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Compile Data Set for Download or QSAR

Found 60 hits Enz. Inhib. hit(s) with all data for entry = 50020910   
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))
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 50: 4061-74 (2007)


Article DOI: 10.1021/jm070123v
BindingDB Entry DOI: 10.7270/Q2JM29BR
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50218930
PNG
(1-benzyl-3-(2-m-tolyl-2H-pyrazolo[3,4-c]quinolin-4...)
Show SMILES Cc1cccc(c1)-n1cc2c(n1)c(NC(=O)NCc1ccccc1)nc1ccccc21
Show InChI InChI=1S/C25H21N5O/c1-17-8-7-11-19(14-17)30-16-21-20-12-5-6-13-22(20)27-24(23(21)29-30)28-25(31)26-15-18-9-3-2-4-10-18/h2-14,16H,15H2,1H3,(H2,26,27,28,31)
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3.35n/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 50: 4061-74 (2007)


Article DOI: 10.1021/jm070123v
BindingDB Entry DOI: 10.7270/Q2JM29BR
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50218923
PNG
(CHEMBL390407 | N-(2-(4-methoxyphenyl)-2H-pyrazolo[...)
Show SMILES COc1ccc(cc1)-n1cc2c(n1)c(NC(=O)c1ccccc1)nc1ccccc21
Show InChI InChI=1S/C24H18N4O2/c1-30-18-13-11-17(12-14-18)28-15-20-19-9-5-6-10-21(19)25-23(22(20)27-28)26-24(29)16-7-3-2-4-8-16/h2-15H,1H3,(H,25,26,29)
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3.40n/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 50: 4061-74 (2007)


Article DOI: 10.1021/jm070123v
BindingDB Entry DOI: 10.7270/Q2JM29BR
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50218912
PNG
(2-phenyl-N-(2-m-tolyl-2H-pyrazolo[3,4-c]quinolin-4...)
Show SMILES Cc1cccc(c1)-n1cc2c(n1)c(NC(=O)Cc1ccccc1)nc1ccccc21
Show InChI InChI=1S/C25H20N4O/c1-17-8-7-11-19(14-17)29-16-21-20-12-5-6-13-22(20)26-25(24(21)28-29)27-23(30)15-18-9-3-2-4-10-18/h2-14,16H,15H2,1H3,(H,26,27,30)
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3.90n/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 50: 4061-74 (2007)


Article DOI: 10.1021/jm070123v
BindingDB Entry DOI: 10.7270/Q2JM29BR
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50218919
PNG
(CHEMBL242424 | N-(2-m-tolyl-2H-pyrazolo[3,4-c]quin...)
Show SMILES Cc1cccc(c1)-n1cc2c(n1)c(NC(=O)c1ccccc1)nc1ccccc21
Show InChI InChI=1S/C24H18N4O/c1-16-8-7-11-18(14-16)28-15-20-19-12-5-6-13-21(19)25-23(22(20)27-28)26-24(29)17-9-3-2-4-10-17/h2-15H,1H3,(H,25,26,29)
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4.30n/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 50: 4061-74 (2007)


Article DOI: 10.1021/jm070123v
BindingDB Entry DOI: 10.7270/Q2JM29BR
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50218917
PNG
(CHEMBL242632 | N-(2-p-tolyl-2H-pyrazolo[3,4-c]quin...)
Show SMILES Cc1ccc(cc1)-n1cc2c(n1)c(NC(=O)c1ccccc1)nc1ccccc21
Show InChI InChI=1S/C24H18N4O/c1-16-11-13-18(14-12-16)28-15-20-19-9-5-6-10-21(19)25-23(22(20)27-28)26-24(29)17-7-3-2-4-8-17/h2-15H,1H3,(H,25,26,29)
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4.40n/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 50: 4061-74 (2007)


Article DOI: 10.1021/jm070123v
BindingDB Entry DOI: 10.7270/Q2JM29BR
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50218918
PNG
(CHEMBL390408 | N-(2-(4-methoxyphenyl)-2H-pyrazolo[...)
Show SMILES COc1ccc(cc1)-n1cc2c(n1)c(NC(=O)Cc1ccccc1)nc1ccccc21
Show InChI InChI=1S/C25H20N4O2/c1-31-19-13-11-18(12-14-19)29-16-21-20-9-5-6-10-22(20)26-25(24(21)28-29)27-23(30)15-17-7-3-2-4-8-17/h2-14,16H,15H2,1H3,(H,26,27,30)
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4.5n/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 50: 4061-74 (2007)


Article DOI: 10.1021/jm070123v
BindingDB Entry DOI: 10.7270/Q2JM29BR
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50218925
PNG
(2-phenyl-N-(2-p-tolyl-2H-pyrazolo[3,4-c]quinolin-4...)
Show SMILES Cc1ccc(cc1)-n1cc2c(n1)c(NC(=O)Cc1ccccc1)nc1ccccc21
Show InChI InChI=1S/C25H20N4O/c1-17-11-13-19(14-12-17)29-16-21-20-9-5-6-10-22(20)26-25(24(21)28-29)27-23(30)15-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3,(H,26,27,30)
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5.60n/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 50: 4061-74 (2007)


Article DOI: 10.1021/jm070123v
BindingDB Entry DOI: 10.7270/Q2JM29BR
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50218927
PNG
(CHEMBL389318 | N-benzoyl-N-(2-phenyl-2H-pyrazolo[3...)
Show SMILES O=C(N(C(=O)c1ccccc1)c1nc2ccccc2c2cn(nc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H20N4O2/c35-29(21-12-4-1-5-13-21)34(30(36)22-14-6-2-7-15-22)28-27-25(24-18-10-11-19-26(24)31-28)20-33(32-27)23-16-8-3-9-17-23/h1-20H
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6.10n/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 50: 4061-74 (2007)


Article DOI: 10.1021/jm070123v
BindingDB Entry DOI: 10.7270/Q2JM29BR
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50218910
PNG
(2-(3-methoxyphenyl)-2H-pyrazolo[3,4-c]quinolin-4(5...)
Show SMILES COc1cccc(c1)-n1cc2c(n1)c(=O)[nH]c1ccccc21
Show InChI InChI=1S/C17H13N3O2/c1-22-12-6-4-5-11(9-12)20-10-14-13-7-2-3-8-15(13)18-17(21)16(14)19-20/h2-10H,1H3,(H,18,21)
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7.30n/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 50: 4061-74 (2007)


Article DOI: 10.1021/jm070123v
BindingDB Entry DOI: 10.7270/Q2JM29BR
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50218905
PNG
(2,2-diphenyl-N-(2-phenyl-2H-pyrazolo[3,4-c]quinoli...)
Show SMILES O=C(Nc1nc2ccccc2c2cn(nc12)-c1ccccc1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H22N4O/c35-30(27(21-12-4-1-5-13-21)22-14-6-2-7-15-22)32-29-28-25(24-18-10-11-19-26(24)31-29)20-34(33-28)23-16-8-3-9-17-23/h1-20,27H,(H,31,32,35)
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8.90n/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 50: 4061-74 (2007)


Article DOI: 10.1021/jm070123v
BindingDB Entry DOI: 10.7270/Q2JM29BR
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50218915
PNG
(CHEMBL397033 | N-(2-(4-methoxyphenyl)-2H-pyrazolo[...)
Show SMILES COc1ccc(cc1)-n1cc2c(n1)c(NC(=O)C(c1ccccc1)c1ccccc1)nc1ccccc21
Show InChI InChI=1S/C31H24N4O2/c1-37-24-18-16-23(17-19-24)35-20-26-25-14-8-9-15-27(25)32-30(29(26)34-35)33-31(36)28(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-20,28H,1H3,(H,32,33,36)
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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 50: 4061-74 (2007)


Article DOI: 10.1021/jm070123v
BindingDB Entry DOI: 10.7270/Q2JM29BR
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50218921
PNG
(2,2-diphenyl-N-(2-p-tolyl-2H-pyrazolo[3,4-c]quinol...)
Show SMILES Cc1ccc(cc1)-n1cc2c(n1)c(NC(=O)C(c1ccccc1)c1ccccc1)nc1ccccc21
Show InChI InChI=1S/C31H24N4O/c1-21-16-18-24(19-17-21)35-20-26-25-14-8-9-15-27(25)32-30(29(26)34-35)33-31(36)28(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-20,28H,1H3,(H,32,33,36)
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11.5n/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 50: 4061-74 (2007)


Article DOI: 10.1021/jm070123v
BindingDB Entry DOI: 10.7270/Q2JM29BR
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50218914
PNG
(2-m-Tolyl-2,5-dihydro-pyrazolo[3,4-c]quinolin-4-on...)
Show SMILES Cc1cccc(c1)-n1cc2c(n1)c(=O)[nH]c1ccccc21
Show InChI InChI=1S/C17H13N3O/c1-11-5-4-6-12(9-11)20-10-14-13-7-2-3-8-15(13)18-17(21)16(14)19-20/h2-10H,1H3,(H,18,21)
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12n/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 50: 4061-74 (2007)


Article DOI: 10.1021/jm070123v
BindingDB Entry DOI: 10.7270/Q2JM29BR
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50218910
PNG
(2-(3-methoxyphenyl)-2H-pyrazolo[3,4-c]quinolin-4(5...)
Show SMILES COc1cccc(c1)-n1cc2c(n1)c(=O)[nH]c1ccccc21
Show InChI InChI=1S/C17H13N3O2/c1-22-12-6-4-5-11(9-12)20-10-14-13-7-2-3-8-15(13)18-17(21)16(14)19-20/h2-10H,1H3,(H,18,21)
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14n/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 50: 4061-74 (2007)


Article DOI: 10.1021/jm070123v
BindingDB Entry DOI: 10.7270/Q2JM29BR
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50218909
PNG
(2,2-diphenyl-N-(2-m-tolyl-2H-pyrazolo[3,4-c]quinol...)
Show SMILES Cc1cccc(c1)-n1cc2c(n1)c(NC(=O)C(c1ccccc1)c1ccccc1)nc1ccccc21
Show InChI InChI=1S/C31H24N4O/c1-21-11-10-16-24(19-21)35-20-26-25-17-8-9-18-27(25)32-30(29(26)34-35)33-31(36)28(22-12-4-2-5-13-22)23-14-6-3-7-15-23/h2-20,28H,1H3,(H,32,33,36)
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14n/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 50: 4061-74 (2007)


Article DOI: 10.1021/jm070123v
BindingDB Entry DOI: 10.7270/Q2JM29BR
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50218907
PNG
(CHEMBL230854 | N-benzoyl-N-[2-(4-methoxy-phenyl)-2...)
Show SMILES COc1ccc(cc1)-n1cc2c(n1)c(nc1ccccc21)N(C(=O)c1ccccc1)C(=O)c1ccccc1
Show InChI InChI=1S/C31H22N4O3/c1-38-24-18-16-23(17-19-24)34-20-26-25-14-8-9-15-27(25)32-29(28(26)33-34)35(30(36)21-10-4-2-5-11-21)31(37)22-12-6-3-7-13-22/h2-20H,1H3
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17.2n/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 50: 4061-74 (2007)


Article DOI: 10.1021/jm070123v
BindingDB Entry DOI: 10.7270/Q2JM29BR
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50091130
PNG
(2-m-Tolyl-2H-pyrazolo[3,4-c]quinolin-4-ylamine | 2...)
Show SMILES Cc1cccc(c1)-n1cc2c(n1)c(N)nc1ccccc21
Show InChI InChI=1S/C17H14N4/c1-11-5-4-6-12(9-11)21-10-14-13-7-2-3-8-15(13)19-17(18)16(14)20-21/h2-10H,1H3,(H2,18,19)
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21n/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 50: 4061-74 (2007)


Article DOI: 10.1021/jm070123v
BindingDB Entry DOI: 10.7270/Q2JM29BR
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50218913
PNG
(CHEMBL230853 | N-benzoyl-N-(2-phenyl-2H-pyrazolo[3...)
Show SMILES Cc1cccc(c1)-n1cc2c(n1)c(nc1ccccc21)N(C(=O)c1ccccc1)C(=O)c1ccccc1
Show InChI InChI=1S/C31H22N4O2/c1-21-11-10-16-24(19-21)34-20-26-25-17-8-9-18-27(25)32-29(28(26)33-34)35(30(36)22-12-4-2-5-13-22)31(37)23-14-6-3-7-15-23/h2-20H,1H3
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23.3n/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 50: 4061-74 (2007)


Article DOI: 10.1021/jm070123v
BindingDB Entry DOI: 10.7270/Q2JM29BR
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50218920
PNG
(2-p-Tolyl-2,5-dihydro-pyrazolo[3,4-c]quinolin-4-on...)
Show SMILES Cc1ccc(cc1)-n1cc2c(n1)c(=O)[nH]c1ccccc21
Show InChI InChI=1S/C17H13N3O/c1-11-6-8-12(9-7-11)20-10-14-13-4-2-3-5-15(13)18-17(21)16(14)19-20/h2-10H,1H3,(H,18,21)
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29n/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 50: 4061-74 (2007)


Article DOI: 10.1021/jm070123v
BindingDB Entry DOI: 10.7270/Q2JM29BR
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50218904
PNG
(CHEMBL389962 | N-benzoyl-N-(2-p-tolyl-2H-pyrazolo[...)
Show SMILES Cc1ccc(cc1)-n1cc2c(n1)c(nc1ccccc21)N(C(=O)c1ccccc1)C(=O)c1ccccc1
Show InChI InChI=1S/C31H22N4O2/c1-21-16-18-24(19-17-21)34-20-26-25-14-8-9-15-27(25)32-29(28(26)33-34)35(30(36)22-10-4-2-5-11-22)31(37)23-12-6-3-7-13-23/h2-20H,1H3
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30n/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 50: 4061-74 (2007)


Article DOI: 10.1021/jm070123v
BindingDB Entry DOI: 10.7270/Q2JM29BR
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50218926
PNG
(CHEMBL242421 | N-(2-m-tolyl-2H-pyrazolo[3,4-c]quin...)
Show SMILES CC(=O)Nc1nc2ccccc2c2cn(nc12)-c1cccc(C)c1
Show InChI InChI=1S/C19H16N4O/c1-12-6-5-7-14(10-12)23-11-16-15-8-3-4-9-17(15)21-19(18(16)22-23)20-13(2)24/h3-11H,1-2H3,(H,20,21,24)
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31n/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 50: 4061-74 (2007)


Article DOI: 10.1021/jm070123v
BindingDB Entry DOI: 10.7270/Q2JM29BR
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50218916
PNG
(2-(3-methoxyphenyl)-2H-pyrazolo[3,4-c]quinolin-4-a...)
Show SMILES COc1cccc(c1)-n1cc2c(n1)c(N)nc1ccccc21
Show InChI InChI=1S/C17H14N4O/c1-22-12-6-4-5-11(9-12)21-10-14-13-7-2-3-8-15(13)19-17(18)16(14)20-21/h2-10H,1H3,(H2,18,19)
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32n/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 50: 4061-74 (2007)


Article DOI: 10.1021/jm070123v
BindingDB Entry DOI: 10.7270/Q2JM29BR
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50091128
PNG
(2-(4-Methoxy-phenyl)-2H-pyrazolo[3,4-c]quinolin-4-...)
Show SMILES COc1ccc(cc1)-n1cc2c(n1)c(N)nc1ccccc21
Show InChI InChI=1S/C17H14N4O/c1-22-12-8-6-11(7-9-12)21-10-14-13-4-2-3-5-15(13)19-17(18)16(14)20-21/h2-10H,1H3,(H2,18,19)
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40n/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 50: 4061-74 (2007)


Article DOI: 10.1021/jm070123v
BindingDB Entry DOI: 10.7270/Q2JM29BR
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50091144
PNG
(2-p-Tolyl-2H-pyrazolo[3,4-c]quinolin-4-ylamine | 2...)
Show SMILES Cc1ccc(cc1)-n1cc2c(n1)c(N)nc1ccccc21
Show InChI InChI=1S/C17H14N4/c1-11-6-8-12(9-7-11)21-10-14-13-4-2-3-5-15(13)19-17(18)16(14)20-21/h2-10H,1H3,(H2,18,19)
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45n/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 50: 4061-74 (2007)


Article DOI: 10.1021/jm070123v
BindingDB Entry DOI: 10.7270/Q2JM29BR
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50218919
PNG
(CHEMBL242424 | N-(2-m-tolyl-2H-pyrazolo[3,4-c]quin...)
Show SMILES Cc1cccc(c1)-n1cc2c(n1)c(NC(=O)c1ccccc1)nc1ccccc21
Show InChI InChI=1S/C24H18N4O/c1-16-8-7-11-18(14-16)28-15-20-19-12-5-6-13-21(19)25-23(22(20)27-28)26-24(29)17-9-3-2-4-10-17/h2-15H,1H3,(H,25,26,29)
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57n/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 50: 4061-74 (2007)


Article DOI: 10.1021/jm070123v
BindingDB Entry DOI: 10.7270/Q2JM29BR
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50218912
PNG
(2-phenyl-N-(2-m-tolyl-2H-pyrazolo[3,4-c]quinolin-4...)
Show SMILES Cc1cccc(c1)-n1cc2c(n1)c(NC(=O)Cc1ccccc1)nc1ccccc21
Show InChI InChI=1S/C25H20N4O/c1-17-8-7-11-19(14-17)29-16-21-20-12-5-6-13-22(20)26-25(24(21)28-29)27-23(30)15-18-9-3-2-4-10-18/h2-14,16H,15H2,1H3,(H,26,27,30)
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60n/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 50: 4061-74 (2007)


Article DOI: 10.1021/jm070123v
BindingDB Entry DOI: 10.7270/Q2JM29BR
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50218906
PNG
(2-benzyl-2H-pyrazolo[3,4-c]quinolin-4(5H)-one | CH...)
Show SMILES O=c1[nH]c2ccccc2c2cn(Cc3ccccc3)nc12
Show InChI InChI=1S/C17H13N3O/c21-17-16-14(13-8-4-5-9-15(13)18-17)11-20(19-16)10-12-6-2-1-3-7-12/h1-9,11H,10H2,(H,18,21)
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74.5n/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 50: 4061-74 (2007)


Article DOI: 10.1021/jm070123v
BindingDB Entry DOI: 10.7270/Q2JM29BR
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50218928
PNG
(2-(4-nitrophenyl)-2H-pyrazolo[3,4-c]quinolin-4(5H)...)
Show SMILES [O-][N+](=O)c1ccc(cc1)-n1cc2c(n1)c(=O)[nH]c1ccccc21
Show InChI InChI=1S/C16H10N4O3/c21-16-15-13(12-3-1-2-4-14(12)17-16)9-19(18-15)10-5-7-11(8-6-10)20(22)23/h1-9H,(H,17,21)
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85.5n/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 50: 4061-74 (2007)


Article DOI: 10.1021/jm070123v
BindingDB Entry DOI: 10.7270/Q2JM29BR
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50091117
PNG
(2-Phenyl-2H-pyrazolo[3,4-c]quinolin-4-ylamine | 2-...)
Show SMILES Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
Show InChI InChI=1S/C16H12N4/c17-16-15-13(12-8-4-5-9-14(12)18-16)10-20(19-15)11-6-2-1-3-7-11/h1-10H,(H2,17,18)
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91n/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 50: 4061-74 (2007)


Article DOI: 10.1021/jm070123v
BindingDB Entry DOI: 10.7270/Q2JM29BR
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50218908
PNG
(CHEMBL242422 | N-(2-(4-methoxyphenyl)-2H-pyrazolo[...)
Show SMILES COc1ccc(cc1)-n1cc2c(n1)c(NC(C)=O)nc1ccccc21
Show InChI InChI=1S/C19H16N4O2/c1-12(24)20-19-18-16(15-5-3-4-6-17(15)21-19)11-23(22-18)13-7-9-14(25-2)10-8-13/h3-11H,1-2H3,(H,20,21,24)
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102n/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 50: 4061-74 (2007)


Article DOI: 10.1021/jm070123v
BindingDB Entry DOI: 10.7270/Q2JM29BR
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50218924
PNG
(CHEMBL388459 | N-(2-p-tolyl-2H-pyrazolo[3,4-c]quin...)
Show SMILES CC(=O)Nc1nc2ccccc2c2cn(nc12)-c1ccc(C)cc1
Show InChI InChI=1S/C19H16N4O/c1-12-7-9-14(10-8-12)23-11-16-15-5-3-4-6-17(15)21-19(18(16)22-23)20-13(2)24/h3-11H,1-2H3,(H,20,21,24)
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123n/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 50: 4061-74 (2007)


Article DOI: 10.1021/jm070123v
BindingDB Entry DOI: 10.7270/Q2JM29BR
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50218911
PNG
(2-(4-Methoxy-phenyl)-2,5-dihydro-pyrazolo[3,4-c]qu...)
Show SMILES COc1ccc(cc1)-n1cc2c(n1)c(=O)[nH]c1ccccc21
Show InChI InChI=1S/C17H13N3O2/c1-22-12-8-6-11(7-9-12)20-10-14-13-4-2-3-5-15(13)18-17(21)16(14)19-20/h2-10H,1H3,(H,18,21)
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176n/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 50: 4061-74 (2007)


Article DOI: 10.1021/jm070123v
BindingDB Entry DOI: 10.7270/Q2JM29BR
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50218918
PNG
(CHEMBL390408 | N-(2-(4-methoxyphenyl)-2H-pyrazolo[...)
Show SMILES COc1ccc(cc1)-n1cc2c(n1)c(NC(=O)Cc1ccccc1)nc1ccccc21
Show InChI InChI=1S/C25H20N4O2/c1-31-19-13-11-18(12-14-19)29-16-21-20-9-5-6-10-22(20)26-25(24(21)28-29)27-23(30)15-17-7-3-2-4-8-17/h2-14,16H,15H2,1H3,(H,26,27,30)
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201n/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 50: 4061-74 (2007)


Article DOI: 10.1021/jm070123v
BindingDB Entry DOI: 10.7270/Q2JM29BR
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50218922
PNG
(2-Phenyl-2,5-dihydro-pyrazolo[3,4-c]quinolin-4-one...)
Show SMILES O=c1[nH]c2ccccc2c2cn(nc12)-c1ccccc1
Show InChI InChI=1S/C16H11N3O/c20-16-15-13(12-8-4-5-9-14(12)17-16)10-19(18-15)11-6-2-1-3-7-11/h1-10H,(H,17,20)
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203n/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 50: 4061-74 (2007)


Article DOI: 10.1021/jm070123v
BindingDB Entry DOI: 10.7270/Q2JM29BR
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50218926
PNG
(CHEMBL242421 | N-(2-m-tolyl-2H-pyrazolo[3,4-c]quin...)
Show SMILES CC(=O)Nc1nc2ccccc2c2cn(nc12)-c1cccc(C)c1
Show InChI InChI=1S/C19H16N4O/c1-12-6-5-7-14(10-12)23-11-16-15-8-3-4-9-17(15)21-19(18(16)22-23)20-13(2)24/h3-11H,1-2H3,(H,20,21,24)
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203n/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 50: 4061-74 (2007)


Article DOI: 10.1021/jm070123v
BindingDB Entry DOI: 10.7270/Q2JM29BR
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50091130
PNG
(2-m-Tolyl-2H-pyrazolo[3,4-c]quinolin-4-ylamine | 2...)
Show SMILES Cc1cccc(c1)-n1cc2c(n1)c(N)nc1ccccc21
Show InChI InChI=1S/C17H14N4/c1-11-5-4-6-12(9-11)21-10-14-13-7-2-3-8-15(13)19-17(18)16(14)20-21/h2-10H,1H3,(H2,18,19)
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228n/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 50: 4061-74 (2007)


Article DOI: 10.1021/jm070123v
BindingDB Entry DOI: 10.7270/Q2JM29BR
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50218916
PNG
(2-(3-methoxyphenyl)-2H-pyrazolo[3,4-c]quinolin-4-a...)
Show SMILES COc1cccc(c1)-n1cc2c(n1)c(N)nc1ccccc21
Show InChI InChI=1S/C17H14N4O/c1-22-12-6-4-5-11(9-12)21-10-14-13-7-2-3-8-15(13)19-17(18)16(14)20-21/h2-10H,1H3,(H2,18,19)
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229n/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 50: 4061-74 (2007)


Article DOI: 10.1021/jm070123v
BindingDB Entry DOI: 10.7270/Q2JM29BR
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50218923
PNG
(CHEMBL390407 | N-(2-(4-methoxyphenyl)-2H-pyrazolo[...)
Show SMILES COc1ccc(cc1)-n1cc2c(n1)c(NC(=O)c1ccccc1)nc1ccccc21
Show InChI InChI=1S/C24H18N4O2/c1-30-18-13-11-17(12-14-18)28-15-20-19-9-5-6-10-21(19)25-23(22(20)27-28)26-24(29)16-7-3-2-4-8-16/h2-15H,1H3,(H,25,26,29)
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250n/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 50: 4061-74 (2007)


Article DOI: 10.1021/jm070123v
BindingDB Entry DOI: 10.7270/Q2JM29BR
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50218929
PNG
(1-benzyl-3-(2-p-tolyl-2H-pyrazolo[3,4-c]quinolin-4...)
Show SMILES Cc1ccc(cc1)-n1cc2c(n1)c(NC(=O)NCc1ccccc1)nc1ccccc21
Show InChI InChI=1S/C25H21N5O/c1-17-11-13-19(14-12-17)30-16-21-20-9-5-6-10-22(20)27-24(23(21)29-30)28-25(31)26-15-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3,(H2,26,27,28,31)
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257n/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 50: 4061-74 (2007)


Article DOI: 10.1021/jm070123v
BindingDB Entry DOI: 10.7270/Q2JM29BR
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 50: 4061-74 (2007)


Article DOI: 10.1021/jm070123v
BindingDB Entry DOI: 10.7270/Q2JM29BR
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50091144
PNG
(2-p-Tolyl-2H-pyrazolo[3,4-c]quinolin-4-ylamine | 2...)
Show SMILES Cc1ccc(cc1)-n1cc2c(n1)c(N)nc1ccccc21
Show InChI InChI=1S/C17H14N4/c1-11-6-8-12(9-7-11)21-10-14-13-4-2-3-5-15(13)19-17(18)16(14)20-21/h2-10H,1H3,(H2,18,19)
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329n/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 50: 4061-74 (2007)


Article DOI: 10.1021/jm070123v
BindingDB Entry DOI: 10.7270/Q2JM29BR
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50218928
PNG
(2-(4-nitrophenyl)-2H-pyrazolo[3,4-c]quinolin-4(5H)...)
Show SMILES [O-][N+](=O)c1ccc(cc1)-n1cc2c(n1)c(=O)[nH]c1ccccc21
Show InChI InChI=1S/C16H10N4O3/c21-16-15-13(12-3-1-2-4-14(12)17-16)9-19(18-15)10-5-7-11(8-6-10)20(22)23/h1-9H,(H,17,21)
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357n/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 50: 4061-74 (2007)


Article DOI: 10.1021/jm070123v
BindingDB Entry DOI: 10.7270/Q2JM29BR
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50218924
PNG
(CHEMBL388459 | N-(2-p-tolyl-2H-pyrazolo[3,4-c]quin...)
Show SMILES CC(=O)Nc1nc2ccccc2c2cn(nc12)-c1ccc(C)cc1
Show InChI InChI=1S/C19H16N4O/c1-12-7-9-14(10-8-12)23-11-16-15-5-3-4-6-17(15)21-19(18(16)22-23)20-13(2)24/h3-11H,1-2H3,(H,20,21,24)
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455n/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 50: 4061-74 (2007)


Article DOI: 10.1021/jm070123v
BindingDB Entry DOI: 10.7270/Q2JM29BR
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50218916
PNG
(2-(3-methoxyphenyl)-2H-pyrazolo[3,4-c]quinolin-4-a...)
Show SMILES COc1cccc(c1)-n1cc2c(n1)c(N)nc1ccccc21
Show InChI InChI=1S/C17H14N4O/c1-22-12-6-4-5-11(9-12)21-10-14-13-7-2-3-8-15(13)19-17(18)16(14)20-21/h2-10H,1H3,(H2,18,19)
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486n/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 50: 4061-74 (2007)


Article DOI: 10.1021/jm070123v
BindingDB Entry DOI: 10.7270/Q2JM29BR
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50218909
PNG
(2,2-diphenyl-N-(2-m-tolyl-2H-pyrazolo[3,4-c]quinol...)
Show SMILES Cc1cccc(c1)-n1cc2c(n1)c(NC(=O)C(c1ccccc1)c1ccccc1)nc1ccccc21
Show InChI InChI=1S/C31H24N4O/c1-21-11-10-16-24(19-21)35-20-26-25-17-8-9-18-27(25)32-30(29(26)34-35)33-31(36)28(22-12-4-2-5-13-22)23-14-6-3-7-15-23/h2-20,28H,1H3,(H,32,33,36)
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559n/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 50: 4061-74 (2007)


Article DOI: 10.1021/jm070123v
BindingDB Entry DOI: 10.7270/Q2JM29BR
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50218917
PNG
(CHEMBL242632 | N-(2-p-tolyl-2H-pyrazolo[3,4-c]quin...)
Show SMILES Cc1ccc(cc1)-n1cc2c(n1)c(NC(=O)c1ccccc1)nc1ccccc21
Show InChI InChI=1S/C24H18N4O/c1-16-11-13-18(14-12-16)28-15-20-19-9-5-6-10-21(19)25-23(22(20)27-28)26-24(29)17-7-3-2-4-8-17/h2-15H,1H3,(H,25,26,29)
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629n/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 50: 4061-74 (2007)


Article DOI: 10.1021/jm070123v
BindingDB Entry DOI: 10.7270/Q2JM29BR
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50091117
PNG
(2-Phenyl-2H-pyrazolo[3,4-c]quinolin-4-ylamine | 2-...)
Show SMILES Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
Show InChI InChI=1S/C16H12N4/c17-16-15-13(12-8-4-5-9-14(12)18-16)10-20(19-15)11-6-2-1-3-7-11/h1-10H,(H2,17,18)
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659n/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 50: 4061-74 (2007)


Article DOI: 10.1021/jm070123v
BindingDB Entry DOI: 10.7270/Q2JM29BR
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50091128
PNG
(2-(4-Methoxy-phenyl)-2H-pyrazolo[3,4-c]quinolin-4-...)
Show SMILES COc1ccc(cc1)-n1cc2c(n1)c(N)nc1ccccc21
Show InChI InChI=1S/C17H14N4O/c1-22-12-8-6-11(7-9-12)21-10-14-13-4-2-3-5-15(13)19-17(18)16(14)20-21/h2-10H,1H3,(H2,18,19)
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1.06E+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 50: 4061-74 (2007)


Article DOI: 10.1021/jm070123v
BindingDB Entry DOI: 10.7270/Q2JM29BR
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 50: 4061-74 (2007)


Article DOI: 10.1021/jm070123v
BindingDB Entry DOI: 10.7270/Q2JM29BR
More data for this
Ligand-Target Pair
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