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Compile Data Set for Download or QSAR

Found 956 hits with Last Name = 'paoletta' and Initial = 's'   
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))
BDBM50315643
PNG
(CHEMBL1091268 | N-[2-(Phenyl)-8-methylpyrazolo[4,3...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccccc1
Show InChI InChI=1S/C21H17N7O/c1-27-13-16-19(25-27)24-21(22-17(29)12-14-8-4-2-5-9-14)28-20(16)23-18(26-28)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,22,24,25,29)
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0.108n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in CHO cells


J Med Chem 53: 3361-75 (2010)


Article DOI: 10.1021/jm100049f
BindingDB Entry DOI: 10.7270/Q2DR2VNJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50355170
PNG
(CHEMBL1834703)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccc(cc1)-c1ccco1
Show InChI InChI=1S/C24H18N8O2/c1-31-14-18-21(29-31)27-23(28-24(33)25-17-6-3-2-4-7-17)32-22(18)26-20(30-32)16-11-9-15(10-12-16)19-8-5-13-34-19/h2-14H,1H3,(H2,25,27,28,29,33)
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0.160n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 3 hrs


Bioorg Med Chem 19: 6120-34 (2011)


Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50355171
PNG
(CHEMBL1834704)
Show SMILES COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccc(cc2)-c2ccco2)cc1
Show InChI InChI=1S/C25H20N8O3/c1-32-14-19-22(30-32)28-24(29-25(34)26-17-9-11-18(35-2)12-10-17)33-23(19)27-21(31-33)16-7-5-15(6-8-16)20-4-3-13-36-20/h3-14H,1-2H3,(H2,26,28,29,30,34)
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0.200n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 3 hrs


Bioorg Med Chem 19: 6120-34 (2011)


Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50315644
PNG
(CHEMBL1091640 | N-[2-(4-Fluorophenyl)-8-methylpyra...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccc(F)cc1
Show InChI InChI=1S/C21H16FN7O/c1-28-12-16-19(26-28)25-21(23-17(30)11-13-5-3-2-4-6-13)29-20(16)24-18(27-29)14-7-9-15(22)10-8-14/h2-10,12H,11H2,1H3,(H,23,25,26,30)
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0.201n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in CHO cells


J Med Chem 53: 3361-75 (2010)


Article DOI: 10.1021/jm100049f
BindingDB Entry DOI: 10.7270/Q2DR2VNJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50315647
PNG
(CHEMBL1091938 | N-[2-(4-Methoxyphenyl)-8-methylpyr...)
Show SMILES COc1ccc(cc1)-c1nc2c3cn(C)nc3nc(NC(=O)Cc3ccccc3)n2n1
Show InChI InChI=1S/C22H19N7O2/c1-28-13-17-20(26-28)25-22(23-18(30)12-14-6-4-3-5-7-14)29-21(17)24-19(27-29)15-8-10-16(31-2)11-9-15/h3-11,13H,12H2,1-2H3,(H,23,25,26,30)
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0.241n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in CHO cells


J Med Chem 53: 3361-75 (2010)


Article DOI: 10.1021/jm100049f
BindingDB Entry DOI: 10.7270/Q2DR2VNJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50315645
PNG
(CHEMBL1091641 | N-[2-(4-Chlorophenyl)-8-methylpyra...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H16ClN7O/c1-28-12-16-19(26-28)25-21(23-17(30)11-13-5-3-2-4-6-13)29-20(16)24-18(27-29)14-7-9-15(22)10-8-14/h2-10,12H,11H2,1H3,(H,23,25,26,30)
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0.248n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in CHO cells


J Med Chem 53: 3361-75 (2010)


Article DOI: 10.1021/jm100049f
BindingDB Entry DOI: 10.7270/Q2DR2VNJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50399572
PNG
(CHEMBL2180931)
Show SMILES C[C@H](Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1)c1ccccc1
Show InChI InChI=1/C19H17N7O/c1-12(13-7-4-3-5-8-13)20-19-22-16-14(11-25(2)23-16)18-21-17(24-26(18)19)15-9-6-10-27-15/h3-12H,1-2H3,(H,20,22,23)/t12-/s2
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0.300n/an/an/an/an/an/an/an/a



Universit£ di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane


J Med Chem 55: 9654-68 (2012)


Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50315646
PNG
(CHEMBL1091937 | N-[2-(4-Bromophenyl)-8-methylpyraz...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccc(Br)cc1
Show InChI InChI=1S/C21H16BrN7O/c1-28-12-16-19(26-28)25-21(23-17(30)11-13-5-3-2-4-6-13)29-20(16)24-18(27-29)14-7-9-15(22)10-8-14/h2-10,12H,11H2,1H3,(H,23,25,26,30)
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0.345n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in CHO cells


J Med Chem 53: 3361-75 (2010)


Article DOI: 10.1021/jm100049f
BindingDB Entry DOI: 10.7270/Q2DR2VNJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50069813
PNG
(CHEMBL3407785)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(Br)s1
Show InChI InChI=1/C20H19BrN6O3S/c1-22-17-13-18(26-12(25-17)6-4-9-3-5-11(21)31-9)27(8-24-13)14-10-7-20(10,19(30)23-2)16(29)15(14)28/h3,5,8,10,14-16,28-29H,7H2,1-2H3,(H,23,30)(H,22,25,26)/t10-,14-,15+,16+,20+/s2
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0.440n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human recombinant A3 adenosine receptor expressed in CHO cells after 60 mins by liquid scintillation counting


J Med Chem 57: 9901-14 (2014)


Article DOI: 10.1021/jm501021n
BindingDB Entry DOI: 10.7270/Q2S1846G
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50069988
PNG
(CHEMBL3407782)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#Cc1ccsc1
Show InChI InChI=1/C20H20N6O3S/c1-21-17-13-18(25-12(24-17)4-3-10-5-6-30-8-10)26(9-23-13)14-11-7-20(11,19(29)22-2)16(28)15(14)27/h5-6,8-9,11,14-16,27-28H,7H2,1-2H3,(H,22,29)(H,21,24,25)/t11-,14-,15+,16+,20+/s2
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0.520n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human recombinant A3 adenosine receptor expressed in CHO cells after 60 mins by liquid scintillation counting


J Med Chem 57: 9901-14 (2014)


Article DOI: 10.1021/jm501021n
BindingDB Entry DOI: 10.7270/Q2S1846G
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50389134
PNG
(CHEMBL2064639)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(F)cc1
Show InChI InChI=1/C22H21FN6O3/c1-24-19-15-20(28-14(27-19)8-5-11-3-6-12(23)7-4-11)29(10-26-15)16-13-9-22(13,21(32)25-2)18(31)17(16)30/h3-4,6-7,10,13,16-18,30-31H,9H2,1-2H3,(H,25,32)(H,24,27,28)/t13-,16-,17+,18+,22+/s2
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0.530n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human recombinant A3 adenosine receptor expressed in CHO cells after 60 mins by liquid scintillation counting


J Med Chem 57: 9901-14 (2014)


Article DOI: 10.1021/jm501021n
BindingDB Entry DOI: 10.7270/Q2S1846G
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50069857
PNG
(CHEMBL3407783)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#Cc1cccs1
Show InChI InChI=1/C20H20N6O3S/c1-21-17-13-18(25-12(24-17)6-5-10-4-3-7-30-10)26(9-23-13)14-11-8-20(11,19(29)22-2)16(28)15(14)27/h3-4,7,9,11,14-16,27-28H,8H2,1-2H3,(H,22,29)(H,21,24,25)/t11-,14-,15+,16+,20+/s2
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0.570n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human recombinant A3 adenosine receptor expressed in CHO cells after 60 mins by liquid scintillation counting


J Med Chem 57: 9901-14 (2014)


Article DOI: 10.1021/jm501021n
BindingDB Entry DOI: 10.7270/Q2S1846G
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50389135
PNG
(CHEMBL2064640)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#Cc1ccccc1Cl
Show InChI InChI=1/C22H21ClN6O3/c1-24-19-15-20(28-14(27-19)8-7-11-5-3-4-6-13(11)23)29(10-26-15)16-12-9-22(12,21(32)25-2)18(31)17(16)30/h3-6,10,12,16-18,30-31H,9H2,1-2H3,(H,25,32)(H,24,27,28)/t12-,16-,17+,18+,22+/s2
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0.580n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human recombinant A3 adenosine receptor expressed in CHO cells after 60 mins by liquid scintillation counting


J Med Chem 57: 9901-14 (2014)


Article DOI: 10.1021/jm501021n
BindingDB Entry DOI: 10.7270/Q2S1846G
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50069982
PNG
(CHEMBL3407778)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#Cc1ccco1
Show InChI InChI=1/C20H20N6O4/c1-21-17-13-18(25-12(24-17)6-5-10-4-3-7-30-10)26(9-23-13)14-11-8-20(11,19(29)22-2)16(28)15(14)27/h3-4,7,9,11,14-16,27-28H,8H2,1-2H3,(H,22,29)(H,21,24,25)/t11-,14-,15+,16+,20+/s2
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0.620n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human recombinant A3 adenosine receptor expressed in CHO cells after 60 mins by liquid scintillation counting


J Med Chem 57: 9901-14 (2014)


Article DOI: 10.1021/jm501021n
BindingDB Entry DOI: 10.7270/Q2S1846G
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50315648
PNG
(CHEMBL1090461 | N-[2-(4-Nitrophenyl)-8-methylpyraz...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C21H16N8O3/c1-27-12-16-19(25-27)24-21(22-17(30)11-13-5-3-2-4-6-13)28-20(16)23-18(26-28)14-7-9-15(10-8-14)29(31)32/h2-10,12H,11H2,1H3,(H,22,24,25,30)
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0.624n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in CHO cells


J Med Chem 53: 3361-75 (2010)


Article DOI: 10.1021/jm100049f
BindingDB Entry DOI: 10.7270/Q2DR2VNJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50069991
PNG
(CHEMBL3407768)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(OC)cc1
Show InChI InChI=1/C23H24N6O4/c1-24-20-16-21(28-15(27-20)9-6-12-4-7-13(33-3)8-5-12)29(11-26-16)17-14-10-23(14,22(32)25-2)19(31)18(17)30/h4-5,7-8,11,14,17-19,30-31H,10H2,1-3H3,(H,25,32)(H,24,27,28)/t14-,17-,18+,19+,23+/s2
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0.630n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human recombinant A3 adenosine receptor expressed in CHO cells after 60 mins by liquid scintillation counting


J Med Chem 57: 9901-14 (2014)


Article DOI: 10.1021/jm501021n
BindingDB Entry DOI: 10.7270/Q2S1846G
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50069812
PNG
(CHEMBL3407784)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(Cl)s1
Show InChI InChI=1/C20H19ClN6O3S/c1-22-17-13-18(26-12(25-17)6-4-9-3-5-11(21)31-9)27(8-24-13)14-10-7-20(10,19(30)23-2)16(29)15(14)28/h3,5,8,10,14-16,28-29H,7H2,1-2H3,(H,23,30)(H,22,25,26)/t10-,14-,15+,16+,20+/s2
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0.700n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from human adenosine A3 receptor expressed in CHO cell membranes


ACS Med Chem Lett 6: 804-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00150
BindingDB Entry DOI: 10.7270/Q23R0VPF
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50069812
PNG
(CHEMBL3407784)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(Cl)s1
Show InChI InChI=1/C20H19ClN6O3S/c1-22-17-13-18(26-12(25-17)6-4-9-3-5-11(21)31-9)27(8-24-13)14-10-7-20(10,19(30)23-2)16(29)15(14)28/h3,5,8,10,14-16,28-29H,7H2,1-2H3,(H,23,30)(H,22,25,26)/t10-,14-,15+,16+,20+/s2
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0.700n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human recombinant A3 adenosine receptor expressed in CHO cells after 60 mins by liquid scintillation counting


J Med Chem 57: 9901-14 (2014)


Article DOI: 10.1021/jm501021n
BindingDB Entry DOI: 10.7270/Q2S1846G
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50116875
PNG
(CHEMBL3612943)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)-n1cc(nn1)-c1ccc(Cl)s1
Show InChI InChI=1/C20H20ClN9O3S/c1-22-16-12-17(26-19(25-16)30-6-9(27-28-30)10-3-4-11(21)34-10)29(7-24-12)13-8-5-20(8,18(33)23-2)15(32)14(13)31/h3-4,6-8,13-15,31-32H,5H2,1-2H3,(H,23,33)(H,22,25,26)/t8-,13-,14+,15+,20+/s2
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0.730n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from human adenosine A3 receptor expressed in CHO cell membranes


ACS Med Chem Lett 6: 804-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00150
BindingDB Entry DOI: 10.7270/Q23R0VPF
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50069992
PNG
(CHEMBL3407766)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#Cc1ccccc1OC
Show InChI InChI=1/C23H24N6O4/c1-24-20-16-21(28-15(27-20)9-8-12-6-4-5-7-14(12)33-3)29(11-26-16)17-13-10-23(13,22(32)25-2)19(31)18(17)30/h4-7,11,13,17-19,30-31H,10H2,1-3H3,(H,25,32)(H,24,27,28)/t13-,17-,18+,19+,23+/s2
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0.770n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human recombinant A3 adenosine receptor expressed in CHO cells after 60 mins by liquid scintillation counting


J Med Chem 57: 9901-14 (2014)


Article DOI: 10.1021/jm501021n
BindingDB Entry DOI: 10.7270/Q2S1846G
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))
BDBM50109453
PNG
(CHEMBL341376 | N-(2-(furan-2-yl)-8-methyl-8H-pyraz...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C19H15N7O2/c1-25-11-13-16(23-25)22-19(20-15(27)10-12-6-3-2-4-7-12)26-18(13)21-17(24-26)14-8-5-9-28-14/h2-9,11H,10H2,1H3,(H,20,22,23,27)
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0.810n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in CHO cells


J Med Chem 53: 3361-75 (2010)


Article DOI: 10.1021/jm100049f
BindingDB Entry DOI: 10.7270/Q2DR2VNJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50399597
PNG
(CHEMBL2180906)
Show SMILES Cn1cc2c(n1)nc(NC(c1ccccc1)c1ccccc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C24H19N7O/c1-30-15-18-21(28-30)27-24(31-23(18)26-22(29-31)19-13-8-14-32-19)25-20(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-15,20H,1H3,(H,25,27,28)
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0.830n/an/an/an/an/an/an/an/a



Universit£ di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane


J Med Chem 55: 9654-68 (2012)


Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50389130
PNG
(CHEMBL2064635)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#Cc1ccccc1
Show InChI InChI=1/C22H22N6O3/c1-23-19-15-20(27-14(26-19)9-8-12-6-4-3-5-7-12)28(11-25-15)16-13-10-22(13,21(31)24-2)18(30)17(16)29/h3-7,11,13,16-18,29-30H,10H2,1-2H3,(H,24,31)(H,23,26,27)/t13-,16-,17+,18+,22+/s2
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0.850n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human recombinant A3 adenosine receptor expressed in CHO cells after 60 mins by liquid scintillation counting


J Med Chem 57: 9901-14 (2014)


Article DOI: 10.1021/jm501021n
BindingDB Entry DOI: 10.7270/Q2S1846G
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50047917
PNG
(CHEMBL3311282)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3c3ccccc3)nc(nc12)C#Cc1ccccc1
Show InChI InChI=1/C27H25N5O4/c33-14-20-23(34)24(35)27(36-20)32-15-28-22-25(29-19-13-18(19)17-9-5-2-6-10-17)30-21(31-26(22)32)12-11-16-7-3-1-4-8-16/h1-10,15,18-20,23-24,27,33-35H,13-14H2,(H,29,30,31)/t18?,19?,20-,23-,24-,27-/s2
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0.860n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from human A3AR expressed in CHO cells after 60 mins by scintillation c...


Bioorg Med Chem Lett 24: 3302-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.006
BindingDB Entry DOI: 10.7270/Q2V40WVQ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50069990
PNG
(CHEMBL3407767)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#Cc1cccc(OC)c1
Show InChI InChI=1/C23H24N6O4/c1-24-20-16-21(28-15(27-20)8-7-12-5-4-6-13(9-12)33-3)29(11-26-16)17-14-10-23(14,22(32)25-2)19(31)18(17)30/h4-6,9,11,14,17-19,30-31H,10H2,1-3H3,(H,25,32)(H,24,27,28)/t14-,17-,18+,19+,23+/s2
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0.910n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human recombinant A3 adenosine receptor expressed in CHO cells after 60 mins by liquid scintillation counting


J Med Chem 57: 9901-14 (2014)


Article DOI: 10.1021/jm501021n
BindingDB Entry DOI: 10.7270/Q2S1846G
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50389132
PNG
(CHEMBL2064637)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#Cc1ccccc1F
Show InChI InChI=1/C22H21FN6O3/c1-24-19-15-20(28-14(27-19)8-7-11-5-3-4-6-13(11)23)29(10-26-15)16-12-9-22(12,21(32)25-2)18(31)17(16)30/h3-6,10,12,16-18,30-31H,9H2,1-2H3,(H,25,32)(H,24,27,28)/t12-,16-,17+,18+,22+/s2
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0.970n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human recombinant A3 adenosine receptor expressed in CHO cells after 60 mins by liquid scintillation counting


J Med Chem 57: 9901-14 (2014)


Article DOI: 10.1021/jm501021n
BindingDB Entry DOI: 10.7270/Q2S1846G
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50389133
PNG
(CHEMBL2064638)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#Cc1cccc(F)c1
Show InChI InChI=1/C22H21FN6O3/c1-24-19-15-20(28-14(27-19)7-6-11-4-3-5-12(23)8-11)29(10-26-15)16-13-9-22(13,21(32)25-2)18(31)17(16)30/h3-5,8,10,13,16-18,30-31H,9H2,1-2H3,(H,25,32)(H,24,27,28)/t13-,16-,17+,18+,22+/s2
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0.970n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human recombinant A3 adenosine receptor expressed in CHO cells after 60 mins by liquid scintillation counting


J Med Chem 57: 9901-14 (2014)


Article DOI: 10.1021/jm501021n
BindingDB Entry DOI: 10.7270/Q2S1846G
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50116885
PNG
(CHEMBL3612935)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC3CC3)nc(nc12)C#Cc1ccc(Cl)s1
Show InChI InChI=1/C22H21ClN6O3S/c1-24-21(32)22-8-12(22)16(17(30)18(22)31)29-9-25-15-19(26-10-2-3-10)27-14(28-20(15)29)7-5-11-4-6-13(23)33-11/h4,6,9-10,12,16-18,30-31H,2-3,8H2,1H3,(H,24,32)(H,26,27,28)/t12-,16-,17+,18+,22+/s2
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1n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from human adenosine A3 receptor expressed in CHO cell membranes


ACS Med Chem Lett 6: 804-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00150
BindingDB Entry DOI: 10.7270/Q23R0VPF
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50389131
PNG
(CHEMBL2064636)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#Cc1ccccn1
Show InChI InChI=1/C21H21N7O3/c1-22-18-14-19(27-13(26-18)7-6-11-5-3-4-8-24-11)28(10-25-14)15-12-9-21(12,20(31)23-2)17(30)16(15)29/h3-5,8,10,12,15-17,29-30H,9H2,1-2H3,(H,23,31)(H,22,26,27)/t12-,15-,16+,17+,21+/s2
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1n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human recombinant A3 adenosine receptor expressed in CHO cells after 60 mins by liquid scintillation counting


J Med Chem 57: 9901-14 (2014)


Article DOI: 10.1021/jm501021n
BindingDB Entry DOI: 10.7270/Q2S1846G
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50118812
PNG
((2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylami...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/s2
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1n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Binding affinity to A3AR (unknown origin)


Bioorg Med Chem 22: 4257-68 (2014)


Article DOI: 10.1016/j.bmc.2014.05.036
BindingDB Entry DOI: 10.7270/Q24Q7WN1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM21221
PNG
((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1
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1n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Binding affinity to A3AR (unknown origin)


Bioorg Med Chem 22: 4257-68 (2014)


Article DOI: 10.1016/j.bmc.2014.05.036
BindingDB Entry DOI: 10.7270/Q24Q7WN1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50399570
PNG
(CHEMBL2180933)
Show SMILES Cc1ccc(CNc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C19H17N7O/c1-12-5-7-13(8-6-12)10-20-19-22-16-14(11-25(2)23-16)18-21-17(24-26(18)19)15-4-3-9-27-15/h3-9,11H,10H2,1-2H3,(H,20,22,23)
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1.07n/an/an/an/an/an/an/an/a



Universit£ di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane


J Med Chem 55: 9654-68 (2012)


Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50116882
PNG
(CHEMBL3612932)
Show SMILES CCCNc1nc(nc2n(cnc12)[C@@H]1[C@H]2C[C@]2([C@@H](O)[C@H]1O)C(=O)NC)C#Cc1ccc(Cl)s1
Show InChI InChI=1/C22H23ClN6O3S/c1-3-8-25-19-15-20(28-14(27-19)7-5-11-4-6-13(23)33-11)29(10-26-15)16-12-9-22(12,21(32)24-2)18(31)17(16)30/h4,6,10,12,16-18,30-31H,3,8-9H2,1-2H3,(H,24,32)(H,25,27,28)/t12-,16-,17+,18+,22+/s2
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1.10n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from human adenosine A3 receptor expressed in CHO cell membranes


ACS Med Chem Lett 6: 804-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00150
BindingDB Entry DOI: 10.7270/Q23R0VPF
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50116871
PNG
(CHEMBL3612944)
Show SMILES CCNc1nc(nc2n(cnc12)[C@@H]1[C@H]2C[C@]2([C@@H](O)[C@H]1O)C(=O)NC)-n1cc(nn1)-c1ccc(Cl)s1
Show InChI InChI=1/C21H22ClN9O3S/c1-3-24-17-13-18(27-20(26-17)31-7-10(28-29-31)11-4-5-12(22)35-11)30(8-25-13)14-9-6-21(9,19(34)23-2)16(33)15(14)32/h4-5,7-9,14-16,32-33H,3,6H2,1-2H3,(H,23,34)(H,24,26,27)/t9-,14-,15+,16+,21+/s2
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1.20n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from human adenosine A3 receptor expressed in CHO cell membranes


ACS Med Chem Lett 6: 804-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00150
BindingDB Entry DOI: 10.7270/Q23R0VPF
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50069855
PNG
(CHEMBL3407787)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#CC1CC1
Show InChI InChI=1/C19H22N6O3/c1-20-16-12-17(24-11(23-16)6-5-9-3-4-9)25(8-22-12)13-10-7-19(10,18(28)21-2)15(27)14(13)26/h8-10,13-15,26-27H,3-4,7H2,1-2H3,(H,21,28)(H,20,23,24)/t10-,13-,14+,15+,19+/s2
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1.20n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human recombinant A3 adenosine receptor expressed in CHO cells after 60 mins by liquid scintillation counting


J Med Chem 57: 9901-14 (2014)


Article DOI: 10.1021/jm501021n
BindingDB Entry DOI: 10.7270/Q2S1846G
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))
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 A3 receptor


(Mus musculus)
BDBM50389145
PNG
(CHEMBL2064653)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#Cc1ccccc1
Show InChI InChI=1/C28H25ClN6O3/c1-30-27(38)28-13-19(28)22(23(36)24(28)37)35-15-32-21-25(31-14-17-8-5-9-18(29)12-17)33-20(34-26(21)35)11-10-16-6-3-2-4-7-16/h2-9,12,15,19,22-24,36-37H,13-14H2,1H3,(H,30,38)(H,31,33,34)/t19-,22-,23+,24+,28+/s2
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1.20n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from mouse adenosine A3 receptor expressed in HEK293 cell membranes aft...


J Med Chem 56: 5949-63 (2014)


Article DOI: 10.1021/jm4007966
BindingDB Entry DOI: 10.7270/Q2GX4D0R
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50389136
PNG
(CHEMBL2064642)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(Cl)cc1
Show InChI InChI=1/C22H21ClN6O3/c1-24-19-15-20(28-14(27-19)8-5-11-3-6-12(23)7-4-11)29(10-26-15)16-13-9-22(13,21(32)25-2)18(31)17(16)30/h3-4,6-7,10,13,16-18,30-31H,9H2,1-2H3,(H,25,32)(H,24,27,28)/t13-,16-,17+,18+,22+/s2
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1.20n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human recombinant A3 adenosine receptor expressed in CHO cells after 60 mins by liquid scintillation counting


J Med Chem 57: 9901-14 (2014)


Article DOI: 10.1021/jm501021n
BindingDB Entry DOI: 10.7270/Q2S1846G
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50355152
PNG
(CHEMBL1834630)
Show SMILES COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C21H17ClN8O2/c1-29-11-16-18(27-29)25-20(26-21(31)23-14-7-9-15(32-2)10-8-14)30-19(16)24-17(28-30)12-3-5-13(22)6-4-12/h3-11H,1-2H3,(H2,23,25,26,27,31)
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1.33n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 3 hrs


Bioorg Med Chem 19: 6120-34 (2011)


Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Canis lupus familiaris)
BDBM50116883
PNG
(CHEMBL3612931)
Show SMILES CCNc1nc(nc2n(cnc12)[C@@H]1[C@H]2C[C@]2([C@@H](O)[C@H]1O)C(=O)NC)C#Cc1ccc(Cl)s1
Show InChI InChI=1/C21H21ClN6O3S/c1-3-24-18-14-19(27-13(26-18)7-5-10-4-6-12(22)32-10)28(9-25-14)15-11-8-21(11,20(31)23-2)17(30)16(15)29/h4,6,9,11,15-17,29-30H,3,8H2,1-2H3,(H,23,31)(H,24,26,27)/t11-,15-,16+,17+,21+/s2
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1.5n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity to canine adenosine A3 receptor expressed in HEK293 cell membranes


ACS Med Chem Lett 6: 804-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00150
BindingDB Entry DOI: 10.7270/Q23R0VPF
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50069986
PNG
(CHEMBL3407780)
Show SMILES CCc1ccc(o1)C#Cc1nc(NC)c2ncn([C@@H]3[C@H]4C[C@]4([C@@H](O)[C@H]3O)C(=O)NC)c2n1
Show InChI InChI=1/C22H24N6O4/c1-4-11-5-6-12(32-11)7-8-14-26-19(23-2)15-20(27-14)28(10-25-15)16-13-9-22(13,21(31)24-3)18(30)17(16)29/h5-6,10,13,16-18,29-30H,4,9H2,1-3H3,(H,24,31)(H,23,26,27)/t13-,16-,17+,18+,22+/s2
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1.5n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human recombinant A3 adenosine receptor expressed in CHO cells after 60 mins by liquid scintillation counting


J Med Chem 57: 9901-14 (2014)


Article DOI: 10.1021/jm501021n
BindingDB Entry DOI: 10.7270/Q2S1846G
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50047918
PNG
(CHEMBL3311284)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(N)nc(nc12)C#Cc1ccccc1
Show InChI InChI=1/C21H20N6O3/c1-23-20(30)21-9-12(21)15(16(28)17(21)29)27-10-24-14-18(22)25-13(26-19(14)27)8-7-11-5-3-2-4-6-11/h2-6,10,12,15-17,28-29H,9H2,1H3,(H,23,30)(H2,22,25,26)/t12-,15-,16+,17+,21+/s2
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1.5n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from human A3AR expressed in CHO cells after 60 mins by scintillation c...


Bioorg Med Chem Lett 24: 3302-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.006
BindingDB Entry DOI: 10.7270/Q2V40WVQ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50069983
PNG
(CHEMBL3407779)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#Cc1cc(C)c(C)o1
Show InChI InChI=1/C22H24N6O4/c1-10-7-12(32-11(10)2)5-6-14-26-19(23-3)15-20(27-14)28(9-25-15)16-13-8-22(13,21(31)24-4)18(30)17(16)29/h7,9,13,16-18,29-30H,8H2,1-4H3,(H,24,31)(H,23,26,27)/t13-,16-,17+,18+,22+/s2
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1.5n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human recombinant A3 adenosine receptor expressed in CHO cells after 60 mins by liquid scintillation counting


J Med Chem 57: 9901-14 (2014)


Article DOI: 10.1021/jm501021n
BindingDB Entry DOI: 10.7270/Q2S1846G
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50438370
PNG
(CHEMBL2413101)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNc5ccc([N+]([O-])=O)c6nonc56)cc4)cc3)ncnc12
Show InChI InChI=1/C34H33N11O9/c46-15-24-30(49)31(50)34(53-24)44-17-39-29-32(37-16-38-33(29)44)41-21-7-3-19(4-8-21)14-26(48)40-20-5-1-18(2-6-20)13-25(47)36-12-11-35-22-9-10-23(45(51)52)28-27(22)42-54-43-28/h1-10,16-17,24,30-31,34-35,46,49-50H,11-15H2,(H,36,47)(H,40,48)(H,37,38,41)/t24-,30-,31-,34-/s2
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1.60n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]ADAC from adenosine A1 receptor in bovine cerebral cortical membranes after 120 mins


Bioorg Med Chem Lett 23: 26-36 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.112
BindingDB Entry DOI: 10.7270/Q2XK8H03
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50069987
PNG
(CHEMBL3407781)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#Cc1cc2ccccc2o1
Show InChI InChI=1/C24H22N6O4/c1-25-21-17-22(29-16(28-21)8-7-13-9-12-5-3-4-6-15(12)34-13)30(11-27-17)18-14-10-24(14,23(33)26-2)20(32)19(18)31/h3-6,9,11,14,18-20,31-32H,10H2,1-2H3,(H,26,33)(H,25,28,29)/t14-,18-,19+,20+,24+/s2
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1.60n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human recombinant A3 adenosine receptor expressed in CHO cells after 60 mins by liquid scintillation counting


J Med Chem 57: 9901-14 (2014)


Article DOI: 10.1021/jm501021n
BindingDB Entry DOI: 10.7270/Q2S1846G
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50069856
PNG
(CHEMBL3407788)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#CC1CCCCC1
Show InChI InChI=1/C22H28N6O3/c1-23-19-15-20(27-14(26-19)9-8-12-6-4-3-5-7-12)28(11-25-15)16-13-10-22(13,21(31)24-2)18(30)17(16)29/h11-13,16-18,29-30H,3-7,10H2,1-2H3,(H,24,31)(H,23,26,27)/t13-,16-,17+,18+,22+/s2
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1.70n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human recombinant A3 adenosine receptor expressed in CHO cells after 60 mins by liquid scintillation counting


J Med Chem 57: 9901-14 (2014)


Article DOI: 10.1021/jm501021n
BindingDB Entry DOI: 10.7270/Q2S1846G
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50389125
PNG
(CHEMBL2064645)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(F)c(F)c1
Show InChI InChI=1/C22H20F2N6O3/c1-25-19-15-20(29-14(28-19)6-4-10-3-5-12(23)13(24)7-10)30(9-27-15)16-11-8-22(11,21(33)26-2)18(32)17(16)31/h3,5,7,9,11,16-18,31-32H,8H2,1-2H3,(H,26,33)(H,25,28,29)/t11-,16-,17+,18+,22+/s2
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1.70n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human recombinant A3 adenosine receptor expressed in CHO cells after 60 mins by liquid scintillation counting


J Med Chem 57: 9901-14 (2014)


Article DOI: 10.1021/jm501021n
BindingDB Entry DOI: 10.7270/Q2S1846G
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50116878
PNG
(CHEMBL3612940)
Show SMILES CCNc1cc(nc2n(cnc12)[C@@H]1[C@H]2C[C@]2([C@@H](O)[C@H]1O)C(=O)NC)C#Cc1ccc(Cl)s1
Show InChI InChI=1/C22H22ClN5O3S/c1-3-25-14-8-11(4-5-12-6-7-15(23)32-12)27-20-16(14)26-10-28(20)17-13-9-22(13,21(31)24-2)19(30)18(17)29/h6-8,10,13,17-19,29-30H,3,9H2,1-2H3,(H,24,31)(H,25,27)/t13-,17-,18+,19+,22+/s2
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1.70n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from human adenosine A3 receptor expressed in CHO cell membranes


ACS Med Chem Lett 6: 804-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00150
BindingDB Entry DOI: 10.7270/Q23R0VPF
More data for this
Ligand-Target Pair
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