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PubMed code 18996701

Compile data set for download or QSAR
Found 38 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 A3


(Homo sapiens (Human))
BDBM50091116
PNG
(CHEMBL322983 | N-(2-Phenyl-2H-pyrazolo[3,4-c]quino...)
Show SMILES O=C(Nc1nc2ccccc2c2cn(nc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H16N4O/c28-23(16-9-3-1-4-10-16)25-22-21-19(18-13-7-8-14-20(18)24-22)15-27(26-21)17-11-5-2-6-12-17/h1-15H,(H,24,25,28)
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2n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 17: 401-10 (2008)


Article DOI: 10.1016/j.bmc.2008.10.018
BindingDB Entry DOI: 10.7270/Q21N810X
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50245929
PNG
(CHEMBL517867 | N-(2-phenyl-2H-pyrazolo[3,4-c]quino...)
Show SMILES O=C(Nc1nc2ccccc2c2cn(nc12)-c1ccccc1)c1ccco1
Show InChI InChI=1S/C21H14N4O2/c26-21(18-11-6-12-27-18)23-20-19-16(15-9-4-5-10-17(15)22-20)13-25(24-19)14-7-2-1-3-8-14/h1-13H,(H,22,23,26)
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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 by scintillation counting


Bioorg Med Chem 17: 401-10 (2008)


Article DOI: 10.1016/j.bmc.2008.10.018
BindingDB Entry DOI: 10.7270/Q21N810X
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 by scintillation counting


Bioorg Med Chem 17: 401-10 (2008)


Article DOI: 10.1016/j.bmc.2008.10.018
BindingDB Entry DOI: 10.7270/Q21N810X
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 by scintillation counting


Bioorg Med Chem 17: 401-10 (2008)


Article DOI: 10.1016/j.bmc.2008.10.018
BindingDB Entry DOI: 10.7270/Q21N810X
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50254612
PNG
(CHEMBL454780 | N-(2-phenyl-2H-pyrazolo[3,4-c]quino...)
Show SMILES O=C(Nc1nc2ccccc2c2cn(nc12)-c1ccccc1)c1ccncc1
Show InChI InChI=1S/C22H15N5O/c28-22(15-10-12-23-13-11-15)25-21-20-18(17-8-4-5-9-19(17)24-21)14-27(26-20)16-6-2-1-3-7-16/h1-14H,(H,24,25,28)
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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 by scintillation counting


Bioorg Med Chem 17: 401-10 (2008)


Article DOI: 10.1016/j.bmc.2008.10.018
BindingDB Entry DOI: 10.7270/Q21N810X
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 by scintillation counting


Bioorg Med Chem 17: 401-10 (2008)


Article DOI: 10.1016/j.bmc.2008.10.018
BindingDB Entry DOI: 10.7270/Q21N810X
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50254695
PNG
(3-methyl-N-(2-phenyl-2H-pyrazolo[3,4-c]quinolin-4-...)
Show SMILES Cc1cccc(c1)C(=O)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
Show InChI InChI=1S/C24H18N4O/c1-16-8-7-9-17(14-16)24(29)26-23-22-20(19-12-5-6-13-21(19)25-23)15-28(27-22)18-10-3-2-4-11-18/h2-15H,1H3,(H,25,26,29)
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6.30n/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 by scintillation counting


Bioorg Med Chem 17: 401-10 (2008)


Article DOI: 10.1016/j.bmc.2008.10.018
BindingDB Entry DOI: 10.7270/Q21N810X
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50245931
PNG
(5-methyl-N-(2-phenyl-2H-pyrazolo[3,4-c]quinolin-4-...)
Show SMILES Cc1ccc(o1)C(=O)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
Show InChI InChI=1S/C22H16N4O2/c1-14-11-12-19(28-14)22(27)24-21-20-17(16-9-5-6-10-18(16)23-21)13-26(25-20)15-7-3-2-4-8-15/h2-13H,1H3,(H,23,24,27)
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7.5n/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 by scintillation counting


Bioorg Med Chem 17: 401-10 (2008)


Article DOI: 10.1016/j.bmc.2008.10.018
BindingDB Entry DOI: 10.7270/Q21N810X
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50254611
PNG
(CHEMBL519614 | N-(2-phenyl-2H-pyrazolo[3,4-c]quino...)
Show SMILES O=C(Nc1nc2ccccc2c2cn(nc12)-c1ccccc1)c1cccnc1
Show InChI InChI=1S/C22H15N5O/c28-22(15-7-6-12-23-13-15)25-21-20-18(17-10-4-5-11-19(17)24-21)14-27(26-20)16-8-2-1-3-9-16/h1-14H,(H,24,25,28)
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10.5n/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 by scintillation counting


Bioorg Med Chem 17: 401-10 (2008)


Article DOI: 10.1016/j.bmc.2008.10.018
BindingDB Entry DOI: 10.7270/Q21N810X
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50254650
PNG
(CHEMBL464040 | N-(2-(4-chlorophenyl)-2H-pyrazolo[3...)
Show SMILES Clc1ccc(cc1)-n1cc2c(n1)c(NC(=O)c1ccco1)nc1ccccc21
Show InChI InChI=1S/C21H13ClN4O2/c22-13-7-9-14(10-8-13)26-12-16-15-4-1-2-5-17(15)23-20(19(16)25-26)24-21(27)18-6-3-11-28-18/h1-12H,(H,23,24,27)
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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 by scintillation counting


Bioorg Med Chem 17: 401-10 (2008)


Article DOI: 10.1016/j.bmc.2008.10.018
BindingDB Entry DOI: 10.7270/Q21N810X
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50254734
PNG
(4-methyl-N-(2-phenyl-2H-pyrazolo[3,4-c]quinolin-4-...)
Show SMILES Cc1ccc(cc1)C(=O)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
Show InChI InChI=1S/C24H18N4O/c1-16-11-13-17(14-12-16)24(29)26-23-22-20(19-9-5-6-10-21(19)25-23)15-28(27-22)18-7-3-2-4-8-18/h2-15H,1H3,(H,25,26,29)
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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 by scintillation counting


Bioorg Med Chem 17: 401-10 (2008)


Article DOI: 10.1016/j.bmc.2008.10.018
BindingDB Entry DOI: 10.7270/Q21N810X
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50254610
PNG
(CHEMBL520122 | N-(2-phenyl-2H-pyrazolo[3,4-c]quino...)
Show SMILES O=C(Nc1nc2ccccc2c2cn(nc12)-c1ccccc1)c1ccccn1
Show InChI InChI=1S/C22H15N5O/c28-22(19-12-6-7-13-23-19)25-21-20-17(16-10-4-5-11-18(16)24-21)14-27(26-20)15-8-2-1-3-9-15/h1-14H,(H,24,25,28)
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15.5n/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 by scintillation counting


Bioorg Med Chem 17: 401-10 (2008)


Article DOI: 10.1016/j.bmc.2008.10.018
BindingDB Entry DOI: 10.7270/Q21N810X
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50254651
PNG
(CHEMBL516851 | N-(2-(4-chlorophenyl)-2H-pyrazolo[3...)
Show SMILES Clc1ccc(cc1)-n1cc2c(n1)c(NC(=O)c1ccncc1)nc1ccccc21
Show InChI InChI=1S/C22H14ClN5O/c23-15-5-7-16(8-6-15)28-13-18-17-3-1-2-4-19(17)25-21(20(18)27-28)26-22(29)14-9-11-24-12-10-14/h1-13H,(H,25,26,29)
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24.7n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 17: 401-10 (2008)


Article DOI: 10.1016/j.bmc.2008.10.018
BindingDB Entry DOI: 10.7270/Q21N810X
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50245933
PNG
(CHEMBL517868 | N-(2-phenyl-2H-pyrazolo[3,4-c]quino...)
Show SMILES O=C(Nc1nc2ccccc2c2cn(nc12)-c1ccccc1)c1ccsc1
Show InChI InChI=1S/C21H14N4OS/c26-21(14-10-11-27-13-14)23-20-19-17(16-8-4-5-9-18(16)22-20)12-25(24-19)15-6-2-1-3-7-15/h1-13H,(H,22,23,26)
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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 by scintillation counting


Bioorg Med Chem 17: 401-10 (2008)


Article DOI: 10.1016/j.bmc.2008.10.018
BindingDB Entry DOI: 10.7270/Q21N810X
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50245930
PNG
(CHEMBL461151 | N-(2-phenyl-2H-pyrazolo[3,4-c]quino...)
Show SMILES O=C(Nc1nc2ccccc2c2cn(nc12)-c1ccccc1)c1ccoc1
Show InChI InChI=1S/C21H14N4O2/c26-21(14-10-11-27-13-14)23-20-19-17(16-8-4-5-9-18(16)22-20)12-25(24-19)15-6-2-1-3-7-15/h1-13H,(H,22,23,26)
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50n/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 by scintillation counting


Bioorg Med Chem 17: 401-10 (2008)


Article DOI: 10.1016/j.bmc.2008.10.018
BindingDB Entry DOI: 10.7270/Q21N810X
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50245932
PNG
(CHEMBL462204 | N-(2-phenyl-2H-pyrazolo[3,4-c]quino...)
Show SMILES O=C(Nc1nc2ccccc2c2cn(nc12)-c1ccccc1)c1cccs1
Show InChI InChI=1S/C21H14N4OS/c26-21(18-11-6-12-27-18)23-20-19-16(15-9-4-5-10-17(15)22-20)13-25(24-19)14-7-2-1-3-8-14/h1-13H,(H,22,23,26)
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50n/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 by scintillation counting


Bioorg Med Chem 17: 401-10 (2008)


Article DOI: 10.1016/j.bmc.2008.10.018
BindingDB Entry DOI: 10.7270/Q21N810X
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50254652
PNG
(CHEMBL464041 | N-(2-(3-(trifluoromethyl)phenyl)-2H...)
Show SMILES FC(F)(F)c1cccc(c1)-n1cc2c(n1)c(NC(=O)c1ccccc1)nc1ccccc21
Show InChI InChI=1S/C24H15F3N4O/c25-24(26,27)16-9-6-10-17(13-16)31-14-19-18-11-4-5-12-20(18)28-22(21(19)30-31)29-23(32)15-7-2-1-3-8-15/h1-14H,(H,28,29,32)
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52n/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 by scintillation counting


Bioorg Med Chem 17: 401-10 (2008)


Article DOI: 10.1016/j.bmc.2008.10.018
BindingDB Entry DOI: 10.7270/Q21N810X
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)
PDB

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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 by scintillation counting


Bioorg Med Chem 17: 401-10 (2008)


Article DOI: 10.1016/j.bmc.2008.10.018
BindingDB Entry DOI: 10.7270/Q21N810X
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50254609
PNG
(CHEMBL482183 | N-(2-phenyl-2H-pyrazolo[3,4-c]quino...)
Show SMILES O=C(Nc1nc2ccccc2c2cn(nc12)-c1ccccc1)c1cscn1
Show InChI InChI=1S/C20H13N5OS/c26-20(17-11-27-12-21-17)23-19-18-15(14-8-4-5-9-16(14)22-19)10-25(24-18)13-6-2-1-3-7-13/h1-12H,(H,22,23,26)
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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 by scintillation counting


Bioorg Med Chem 17: 401-10 (2008)


Article DOI: 10.1016/j.bmc.2008.10.018
BindingDB Entry DOI: 10.7270/Q21N810X
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50254693
PNG
(CHEMBL518572 | N-(2-phenyl-2H-pyrazolo[3,4-c]quino...)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
Show InChI InChI=1S/C24H15F3N4O/c25-24(26,27)16-8-6-7-15(13-16)23(32)29-22-21-19(18-11-4-5-12-20(18)28-22)14-31(30-21)17-9-2-1-3-10-17/h1-14H,(H,28,29,32)
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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 by scintillation counting


Bioorg Med Chem 17: 401-10 (2008)


Article DOI: 10.1016/j.bmc.2008.10.018
BindingDB Entry DOI: 10.7270/Q21N810X
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50254649
PNG
(CHEMBL463873 | N-(2-phenyl-2H-pyrazolo[3,4-c]quino...)
Show SMILES O=C(Nc1nc2ccccc2c2cn(nc12)-c1ccccc1)c1cnccn1
Show InChI InChI=1S/C21H14N6O/c28-21(18-12-22-10-11-23-18)25-20-19-16(15-8-4-5-9-17(15)24-20)13-27(26-19)14-6-2-1-3-7-14/h1-13H,(H,24,25,28)
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65n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 17: 401-10 (2008)


Article DOI: 10.1016/j.bmc.2008.10.018
BindingDB Entry DOI: 10.7270/Q21N810X
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50254692
PNG
(CHEMBL465096 | N-(2-(4-(trifluoromethyl)phenyl)-2H...)
Show SMILES FC(F)(F)c1ccc(cc1)-n1cc2c(n1)c(NC(=O)c1ccccc1)nc1ccccc21
Show InChI InChI=1S/C24H15F3N4O/c25-24(26,27)16-10-12-17(13-11-16)31-14-19-18-8-4-5-9-20(18)28-22(21(19)30-31)29-23(32)15-6-2-1-3-7-15/h1-14H,(H,28,29,32)
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140n/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 by scintillation counting


Bioorg Med Chem 17: 401-10 (2008)


Article DOI: 10.1016/j.bmc.2008.10.018
BindingDB Entry DOI: 10.7270/Q21N810X
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50254648
PNG
(CHEMBL463863 | N-(2-phenyl-2H-pyrazolo[3,4-c]quino...)
Show SMILES O=C(Nc1nc2ccccc2c2cn(nc12)-c1ccccc1)c1ccncn1
Show InChI InChI=1S/C21H14N6O/c28-21(18-10-11-22-13-23-18)25-20-19-16(15-8-4-5-9-17(15)24-20)12-27(26-19)14-6-2-1-3-7-14/h1-13H,(H,24,25,28)
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210n/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 by scintillation counting


Bioorg Med Chem 17: 401-10 (2008)


Article DOI: 10.1016/j.bmc.2008.10.018
BindingDB Entry DOI: 10.7270/Q21N810X
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50254694
PNG
(CHEMBL465945 | N-(2-phenyl-2H-pyrazolo[3,4-c]quino...)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
Show InChI InChI=1S/C24H15F3N4O/c25-24(26,27)16-12-10-15(11-13-16)23(32)29-22-21-19(18-8-4-5-9-20(18)28-22)14-31(30-21)17-6-2-1-3-7-17/h1-14H,(H,28,29,32)
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415n/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 by scintillation counting


Bioorg Med Chem 17: 401-10 (2008)


Article DOI: 10.1016/j.bmc.2008.10.018
BindingDB Entry DOI: 10.7270/Q21N810X
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50254735
PNG
(2-(4-(trifluoromethyl)phenyl)-2H-pyrazolo[3,4-c]qu...)
Show SMILES FC(F)(F)c1ccc(cc1)-n1cc2c(n1)c(=O)[nH]c1ccccc21
Show InChI InChI=1S/C17H10F3N3O/c18-17(19,20)10-5-7-11(8-6-10)23-9-13-12-3-1-2-4-14(12)21-16(24)15(13)22-23/h1-9H,(H,21,24)
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480n/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 by scintillation counting


Bioorg Med Chem 17: 401-10 (2008)


Article DOI: 10.1016/j.bmc.2008.10.018
BindingDB Entry DOI: 10.7270/Q21N810X
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50245931
PNG
(5-methyl-N-(2-phenyl-2H-pyrazolo[3,4-c]quinolin-4-...)
Show SMILES Cc1ccc(o1)C(=O)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
Show InChI InChI=1S/C22H16N4O2/c1-14-11-12-19(28-14)22(27)24-21-20-17(16-9-5-6-10-18(16)23-21)13-26(25-20)15-7-3-2-4-8-15/h2-13H,1H3,(H,23,24,27)
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500n/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 by scintillation counting


Bioorg Med Chem 17: 401-10 (2008)


Article DOI: 10.1016/j.bmc.2008.10.018
BindingDB Entry DOI: 10.7270/Q21N810X
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 by scintillation counting


Bioorg Med Chem 17: 401-10 (2008)


Article DOI: 10.1016/j.bmc.2008.10.018
BindingDB Entry DOI: 10.7270/Q21N810X
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50254613
PNG
(CHEMBL481395 | N-(2-phenyl-2H-pyrazolo[3,4-c]quino...)
Show SMILES O=C(Nc1nc2ccccc2c2cn(nc12)-c1ccccc1)c1ncccn1
Show InChI InChI=1S/C21H14N6O/c28-21(20-22-11-6-12-23-20)25-19-18-16(15-9-4-5-10-17(15)24-19)13-27(26-18)14-7-2-1-3-8-14/h1-13H,(H,24,25,28)
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945n/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 by scintillation counting


Bioorg Med Chem 17: 401-10 (2008)


Article DOI: 10.1016/j.bmc.2008.10.018
BindingDB Entry DOI: 10.7270/Q21N810X
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(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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2.68E+3n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 17: 401-10 (2008)


Article DOI: 10.1016/j.bmc.2008.10.018
BindingDB Entry DOI: 10.7270/Q21N810X
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50245929
PNG
(CHEMBL517867 | N-(2-phenyl-2H-pyrazolo[3,4-c]quino...)
Show SMILES O=C(Nc1nc2ccccc2c2cn(nc12)-c1ccccc1)c1ccco1
Show InChI InChI=1S/C21H14N4O2/c26-21(18-11-6-12-27-18)23-20-19-16(15-9-4-5-10-17(15)22-20)13-25(24-19)14-7-2-1-3-8-14/h1-13H,(H,22,23,26)
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n/an/a 21n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A3 receptor expressed in CHO cells assessed as inhibition of CI-IB-MECA-mediated inhibition of cAMP accumulati...


Bioorg Med Chem 17: 401-10 (2008)


Article DOI: 10.1016/j.bmc.2008.10.018
BindingDB Entry DOI: 10.7270/Q21N810X
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50254695
PNG
(3-methyl-N-(2-phenyl-2H-pyrazolo[3,4-c]quinolin-4-...)
Show SMILES Cc1cccc(c1)C(=O)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
Show InChI InChI=1S/C24H18N4O/c1-16-8-7-9-17(14-16)24(29)26-23-22-20(19-12-5-6-13-21(19)25-23)15-28(27-22)18-10-3-2-4-11-18/h2-15H,1H3,(H,25,26,29)
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n/an/a 26n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A3 receptor expressed in CHO cells assessed as inhibition of CI-IB-MECA-mediated inhibition of cAMP accumulati...


Bioorg Med Chem 17: 401-10 (2008)


Article DOI: 10.1016/j.bmc.2008.10.018
BindingDB Entry DOI: 10.7270/Q21N810X
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50254612
PNG
(CHEMBL454780 | N-(2-phenyl-2H-pyrazolo[3,4-c]quino...)
Show SMILES O=C(Nc1nc2ccccc2c2cn(nc12)-c1ccccc1)c1ccncc1
Show InChI InChI=1S/C22H15N5O/c28-22(15-10-12-23-13-11-15)25-21-20-18(17-8-4-5-9-19(17)24-21)14-27(26-20)16-6-2-1-3-7-16/h1-14H,(H,24,25,28)
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n/an/a 41n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A3 receptor expressed in CHO cells assessed as inhibition of CI-IB-MECA-mediated inhibition of cAMP accumulati...


Bioorg Med Chem 17: 401-10 (2008)


Article DOI: 10.1016/j.bmc.2008.10.018
BindingDB Entry DOI: 10.7270/Q21N810X
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50245931
PNG
(5-methyl-N-(2-phenyl-2H-pyrazolo[3,4-c]quinolin-4-...)
Show SMILES Cc1ccc(o1)C(=O)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
Show InChI InChI=1S/C22H16N4O2/c1-14-11-12-19(28-14)22(27)24-21-20-17(16-9-5-6-10-18(16)23-21)13-26(25-20)15-7-3-2-4-8-15/h2-13H,1H3,(H,23,24,27)
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n/an/a 49n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A3 receptor expressed in CHO cells assessed as inhibition of CI-IB-MECA-mediated inhibition of cAMP accumulati...


Bioorg Med Chem 17: 401-10 (2008)


Article DOI: 10.1016/j.bmc.2008.10.018
BindingDB Entry DOI: 10.7270/Q21N810X
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50254734
PNG
(4-methyl-N-(2-phenyl-2H-pyrazolo[3,4-c]quinolin-4-...)
Show SMILES Cc1ccc(cc1)C(=O)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
Show InChI InChI=1S/C24H18N4O/c1-16-11-13-17(14-12-16)24(29)26-23-22-20(19-9-5-6-10-21(19)25-23)15-28(27-22)18-7-3-2-4-8-18/h2-15H,1H3,(H,25,26,29)
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n/an/a 54n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A3 receptor expressed in CHO cells assessed as inhibition of CI-IB-MECA-mediated inhibition of cAMP accumulati...


Bioorg Med Chem 17: 401-10 (2008)


Article DOI: 10.1016/j.bmc.2008.10.018
BindingDB Entry DOI: 10.7270/Q21N810X
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50254611
PNG
(CHEMBL519614 | N-(2-phenyl-2H-pyrazolo[3,4-c]quino...)
Show SMILES O=C(Nc1nc2ccccc2c2cn(nc12)-c1ccccc1)c1cccnc1
Show InChI InChI=1S/C22H15N5O/c28-22(15-7-6-12-23-13-15)25-21-20-18(17-10-4-5-11-19(17)24-21)14-27(26-20)16-8-2-1-3-9-16/h1-14H,(H,24,25,28)
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n/an/a 76n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A3 receptor expressed in CHO cells assessed as inhibition of CI-IB-MECA-mediated inhibition of cAMP accumulati...


Bioorg Med Chem 17: 401-10 (2008)


Article DOI: 10.1016/j.bmc.2008.10.018
BindingDB Entry DOI: 10.7270/Q21N810X
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50254650
PNG
(CHEMBL464040 | N-(2-(4-chlorophenyl)-2H-pyrazolo[3...)
Show SMILES Clc1ccc(cc1)-n1cc2c(n1)c(NC(=O)c1ccco1)nc1ccccc21
Show InChI InChI=1S/C21H13ClN4O2/c22-13-7-9-14(10-8-13)26-12-16-15-4-1-2-5-17(15)23-20(19(16)25-26)24-21(27)18-6-3-11-28-18/h1-12H,(H,23,24,27)
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n/an/a 83n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A3 receptor expressed in CHO cells assessed as inhibition of CI-IB-MECA-mediated inhibition of cAMP accumulati...


Bioorg Med Chem 17: 401-10 (2008)


Article DOI: 10.1016/j.bmc.2008.10.018
BindingDB Entry DOI: 10.7270/Q21N810X
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50254610
PNG
(CHEMBL520122 | N-(2-phenyl-2H-pyrazolo[3,4-c]quino...)
Show SMILES O=C(Nc1nc2ccccc2c2cn(nc12)-c1ccccc1)c1ccccn1
Show InChI InChI=1S/C22H15N5O/c28-22(19-12-6-7-13-23-19)25-21-20-17(16-10-4-5-11-18(16)24-21)14-27(26-20)15-8-2-1-3-9-15/h1-14H,(H,24,25,28)
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n/an/a 107n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A3 receptor expressed in CHO cells assessed as inhibition of CI-IB-MECA-mediated inhibition of cAMP accumulati...


Bioorg Med Chem 17: 401-10 (2008)


Article DOI: 10.1016/j.bmc.2008.10.018
BindingDB Entry DOI: 10.7270/Q21N810X
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50254651
PNG
(CHEMBL516851 | N-(2-(4-chlorophenyl)-2H-pyrazolo[3...)
Show SMILES Clc1ccc(cc1)-n1cc2c(n1)c(NC(=O)c1ccncc1)nc1ccccc21
Show InChI InChI=1S/C22H14ClN5O/c23-15-5-7-16(8-6-15)28-13-18-17-3-1-2-4-19(17)25-21(20(18)27-28)26-22(29)14-9-11-24-12-10-14/h1-13H,(H,25,26,29)
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n/an/a 145n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A3 receptor expressed in CHO cells assessed as inhibition of CI-IB-MECA-mediated inhibition of cAMP accumulati...


Bioorg Med Chem 17: 401-10 (2008)


Article DOI: 10.1016/j.bmc.2008.10.018
BindingDB Entry DOI: 10.7270/Q21N810X
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%