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Compile Data Set for Download or QSAR

Found 663 hits with Last Name = 'poli' and Initial = 'd'   
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))
BDBM50053929
PNG
(CHEMBL88147 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tria...)
Show SMILES Clc1ccc2nc(NC(=O)Cc3ccccc3)n3nc(nc3c2c1)-c1ccco1
Show InChI InChI=1S/C21H14ClN5O2/c22-14-8-9-16-15(12-14)20-25-19(17-7-4-10-29-17)26-27(20)21(23-16)24-18(28)11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,23,24,28)
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0.650n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant adenosine A3 receptor


Bioorg Med Chem 23: 9-21 (2014)


Article DOI: 10.1016/j.bmc.2014.11.033
BindingDB Entry DOI: 10.7270/Q24B32XC
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50341606
PNG
(1-(2,5-dimethoxyphenyl)-3-(4-oxo-3-phenyl-3,4-dihy...)
Show SMILES COc1ccc(OC)c(NC(=O)Nc2nn(-c3ccccc3)c(=O)c3ccccc23)c1
Show InChI InChI=1S/C23H20N4O4/c1-30-16-12-13-20(31-2)19(14-16)24-23(29)25-21-17-10-6-7-11-18(17)22(28)27(26-21)15-8-4-3-5-9-15/h3-14H,1-2H3,(H2,24,25,26,29)
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0.776n/an/an/an/an/an/an/an/a



Universita` degli Studi di Firenze

Curated by ChEMBL


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


J Med Chem 54: 2102-13 (2011)


Article DOI: 10.1021/jm101328n
BindingDB Entry DOI: 10.7270/Q2P84C7S
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50300681
PNG
(2-(4-methoxyphenyl)-5-methyl-2H-pyrazolo[4,3-d]pyr...)
Show SMILES COc1ccc(cc1)-n1cc2nc(C)[nH]c(=O)c2n1
Show InChI InChI=1S/C13H12N4O2/c1-8-14-11-7-17(16-12(11)13(18)15-8)9-3-5-10(19-2)6-4-9/h3-7H,1-2H3,(H,14,15,18)
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1.20n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counting


J Med Chem 52: 7640-52 (2009)


Article DOI: 10.1021/jm900718w
BindingDB Entry DOI: 10.7270/Q26T0MP5
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM21190
PNG
(4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...)
Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)
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1.20n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]Z241385 from human cloned adenosine A2A receptor expressed in CHO cells after 120 mins by scintillation counting


J Med Chem 52: 7640-52 (2009)


Article DOI: 10.1021/jm900718w
BindingDB Entry DOI: 10.7270/Q26T0MP5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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))
BDBM50300681
PNG
(2-(4-methoxyphenyl)-5-methyl-2H-pyrazolo[4,3-d]pyr...)
Show SMILES COc1ccc(cc1)-n1cc2nc(C)[nH]c(=O)c2n1
Show InChI InChI=1S/C13H12N4O2/c1-8-14-11-7-17(16-12(11)13(18)15-8)9-3-5-10(19-2)6-4-9/h3-7H,1-2H3,(H,14,15,18)
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5.20n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned adenosine A3 receptor expressed in CHO cells assessed as inhibition of Cl-IB-MECA-inhibited [3H]cAMP production b...


J Med Chem 52: 7640-52 (2009)


Article DOI: 10.1021/jm900718w
BindingDB Entry DOI: 10.7270/Q26T0MP5
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))
BDBM50041209
PNG
(CHEMBL3355971)
Show SMILES CCC(=O)N1Cc2nc(nn2-c2cc(C)ccc12)-c1ccccc1
Show InChI InChI=1S/C19H18N4O/c1-3-18(24)22-12-17-20-19(14-7-5-4-6-8-14)21-23(17)16-11-13(2)9-10-15(16)22/h4-11H,3,12H2,1-2H3
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6.5n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 9-21 (2014)


Article DOI: 10.1016/j.bmc.2014.11.033
BindingDB Entry DOI: 10.7270/Q24B32XC
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))
BDBM50341605
PNG
(4-(2-Methoxyphenyl)ureido-2-phenylphthalazin-1(2H)...)
Show SMILES COc1ccccc1NC(=O)Nc1nn(-c2ccccc2)c(=O)c2ccccc12
Show InChI InChI=1S/C22H18N4O3/c1-29-19-14-8-7-13-18(19)23-22(28)24-20-16-11-5-6-12-17(16)21(27)26(25-20)15-9-3-2-4-10-15/h2-14H,1H3,(H2,23,24,25,28)
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8.90n/an/an/an/an/an/an/an/a



Universita` degli Studi di Firenze

Curated by ChEMBL


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


J Med Chem 54: 2102-13 (2011)


Article DOI: 10.1021/jm101328n
BindingDB Entry DOI: 10.7270/Q2P84C7S
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50341604
PNG
(1-(3-methoxyphenyl)-3-(4-oxo-3-phenyl-3,4-dihydrop...)
Show SMILES COc1cccc(NC(=O)Nc2nn(-c3ccccc3)c(=O)c3ccccc23)c1
Show InChI InChI=1S/C22H18N4O3/c1-29-17-11-7-8-15(14-17)23-22(28)24-20-18-12-5-6-13-19(18)21(27)26(25-20)16-9-3-2-4-10-16/h2-14H,1H3,(H2,23,24,25,28)
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9.75n/an/an/an/an/an/an/an/a



Universita` degli Studi di Firenze

Curated by ChEMBL


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


J Med Chem 54: 2102-13 (2011)


Article DOI: 10.1021/jm101328n
BindingDB Entry DOI: 10.7270/Q2P84C7S
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50300684
PNG
(5-methyl-2-p-tolyl-2H-pyrazolo[4,3-d]pyrimidin-7(6...)
Show SMILES Cc1ccc(cc1)-n1cc2nc(C)[nH]c(=O)c2n1
Show InChI InChI=1S/C13H12N4O/c1-8-3-5-10(6-4-8)17-7-11-12(16-17)13(18)15-9(2)14-11/h3-7H,1-2H3,(H,14,15,18)
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10n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counting


J Med Chem 52: 7640-52 (2009)


Article DOI: 10.1021/jm900718w
BindingDB Entry DOI: 10.7270/Q26T0MP5
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))
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))
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))
BDBM50041207
PNG
(CHEMBL3355973)
Show SMILES CCOC(=O)N1Cc2nc(nn2-c2cc(C)ccc12)-c1ccccc1
Show InChI InChI=1S/C19H18N4O2/c1-3-25-19(24)22-12-17-20-18(14-7-5-4-6-8-14)21-23(17)16-11-13(2)9-10-15(16)22/h4-11H,3,12H2,1-2H3
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13n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 9-21 (2014)


Article DOI: 10.1016/j.bmc.2014.11.033
BindingDB Entry DOI: 10.7270/Q24B32XC
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50300682
PNG
(5-ethyl-2-(4-methoxyphenyl)-2H-pyrazolo[4,3-d]pyri...)
Show SMILES CCc1nc2cn(nc2c(=O)[nH]1)-c1ccc(OC)cc1
Show InChI InChI=1S/C14H14N4O2/c1-3-12-15-11-8-18(17-13(11)14(19)16-12)9-4-6-10(20-2)7-5-9/h4-8H,3H2,1-2H3,(H,15,16,19)
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14n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counting


J Med Chem 52: 7640-52 (2009)


Article DOI: 10.1021/jm900718w
BindingDB Entry DOI: 10.7270/Q26T0MP5
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50041233
PNG
(CHEMBL3356371)
Show SMILES Clc1ccc2ncc3nc(nn3c2c1)-c1ccccc1
Show InChI InChI=1S/C15H9ClN4/c16-11-6-7-12-13(8-11)20-14(9-17-12)18-15(19-20)10-4-2-1-3-5-10/h1-9H
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15n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 9-21 (2014)


Article DOI: 10.1016/j.bmc.2014.11.033
BindingDB Entry DOI: 10.7270/Q24B32XC
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))
BDBM50300678
PNG
(5-methyl-2-phenyl-2H-pyrazolo[4,3-d]pyrimidin-7(6H...)
Show SMILES Cc1nc2cn(nc2c(=O)[nH]1)-c1ccccc1
Show InChI InChI=1S/C12H10N4O/c1-8-13-10-7-16(9-5-3-2-4-6-9)15-11(10)12(17)14-8/h2-7H,1H3,(H,13,14,17)
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16n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counting


J Med Chem 52: 7640-52 (2009)


Article DOI: 10.1021/jm900718w
BindingDB Entry DOI: 10.7270/Q26T0MP5
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50041283
PNG
(CHEMBL3355977)
Show SMILES COc1ccc(cc1)-c1nc2CN(C(=O)OCC#C)c3ccc(C)cc3-n2n1
Show InChI InChI=1S/C21H18N4O3/c1-4-11-28-21(26)24-13-19-22-20(15-6-8-16(27-3)9-7-15)23-25(19)18-12-14(2)5-10-17(18)24/h1,5-10,12H,11,13H2,2-3H3
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23n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 9-21 (2014)


Article DOI: 10.1016/j.bmc.2014.11.033
BindingDB Entry DOI: 10.7270/Q24B32XC
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50052293
PNG
(2-(4-Chloro-phenyl)-6H-pyrazolo[1,5-c]quinazolin-5...)
Show SMILES Clc1ccc(cc1)-c1cc2c3ccccc3[nH]c(=O)n2n1
Show InChI InChI=1S/C16H10ClN3O/c17-11-7-5-10(6-8-11)14-9-15-12-3-1-2-4-13(12)18-16(21)20(15)19-14/h1-9H,(H,18,21)
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23n/an/an/an/an/an/an/an/a



Universita' 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 21: 283-94 (2012)


Article DOI: 10.1016/j.bmc.2012.10.031
BindingDB Entry DOI: 10.7270/Q21837TG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50041213
PNG
(CHEMBL3356373)
Show SMILES Cc1ccc2ncc3nc(nn3c2c1)-c1ccccc1
Show InChI InChI=1S/C16H12N4/c1-11-7-8-13-14(9-11)20-15(10-17-13)18-16(19-20)12-5-3-2-4-6-12/h2-10H,1H3
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24n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 9-21 (2014)


Article DOI: 10.1016/j.bmc.2014.11.033
BindingDB Entry DOI: 10.7270/Q24B32XC
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))
BDBM50041205
PNG
(CHEMBL3355975)
Show SMILES CCC(=O)N1Cc2nc(nn2-c2cc(C)ccc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C20H20N4O2/c1-4-19(25)23-12-18-21-20(14-6-8-15(26-3)9-7-14)22-24(18)17-11-13(2)5-10-16(17)23/h5-11H,4,12H2,1-3H3
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25n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 9-21 (2014)


Article DOI: 10.1016/j.bmc.2014.11.033
BindingDB Entry DOI: 10.7270/Q24B32XC
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50052289
PNG
(2-p-Tolyl-6H-pyrazolo[1,5-c]quinazolin-5-one | CHE...)
Show SMILES Cc1ccc(cc1)-c1cc2c3ccccc3[nH]c(=O)n2n1
Show InChI InChI=1S/C17H13N3O/c1-11-6-8-12(9-7-11)15-10-16-13-4-2-3-5-14(13)18-17(21)20(16)19-15/h2-10H,1H3,(H,18,21)
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25n/an/an/an/an/an/an/an/a



Universita' 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 21: 283-94 (2012)


Article DOI: 10.1016/j.bmc.2012.10.031
BindingDB Entry DOI: 10.7270/Q21837TG
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50259308
PNG
(CHEMBL4068878)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(cn2cc(nc12)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C26H20N4O2/c1-32-21-14-12-20(13-15-21)26(31)29-24-25-28-23(19-10-6-3-7-11-19)17-30(25)16-22(27-24)18-8-4-2-5-9-18/h2-17H,1H3,(H,27,29,31)
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25n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes after 120 mins by scintillation counting method


Eur J Med Chem 125: 611-628 (2017)


BindingDB Entry DOI: 10.7270/Q2VM4FPF
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50041212
PNG
(CHEMBL3356374)
Show SMILES COc1ccc(cc1)-c1nc2cnc3ccc(C)cc3n2n1
Show InChI InChI=1S/C17H14N4O/c1-11-3-8-14-15(9-11)21-16(10-18-14)19-17(20-21)12-4-6-13(22-2)7-5-12/h3-10H,1-2H3
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27n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 9-21 (2014)


Article DOI: 10.1016/j.bmc.2014.11.033
BindingDB Entry DOI: 10.7270/Q24B32XC
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50341607
PNG
(1-benzyl-3-(4-oxo-3-phenyl-3,4-dihydrophthalazin-1...)
Show SMILES O=C(NCc1ccccc1)Nc1nn(-c2ccccc2)c(=O)c2ccccc12
Show InChI InChI=1S/C22H18N4O2/c27-21-19-14-8-7-13-18(19)20(25-26(21)17-11-5-2-6-12-17)24-22(28)23-15-16-9-3-1-4-10-16/h1-14H,15H2,(H2,23,24,25,28)
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29.6n/an/an/an/an/an/an/an/a



Universita` degli Studi di Firenze

Curated by ChEMBL


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


J Med Chem 54: 2102-13 (2011)


Article DOI: 10.1021/jm101328n
BindingDB Entry DOI: 10.7270/Q2P84C7S
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50041208
PNG
(CHEMBL3355972)
Show SMILES COC(=O)N1Cc2nc(nn2-c2cc(C)ccc12)-c1ccccc1
Show InChI InChI=1S/C18H16N4O2/c1-12-8-9-14-15(10-12)22-16(11-21(14)18(23)24-2)19-17(20-22)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
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32n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 9-21 (2014)


Article DOI: 10.1016/j.bmc.2014.11.033
BindingDB Entry DOI: 10.7270/Q24B32XC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50423914
PNG
(CHEMBL2312725)
Show SMILES Nc1nc2ccccc2c2cc(nn12)-c1ccco1
Show InChI InChI=1S/C14H10N4O/c15-14-16-10-5-2-1-4-9(10)12-8-11(17-18(12)14)13-6-3-7-19-13/h1-8H,(H2,15,16)
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35n/an/an/an/an/an/an/an/a



Universita' 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 21: 283-94 (2012)


Article DOI: 10.1016/j.bmc.2012.10.031
BindingDB Entry DOI: 10.7270/Q21837TG
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50259310
PNG
(CHEMBL4091060)
Show SMILES Fc1ccc(cc1)C(=O)Nc1nc(cn2cc(nc12)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C25H17FN4O/c26-20-13-11-19(12-14-20)25(31)29-23-24-28-22(18-9-5-2-6-10-18)16-30(24)15-21(27-23)17-7-3-1-4-8-17/h1-16H,(H,27,29,31)
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38n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes after 120 mins by scintillation counting method


Eur J Med Chem 125: 611-628 (2017)


BindingDB Entry DOI: 10.7270/Q2VM4FPF
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50041204
PNG
(CHEMBL3355976)
Show SMILES CCOC(=O)N1Cc2nc(nn2-c2cc(C)ccc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C20H20N4O3/c1-4-27-20(25)23-12-18-21-19(14-6-8-15(26-3)9-7-14)22-24(18)17-11-13(2)5-10-16(17)23/h5-11H,4,12H2,1-3H3
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39n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 9-21 (2014)


Article DOI: 10.1016/j.bmc.2014.11.033
BindingDB Entry DOI: 10.7270/Q24B32XC
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50052294
PNG
(2-Thiophen-2-yl-6H-pyrazolo[1,5-c]quinazolin-5-one...)
Show SMILES O=c1[nH]c2ccccc2c2cc(nn12)-c1cccs1
Show InChI InChI=1S/C14H9N3OS/c18-14-15-10-5-2-1-4-9(10)12-8-11(16-17(12)14)13-6-3-7-19-13/h1-8H,(H,15,18)
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40n/an/an/an/an/an/an/an/a



Universita' 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 21: 283-94 (2012)


Article DOI: 10.1016/j.bmc.2012.10.031
BindingDB Entry DOI: 10.7270/Q21837TG
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 A2b


(Homo sapiens (Human))
BDBM21190
PNG
(4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...)
Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)
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42n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated [3H]cAMP production by scintilla...


J Med Chem 52: 7640-52 (2009)


Article DOI: 10.1021/jm900718w
BindingDB Entry DOI: 10.7270/Q26T0MP5
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50300684
PNG
(5-methyl-2-p-tolyl-2H-pyrazolo[4,3-d]pyrimidin-7(6...)
Show SMILES Cc1ccc(cc1)-n1cc2nc(C)[nH]c(=O)c2n1
Show InChI InChI=1S/C13H12N4O/c1-8-3-5-10(6-4-8)17-7-11-12(16-17)13(18)15-9(2)14-11/h3-7H,1-2H3,(H,14,15,18)
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46n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned adenosine A3 receptor expressed in CHO cells assessed as inhibition of Cl-IB-MECA-inhibited [3H]cAMP production b...


J Med Chem 52: 7640-52 (2009)


Article DOI: 10.1021/jm900718w
BindingDB Entry DOI: 10.7270/Q26T0MP5
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 A1 receptor


(BOVINE)
BDBM50086145
PNG
(1-(1-Oxo-2-phenyl-1,2-dihydro-[1,2,4]triazolo[4,3-...)
Show SMILES O=C(Nc1ccccc1)Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O
Show InChI InChI=1S/C22H16N6O2/c29-21(23-15-9-3-1-4-10-15)25-19-20-26-28(16-11-5-2-6-12-16)22(30)27(20)18-14-8-7-13-17(18)24-19/h1-14H,(H2,23,24,25,29)
PDB

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50.8n/an/an/an/an/an/an/an/a



Universita` degli Studi di Firenze

Curated by ChEMBL


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


J Med Chem 54: 2102-13 (2011)


Article DOI: 10.1021/jm101328n
BindingDB Entry DOI: 10.7270/Q2P84C7S
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50259303
PNG
(CHEMBL4092103)
Show SMILES O=C(Nc1nccn2cc(nc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H14N4O/c24-19(15-9-5-2-6-10-15)22-17-18-21-16(13-23(18)12-11-20-17)14-7-3-1-4-8-14/h1-13H,(H,20,22,24)
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52n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes after 120 mins by scintillation counting method


Eur J Med Chem 125: 611-628 (2017)


BindingDB Entry DOI: 10.7270/Q2VM4FPF
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 A3


(Homo sapiens (Human))
BDBM50300679
PNG
(5-ethyl-2-phenyl-2H-pyrazolo[4,3-d]pyrimidin-7(6H)...)
Show SMILES CCc1nc2cn(nc2c(=O)[nH]1)-c1ccccc1
Show InChI InChI=1S/C13H12N4O/c1-2-11-14-10-8-17(9-6-4-3-5-7-9)16-12(10)13(18)15-11/h3-8H,2H2,1H3,(H,14,15,18)
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52n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counting


J Med Chem 52: 7640-52 (2009)


Article DOI: 10.1021/jm900718w
BindingDB Entry DOI: 10.7270/Q26T0MP5
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50259315
PNG
(CHEMBL4069012)
Show SMILES O=C(Nc1nc(cn2cc(nc12)-c1ccccc1)-c1ccccc1)c1cccnc1
Show InChI InChI=1S/C24H17N5O/c30-24(19-12-7-13-25-14-19)28-22-23-27-21(18-10-5-2-6-11-18)16-29(23)15-20(26-22)17-8-3-1-4-9-17/h1-16H,(H,26,28,30)
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54n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes after 120 mins by scintillation counting method


Eur J Med Chem 125: 611-628 (2017)


BindingDB Entry DOI: 10.7270/Q2VM4FPF
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50300680
PNG
(2-(4-methoxyphenyl)-2H-pyrazolo[4,3-d]pyrimidin-7(...)
Show SMILES COc1ccc(cc1)-n1cc2nc[nH]c(=O)c2n1
Show InChI InChI=1S/C12H10N4O2/c1-18-9-4-2-8(3-5-9)16-6-10-11(15-16)12(17)14-7-13-10/h2-7H,1H3,(H,13,14,17)
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54n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counting


J Med Chem 52: 7640-52 (2009)


Article DOI: 10.1021/jm900718w
BindingDB Entry DOI: 10.7270/Q26T0MP5
More data for this
Ligand-Target Pair
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