...)
Show SMILES CC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCc1ccccc1
Show InChI InChI=1S/C25H25ClN4O2/c1-17(2)32-25(31)21-14-28-24-20(23(21)27-13-18-9-5-3-6-10-18)15-29-30(24)16-22(26)19-11-7-4-8-12-19/h3-12,14-15,17,22H,13,16H2,1-2H3,(H,27,28)
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559n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176827
PNG
(CHEMBL223229 | butyl 1-(2-chloro-2-phenylethyl)-4-...)
Show SMILES CCCCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NC1CC1
Show InChI InChI=1S/C22H25ClN4O2/c1-2-3-11-29-22(28)18-12-24-21-17(20(18)26-16-9-10-16)13-25-27(21)14-19(23)15-7-5-4-6-8-15/h4-8,12-13,16,19H,2-3,9-11,14H2,1H3,(H,24,26)
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895n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176846
PNG
(CHEMBL376747 | butyl 1-(2-chloro-2-phenylethyl)-4-...)
Show SMILES CCCCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCC
Show InChI InChI=1S/C22H27ClN4O2/c1-3-5-12-29-22(28)18-13-25-21-17(20(18)24-11-4-2)14-26-27(21)15-19(23)16-9-7-6-8-10-16/h6-10,13-14,19H,3-5,11-12,15H2,1-2H3,(H,24,25)
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959n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176823
PNG
(CHEMBL224621 | isopropyl 1-(2-chloro-2-phenylethyl...)
Show SMILES CC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1N1CCCC1
Show InChI InChI=1S/C22H25ClN4O2/c1-15(2)29-22(28)18-12-24-21-17(20(18)26-10-6-7-11-26)13-25-27(21)14-19(23)16-8-4-3-5-9-16/h3-5,8-9,12-13,15,19H,6-7,10-11,14H2,1-2H3
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1.08E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50176830
PNG
(CHEMBL391004 | methyl 1-(2-chloro-2-phenylethyl)-4...)
Show SMILES COC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1
Show InChI InChI=1S/C24H23ClN4O2/c1-31-24(30)20-14-27-23-19(22(20)26-13-12-17-8-4-2-5-9-17)15-28-29(23)16-21(25)18-10-6-3-7-11-18/h2-11,14-15,21H,12-13,16H2,1H3,(H,26,27)
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1.23E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from adenosine A2A receptor in bovine cerebral cortical membranes


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50176826
PNG
(CHEMBL390096 | propyl 1-(2-chloro-2-phenylethyl)-4...)
Show SMILES CCCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1
Show InChI InChI=1S/C26H27ClN4O2/c1-2-15-33-26(32)22-16-29-25-21(24(22)28-14-13-19-9-5-3-6-10-19)17-30-31(25)18-23(27)20-11-7-4-8-12-20/h3-12,16-17,23H,2,13-15,18H2,1H3,(H,28,29)
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1.36E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from adenosine A2A receptor in bovine cerebral cortical membranes


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176854
PNG
(CHEMBL224179 | propyl 4-(benzylamino)-1-(2-chloro-...)
Show SMILES CCCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCc1ccccc1
Show InChI InChI=1S/C25H25ClN4O2/c1-2-13-32-25(31)21-15-28-24-20(23(21)27-14-18-9-5-3-6-10-18)16-29-30(24)17-22(26)19-11-7-4-8-12-19/h3-12,15-16,22H,2,13-14,17H2,1H3,(H,27,28)
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1.37E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50176818
PNG
(CHEMBL223451 | propyl 1-(2-chloro-2-phenylethyl)-4...)
Show SMILES CCCNc1c(cnc2n(CC(Cl)c3ccccc3)ncc12)C(=O)OCCC
Show InChI InChI=1S/C21H25ClN4O2/c1-3-10-23-19-16-13-25-26(14-18(22)15-8-6-5-7-9-15)20(16)24-12-17(19)21(27)28-11-4-2/h5-9,12-13,18H,3-4,10-11,14H2,1-2H3,(H,23,24)
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1.39E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from adenosine A2A receptor in bovine cerebral cortical membranes


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50176849
PNG
(CHEMBL427255 | isopropyl 1-(2-chloro-2-phenylethyl...)
Show SMILES CC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1
Show InChI InChI=1S/C26H27ClN4O2/c1-18(2)33-26(32)22-15-29-25-21(24(22)28-14-13-19-9-5-3-6-10-19)16-30-31(25)17-23(27)20-11-7-4-8-12-20/h3-12,15-16,18,23H,13-14,17H2,1-2H3,(H,28,29)
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1.52E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from adenosine A2A receptor in bovine cerebral cortical membranes


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50176831
PNG
(CHEMBL376193 | propyl 1-(2-chloro-2-phenylethyl)-4...)
Show SMILES CCCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NC1CC1
Show InChI InChI=1S/C21H23ClN4O2/c1-2-10-28-21(27)17-11-23-20-16(19(17)25-15-8-9-15)12-24-26(20)13-18(22)14-6-4-3-5-7-14/h3-7,11-12,15,18H,2,8-10,13H2,1H3,(H,23,25)
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1.56E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from adenosine A2A receptor in bovine cerebral cortical membranes


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176817
PNG
(CHEMBL388388 | isopropyl 1-(2-chloro-2-phenylethyl...)
Show SMILES CC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1N1CCOCC1
Show InChI InChI=1S/C22H25ClN4O3/c1-15(2)30-22(28)18-12-24-21-17(20(18)26-8-10-29-11-9-26)13-25-27(21)14-19(23)16-6-4-3-5-7-16/h3-7,12-13,15,19H,8-11,14H2,1-2H3
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1.82E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176829
PNG
(CHEMBL225523 | butyl 1-(2-chloro-2-phenylethyl)-4-...)
Show SMILES CCCCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1N1CCCC1
Show InChI InChI=1S/C23H27ClN4O2/c1-2-3-13-30-23(29)19-14-25-22-18(21(19)27-11-7-8-12-27)15-26-28(22)16-20(24)17-9-5-4-6-10-17/h4-6,9-10,14-15,20H,2-3,7-8,11-13,16H2,1H3
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1.89E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50176821
PNG
(CHEMBL223340 | propyl 1-(2-chloro-2-phenylethyl)-4...)
Show SMILES CCCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1N1CCCC1
Show InChI InChI=1S/C22H25ClN4O2/c1-2-12-29-22(28)18-13-24-21-17(20(18)26-10-6-7-11-26)14-25-27(21)15-19(23)16-8-4-3-5-9-16/h3-5,8-9,13-14,19H,2,6-7,10-12,15H2,1H3
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1.99E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from adenosine A2A receptor in bovine cerebral cortical membranes


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176837
PNG
(CHEMBL224125 | propyl 1-(2-chloro-2-phenylethyl)-4...)
Show SMILES CCCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1N1CCOCC1
Show InChI InChI=1S/C22H25ClN4O3/c1-2-10-30-22(28)18-13-24-21-17(20(18)26-8-11-29-12-9-26)14-25-27(21)15-19(23)16-6-4-3-5-7-16/h3-7,13-14,19H,2,8-12,15H2,1H3
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2.15E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176821
PNG
(CHEMBL223340 | propyl 1-(2-chloro-2-phenylethyl)-4...)
Show SMILES CCCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1N1CCCC1
Show InChI InChI=1S/C22H25ClN4O2/c1-2-12-29-22(28)18-13-24-21-17(20(18)26-10-6-7-11-26)14-25-27(21)15-19(23)16-8-4-3-5-9-16/h3-5,8-9,13-14,19H,2,6-7,10-12,15H2,1H3
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2.97E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176824
PNG
(CHEMBL225522 | methyl 1-(2-chloro-2-phenylethyl)-4...)
Show SMILES COC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1N1CCCC1
Show InChI InChI=1S/C20H21ClN4O2/c1-27-20(26)16-11-22-19-15(18(16)24-9-5-6-10-24)12-23-25(19)13-17(21)14-7-3-2-4-8-14/h2-4,7-8,11-12,17H,5-6,9-10,13H2,1H3
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4.24E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50176840
PNG
(CHEMBL224083 | isopropyl 1-(2-chloro-2-phenylethyl...)
Show SMILES CC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NC1CC1
Show InChI InChI=1S/C21H23ClN4O2/c1-13(2)28-21(27)17-10-23-20-16(19(17)25-15-8-9-15)11-24-26(20)12-18(22)14-6-4-3-5-7-14/h3-7,10-11,13,15,18H,8-9,12H2,1-2H3,(H,23,25)
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PubMed
7.50E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from adenosine A2A receptor in bovine cerebral cortical membranes


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50176819
PNG
(CHEMBL225026 | methyl 4-(benzylamino)-1-(2-chloro-...)
Show SMILES COC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCc1ccccc1
Show InChI InChI=1S/C23H21ClN4O2/c1-30-23(29)19-13-26-22-18(21(19)25-12-16-8-4-2-5-9-16)14-27-28(22)15-20(24)17-10-6-3-7-11-17/h2-11,13-14,20H,12,15H2,1H3,(H,25,26)
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PubMed
7.57E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from adenosine A2A receptor in bovine cerebral cortical membranes


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50176836
PNG
(CHEMBL225341 | methyl 1-(2-chloro-2-phenylethyl)-4...)
Show SMILES CCCNc1c(cnc2n(CC(Cl)c3ccccc3)ncc12)C(=O)OC
Show InChI InChI=1S/C19H21ClN4O2/c1-3-9-21-17-14-11-23-24(12-16(20)13-7-5-4-6-8-13)18(14)22-10-15(17)19(25)26-2/h4-8,10-11,16H,3,9,12H2,1-2H3,(H,21,22)
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Article
PubMed
7.67E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from adenosine A2A receptor in bovine cerebral cortical membranes


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%