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21 similar compounds to monomer 50264169

Compile data set for download or QSAR
Wt: 527.7
BDBM50088428
Wt: 511.7
BDBM50100421
Wt: 527.7
BDBM50118808
Wt: 488.9
BDBM50163014
Wt: 493.3
BDBM50163016
Wt: 584.7
BDBM50163029
Wt: 497.7
BDBM50264213
Wt: 406.2
BDBM50264214
Wt: 450.7
BDBM50264215
Wt: 421.8
BDBM50264216
Wt: 508.3
BDBM50264167
Wt: 417.8
BDBM50264170
Wt: 389.8
BDBM50379108
Wt: 437.8
BDBM50379112
Wt: 437.8
BDBM50379113
Displayed 1 to 15 (of 21 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 83 hits for monomerid = 50088428,50100421,50118808,50163014,50163016,50163029,50264213,50264214,50264215,50264216,50264167,50264170,50379108,50379112,50379113   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50163029
PNG
(1N-methyl-4-[2-chloro-6-(5-iodo-2-methoxybenzylami...)
Show SMILES CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(I)ccc3OC)nc(Cl)nc12
Show InChI InChI=1S/C21H22ClIN6O4/c1-24-19(32)21-6-11(21)14(15(30)16(21)31)29-8-26-13-17(27-20(22)28-18(13)29)25-7-9-5-10(23)3-4-12(9)33-2/h3-5,8,11,14-16,30-31H,6-7H2,1-2H3,(H,24,32)(H,25,27,28)/t11-,14-,15+,16+,21-/m1/s1
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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
Inhibition of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in CHO cells


J Med Chem 48: 1745-58 (2005)


Article DOI: 10.1021/jm049580r
BindingDB Entry DOI: 10.7270/Q23F4P52
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50264215
PNG
((1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(3-Bromobenzy...)
Show SMILES O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc12
Show InChI InChI=1S/C18H17BrClN5O2/c19-9-3-1-2-8(4-9)6-21-16-12-17(24-18(20)23-16)25(7-22-12)13-10-5-11(10)14(26)15(13)27/h1-4,7,10-11,13-15,26-27H,5-6H2,(H,21,23,24)/t10-,11+,13+,14+,15-/m0/s1
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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]AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by liquid scintillation counting


J Med Chem 52: 7580-92 (2009)


Article DOI: 10.1021/jm900426g
BindingDB Entry DOI: 10.7270/Q2ZC82WM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50264215
PNG
((1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(3-Bromobenzy...)
Show SMILES O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc12
Show InChI InChI=1S/C18H17BrClN5O2/c19-9-3-1-2-8(4-9)6-21-16-12-17(24-18(20)23-16)25(7-22-12)13-10-5-11(10)14(26)15(13)27/h1-4,7,10-11,13-15,26-27H,5-6H2,(H,21,23,24)/t10-,11+,13+,14+,15-/m0/s1
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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 [3H]CGS21680 form human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem 16: 8546-56 (2008)


Article DOI: 10.1016/j.bmc.2008.08.007
BindingDB Entry DOI: 10.7270/Q20R9P71
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50163014
PNG
((1S,2R,3S,4R,5S)-4-(6-(2,5-dimethoxybenzylamino)-2...)
Show SMILES CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(OC)ccc3OC)nc(Cl)nc12
Show InChI InChI=1S/C22H25ClN6O5/c1-24-20(32)22-7-12(22)15(16(30)17(22)31)29-9-26-14-18(27-21(23)28-19(14)29)25-8-10-6-11(33-2)4-5-13(10)34-3/h4-6,9,12,15-17,30-31H,7-8H2,1-3H3,(H,24,32)(H,25,27,28)/t12-,15-,16+,17+,22-/m1/s1
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0.870n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of radioligand from rat A3 adenosine receptor


Bioorg Med Chem Lett 18: 2813-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.001
BindingDB Entry DOI: 10.7270/Q2XK8GFH
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50264214
PNG
((1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(3-chlorobenz...)
Show SMILES O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12
Show InChI InChI=1S/C18H17Cl2N5O2/c19-9-3-1-2-8(4-9)6-21-16-12-17(24-18(20)23-16)25(7-22-12)13-10-5-11(10)14(26)15(13)27/h1-4,7,10-11,13-15,26-27H,5-6H2,(H,21,23,24)/t10-,11+,13+,14+,15-/m0/s1
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1.06n/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]CGS21680 form human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem 16: 8546-56 (2008)


Article DOI: 10.1016/j.bmc.2008.08.007
BindingDB Entry DOI: 10.7270/Q20R9P71
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50264214
PNG
((1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(3-chlorobenz...)
Show SMILES O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12
Show InChI InChI=1S/C18H17Cl2N5O2/c19-9-3-1-2-8(4-9)6-21-16-12-17(24-18(20)23-16)25(7-22-12)13-10-5-11(10)14(26)15(13)27/h1-4,7,10-11,13-15,26-27H,5-6H2,(H,21,23,24)/t10-,11+,13+,14+,15-/m0/s1
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1.06n/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]AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by liquid scintillation counting


J Med Chem 52: 7580-92 (2009)


Article DOI: 10.1021/jm900426g
BindingDB Entry DOI: 10.7270/Q2ZC82WM
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50118808
PNG
(4-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-1-h...)
Show SMILES OCC12CC1C(C(O)C2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C19H19ClIN5O3/c20-18-24-16(22-6-9-2-1-3-10(21)4-9)12-17(25-18)26(8-23-12)13-11-5-19(11,7-27)15(29)14(13)28/h1-4,8,11,13-15,27-29H,5-7H2,(H,22,24,25)
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1.30n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity of adenosine derivative for endogenous rat Adenosine A3 receptor expressed on CHO cell


J Med Chem 45: 4471-84 (2002)


Article DOI: 10.1021/jm020211+
BindingDB Entry DOI: 10.7270/Q2P84CMQ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50118808
PNG
(4-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-1-h...)
Show SMILES OCC12CC1C(C(O)C2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C19H19ClIN5O3/c20-18-24-16(22-6-9-2-1-3-10(21)4-9)12-17(25-18)26(8-23-12)13-11-5-19(11,7-27)15(29)14(13)28/h1-4,8,11,13-15,27-29H,5-7H2,(H,22,24,25)
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1.30n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity towards Adenosine A3 receptor (W243 mutant receptor)


J Med Chem 45: 4471-84 (2002)


Article DOI: 10.1021/jm020211+
BindingDB Entry DOI: 10.7270/Q2P84CMQ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50163014
PNG
((1S,2R,3S,4R,5S)-4-(6-(2,5-dimethoxybenzylamino)-2...)
Show SMILES CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(OC)ccc3OC)nc(Cl)nc12
Show InChI InChI=1S/C22H25ClN6O5/c1-24-20(32)22-7-12(22)15(16(30)17(22)31)29-9-26-14-18(27-21(23)28-19(14)29)25-8-10-6-11(33-2)4-5-13(10)34-3/h4-6,9,12,15-17,30-31H,7-8H2,1-3H3,(H,24,32)(H,25,27,28)/t12-,15-,16+,17+,22-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of radioligand from human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 2813-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.001
BindingDB Entry DOI: 10.7270/Q2XK8GFH
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50264216
PNG
((1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(1-naphthylam...)
Show SMILES O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc4ccccc34)nc(Cl)nc12
Show InChI InChI=1S/C22H20ClN5O2/c23-22-26-20(24-9-12-6-3-5-11-4-1-2-7-13(11)12)16-21(27-22)28(10-25-16)17-14-8-15(14)18(29)19(17)30/h1-7,10,14-15,17-19,29-30H,8-9H2,(H,24,26,27)/t14-,15+,17+,18+,19-/m0/s1
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1.42n/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]CGS21680 form human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem 16: 8546-56 (2008)


Article DOI: 10.1016/j.bmc.2008.08.007
BindingDB Entry DOI: 10.7270/Q20R9P71
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50264213
PNG
((1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(3-iodobenzyl...)
Show SMILES O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C18H17ClIN5O2/c19-18-23-16(21-6-8-2-1-3-9(20)4-8)12-17(24-18)25(7-22-12)13-10-5-11(10)14(26)15(13)27/h1-4,7,10-11,13-15,26-27H,5-6H2,(H,21,23,24)/t10-,11+,13+,14+,15-/m0/s1
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1.44n/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]CGS21680 form human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem 16: 8546-56 (2008)


Article DOI: 10.1016/j.bmc.2008.08.007
BindingDB Entry DOI: 10.7270/Q20R9P71
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50264213
PNG
((1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(3-iodobenzyl...)
Show SMILES O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C18H17ClIN5O2/c19-18-23-16(21-6-8-2-1-3-9(20)4-8)12-17(24-18)25(7-22-12)13-10-5-11(10)14(26)15(13)27/h1-4,7,10-11,13-15,26-27H,5-6H2,(H,21,23,24)/t10-,11+,13+,14+,15-/m0/s1
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1.44n/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]AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by liquid scintillation counting


J Med Chem 52: 7580-92 (2009)


Article DOI: 10.1021/jm900426g
BindingDB Entry DOI: 10.7270/Q2ZC82WM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50163016
PNG
((1S,2R,3S,4R,5S)-4-(6-(5-chloro-2-methoxybenzylami...)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(Cl)ccc3OC)nc(Cl)nc12
Show InChI InChI=1S/C21H22Cl2N6O4/c1-24-19(32)21-6-11(21)14(15(30)16(21)31)29-8-26-13-17(27-20(23)28-18(13)29)25-7-9-5-10(22)3-4-12(9)33-2/h3-5,8,11,14-16,30-31H,6-7H2,1-2H3,(H,24,32)(H,25,27,28)/t11-,14-,15+,16+,21+/m1/s1
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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 [3H]CGS21680 form human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem 16: 8546-56 (2008)


Article DOI: 10.1016/j.bmc.2008.08.007
BindingDB Entry DOI: 10.7270/Q20R9P71
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50163016
PNG
((1S,2R,3S,4R,5S)-4-(6-(5-chloro-2-methoxybenzylami...)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(Cl)ccc3OC)nc(Cl)nc12
Show InChI InChI=1S/C21H22Cl2N6O4/c1-24-19(32)21-6-11(21)14(15(30)16(21)31)29-8-26-13-17(27-20(23)28-18(13)29)25-7-9-5-10(22)3-4-12(9)33-2/h3-5,8,11,14-16,30-31H,6-7H2,1-2H3,(H,24,32)(H,25,27,28)/t11-,14-,15+,16+,21+/m1/s1
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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
Inhibition of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in CHO cells


J Med Chem 48: 1745-58 (2005)


Article DOI: 10.1021/jm049580r
BindingDB Entry DOI: 10.7270/Q23F4P52
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50118808
PNG
(4-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-1-h...)
Show SMILES OCC12CC1C(C(O)C2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C19H19ClIN5O3/c20-18-24-16(22-6-9-2-1-3-10(21)4-9)12-17(25-18)26(8-23-12)13-11-5-19(11,7-27)15(29)14(13)28/h1-4,8,11,13-15,27-29H,5-7H2,(H,22,24,25)
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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
Binding affinity towards human Adenosine A3 receptor wild type


J Med Chem 45: 4471-84 (2002)


Article DOI: 10.1021/jm020211+
BindingDB Entry DOI: 10.7270/Q2P84CMQ
More data for this
Ligand-Target Pair
Adenosine A3 receptor


(Mus musculus)
BDBM50163014
PNG
((1S,2R,3S,4R,5S)-4-(6-(2,5-dimethoxybenzylamino)-2...)
Show SMILES CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(OC)ccc3OC)nc(Cl)nc12
Show InChI InChI=1S/C22H25ClN6O5/c1-24-20(32)22-7-12(22)15(16(30)17(22)31)29-9-26-14-18(27-21(23)28-19(14)29)25-8-10-6-11(33-2)4-5-13(10)34-3/h4-6,9,12,15-17,30-31H,7-8H2,1-3H3,(H,24,32)(H,25,27,28)/t12-,15-,16+,17+,22-/m1/s1
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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-(-amino-3-iodobenzyl)adenosine-5'-N-methyl-uronamide from mouse recombinant adenosine A3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2813-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.001
BindingDB Entry DOI: 10.7270/Q2XK8GFH
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50088428
PNG
((1R,2R,3S,4R,5S)-4-[2-Chloro-6-(3-iodo-benzylamino...)
Show SMILES OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C19H19ClIN5O3/c20-18-24-16(22-6-9-2-1-3-10(21)4-9)12-17(25-18)26(8-23-12)13-11-5-19(11,7-27)15(29)14(13)28/h1-4,8,11,13-15,27-29H,5-7H2,(H,22,24,25)/t11-,13-,14+,15+,19+/m1/s1
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1.90n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in CHO cells


J Med Chem 48: 1745-58 (2005)


Article DOI: 10.1021/jm049580r
BindingDB Entry DOI: 10.7270/Q23F4P52
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50118808
PNG
(4-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-1-h...)
Show SMILES OCC12CC1C(C(O)C2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C19H19ClIN5O3/c20-18-24-16(22-6-9-2-1-3-10(21)4-9)12-17(25-18)26(8-23-12)13-11-5-19(11,7-27)15(29)14(13)28/h1-4,8,11,13-15,27-29H,5-7H2,(H,22,24,25)
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1.90n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Affinity for human Adenosine A3 receptor expressed in CHO cell


J Med Chem 45: 4471-84 (2002)


Article DOI: 10.1021/jm020211+
BindingDB Entry DOI: 10.7270/Q2P84CMQ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50088428
PNG
((1R,2R,3S,4R,5S)-4-[2-Chloro-6-(3-iodo-benzylamino...)
Show SMILES OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C19H19ClIN5O3/c20-18-24-16(22-6-9-2-1-3-10(21)4-9)12-17(25-18)26(8-23-12)13-11-5-19(11,7-27)15(29)14(13)28/h1-4,8,11,13-15,27-29H,5-7H2,(H,22,24,25)/t11-,13-,14+,15+,19+/m1/s1
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2.20n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


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


Bioorg Med Chem Lett 11: 1333-7 (2001)


Article DOI: 10.1016/s0960-894x(01)00213-x
BindingDB Entry DOI: 10.7270/Q2445N1F
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50088428
PNG
((1R,2R,3S,4R,5S)-4-[2-Chloro-6-(3-iodo-benzylamino...)
Show SMILES OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C19H19ClIN5O3/c20-18-24-16(22-6-9-2-1-3-10(21)4-9)12-17(25-18)26(8-23-12)13-11-5-19(11,7-27)15(29)14(13)28/h1-4,8,11,13-15,27-29H,5-7H2,(H,22,24,25)/t11-,13-,14+,15+,19+/m1/s1
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2.20n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


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


J Med Chem 43: 2196-203 (2000)


Article DOI: 10.1021/jm9905965
BindingDB Entry DOI: 10.7270/Q2ZW1MM5
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50118808
PNG
(4-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-1-h...)
Show SMILES OCC12CC1C(C(O)C2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C19H19ClIN5O3/c20-18-24-16(22-6-9-2-1-3-10(21)4-9)12-17(25-18)26(8-23-12)13-11-5-19(11,7-27)15(29)14(13)28/h1-4,8,11,13-15,27-29H,5-7H2,(H,22,24,25)
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2.70n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Bnding affinity in membrane of CHO cell stably expressing recombinant human Adenosine A3 receptor using [3H]8-ethyl-4-methyl-2-phenyl-(8R)-4,5,7,8-te...


J Med Chem 45: 4471-84 (2002)


Article DOI: 10.1021/jm020211+
BindingDB Entry DOI: 10.7270/Q2P84CMQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50118808
PNG
(4-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-1-h...)
Show SMILES OCC12CC1C(C(O)C2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C19H19ClIN5O3/c20-18-24-16(22-6-9-2-1-3-10(21)4-9)12-17(25-18)26(8-23-12)13-11-5-19(11,7-27)15(29)14(13)28/h1-4,8,11,13-15,27-29H,5-7H2,(H,22,24,25)
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2.90n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity of adenosine derivative for endogenous rat Adenosine A3 receptor of RBL-2H3


J Med Chem 45: 4471-84 (2002)


Article DOI: 10.1021/jm020211+
BindingDB Entry DOI: 10.7270/Q2P84CMQ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50118808
PNG
(4-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-1-h...)
Show SMILES OCC12CC1C(C(O)C2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C19H19ClIN5O3/c20-18-24-16(22-6-9-2-1-3-10(21)4-9)12-17(25-18)26(8-23-12)13-11-5-19(11,7-27)15(29)14(13)28/h1-4,8,11,13-15,27-29H,5-7H2,(H,22,24,25)
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4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity in membrane of CHO cell stably expressing recombinant human Adenosine A3 receptor in the presence of GTPgammaS using [3H]8-ethyl-4-m...


J Med Chem 45: 4471-84 (2002)


Article DOI: 10.1021/jm020211+
BindingDB Entry DOI: 10.7270/Q2P84CMQ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50264170
PNG
((1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(2-hydroxy-5-...)
Show SMILES COc1ccc(O)c(CNc2nc(Cl)nc3n(cnc23)[C@@H]2[C@H]3C[C@H]3[C@@H](O)[C@H]2O)c1
Show InChI InChI=1S/C19H20ClN5O4/c1-29-9-2-3-12(26)8(4-9)6-21-17-13-18(24-19(20)23-17)25(7-22-13)14-10-5-11(10)15(27)16(14)28/h2-4,7,10-11,14-16,26-28H,5-6H2,1H3,(H,21,23,24)/t10-,11+,14+,15+,16-/m0/s1
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4.06n/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]CGS21680 form human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem 16: 8546-56 (2008)


Article DOI: 10.1016/j.bmc.2008.08.007
BindingDB Entry DOI: 10.7270/Q20R9P71
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50379108
PNG
(CHEMBL2012687)
Show SMILES O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3ccccc3F)nc(Cl)nc12
Show InChI InChI=1S/C18H17ClFN5O2/c19-18-23-16(21-6-8-3-1-2-4-11(8)20)12-17(24-18)25(7-22-12)13-9-5-10(9)14(26)15(13)27/h1-4,7,9-10,13-15,26-27H,5-6H2,(H,21,23,24)/t9-,10+,13+,14+,15-/m0/s1
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6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]R-PIA from rat forebrain adenosine receptor-1


ACS Med Chem Lett 2: 626-631 (2011)


Article DOI: 10.1021/ml200114q
BindingDB Entry DOI: 10.7270/Q2MG7QGN
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(Mus musculus)
BDBM50163014
PNG
((1S,2R,3S,4R,5S)-4-(6-(2,5-dimethoxybenzylamino)-2...)
Show SMILES CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(OC)ccc3OC)nc(Cl)nc12
Show InChI InChI=1S/C22H25ClN6O5/c1-24-20(32)22-7-12(22)15(16(30)17(22)31)29-9-26-14-18(27-21(23)28-19(14)29)25-8-10-6-11(33-2)4-5-13(10)34-3/h4-6,9,12,15-17,30-31H,7-8H2,1-3H3,(H,24,32)(H,25,27,28)/t12-,15-,16+,17+,22-/m1/s1
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29n/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-methyl-uronamide from mouse recombinant adenosine A1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2813-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.001
BindingDB Entry DOI: 10.7270/Q2XK8GFH
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50379112
PNG
(CHEMBL2012693)
Show SMILES COc1cc(F)c(F)cc1CNc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@H]2[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H18ClF2N5O3/c1-30-12-4-11(22)10(21)2-7(12)5-23-17-13-18(26-19(20)25-17)27(6-24-13)14-8-3-9(8)15(28)16(14)29/h2,4,6,8-9,14-16,28-29H,3,5H2,1H3,(H,23,25,26)/t8-,9+,14+,15+,16-/m0/s1
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40.4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human recombinant adenosine receptor-3 expressed in CHO cell membrane after 60 mins by gamma-counting


ACS Med Chem Lett 2: 626-631 (2011)


Article DOI: 10.1021/ml200114q
BindingDB Entry DOI: 10.7270/Q2MG7QGN
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50379108
PNG
(CHEMBL2012687)
Show SMILES O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3ccccc3F)nc(Cl)nc12
Show InChI InChI=1S/C18H17ClFN5O2/c19-18-23-16(21-6-8-3-1-2-4-11(8)20)12-17(24-18)25(7-22-12)13-9-5-10(9)14(26)15(13)27/h1-4,7,9-10,13-15,26-27H,5-6H2,(H,21,23,24)/t9-,10+,13+,14+,15-/m0/s1
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41.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human recombinant adenosine receptor-3 expressed in CHO cell membrane after 60 mins by gamma-counting


ACS Med Chem Lett 2: 626-631 (2011)


Article DOI: 10.1021/ml200114q
BindingDB Entry DOI: 10.7270/Q2MG7QGN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50088428
PNG
((1R,2R,3S,4R,5S)-4-[2-Chloro-6-(3-iodo-benzylamino...)
Show SMILES OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C19H19ClIN5O3/c20-18-24-16(22-6-9-2-1-3-10(21)4-9)12-17(25-18)26(8-23-12)13-11-5-19(11,7-27)15(29)14(13)28/h1-4,8,11,13-15,27-29H,5-7H2,(H,22,24,25)/t11-,13-,14+,15+,19+/m1/s1
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65n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]-R-PIA binding to human Adenosine A1 receptor expressed in CHO cells


J Med Chem 48: 1745-58 (2005)


Article DOI: 10.1021/jm049580r
BindingDB Entry DOI: 10.7270/Q23F4P52
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50379113
PNG
(CHEMBL2012692)
Show SMILES COc1ccc(F)c(F)c1CNc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@H]2[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H18ClF2N5O3/c1-30-11-3-2-10(21)12(22)9(11)5-23-17-13-18(26-19(20)25-17)27(6-24-13)14-7-4-8(7)15(28)16(14)29/h2-3,6-8,14-16,28-29H,4-5H2,1H3,(H,23,25,26)/t7-,8+,14+,15+,16-/m0/s1
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83.2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human recombinant adenosine receptor-3 expressed in CHO cell membrane after 60 mins by gamma-counting


ACS Med Chem Lett 2: 626-631 (2011)


Article DOI: 10.1021/ml200114q
BindingDB Entry DOI: 10.7270/Q2MG7QGN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50088428
PNG
((1R,2R,3S,4R,5S)-4-[2-Chloro-6-(3-iodo-benzylamino...)
Show SMILES OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C19H19ClIN5O3/c20-18-24-16(22-6-9-2-1-3-10(21)4-9)12-17(25-18)26(8-23-12)13-11-5-19(11,7-27)15(29)14(13)28/h1-4,8,11,13-15,27-29H,5-7H2,(H,22,24,25)/t11-,13-,14+,15+,19+/m1/s1
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141n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Ability to displace specific radioligand [3H]R-PIA binding at Adenosine A1 receptor in rat brain membrane


Bioorg Med Chem Lett 11: 1333-7 (2001)


Article DOI: 10.1016/s0960-894x(01)00213-x
BindingDB Entry DOI: 10.7270/Q2445N1F
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50088428
PNG
((1R,2R,3S,4R,5S)-4-[2-Chloro-6-(3-iodo-benzylamino...)
Show SMILES OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C19H19ClIN5O3/c20-18-24-16(22-6-9-2-1-3-10(21)4-9)12-17(25-18)26(8-23-12)13-11-5-19(11,7-27)15(29)14(13)28/h1-4,8,11,13-15,27-29H,5-7H2,(H,22,24,25)/t11-,13-,14+,15+,19+/m1/s1
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141n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]R-PIA from rat brain membrane Adenosine A1 receptor


J Med Chem 43: 2196-203 (2000)


Article DOI: 10.1021/jm9905965
BindingDB Entry DOI: 10.7270/Q2ZW1MM5
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50264167
PNG
((1S,2R,3S,4R,5S)-ethyl 4-(6-(5-chloro-2-methoxyben...)
Show SMILES CCOC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(Cl)ccc3OC)nc(Cl)nc12
Show InChI InChI=1S/C22H23Cl2N5O5/c1-3-34-20(32)22-7-12(22)15(16(30)17(22)31)29-9-26-14-18(27-21(24)28-19(14)29)25-8-10-6-11(23)4-5-13(10)33-2/h4-6,9,12,15-17,30-31H,3,7-8H2,1-2H3,(H,25,27,28)/t12-,15-,16+,17+,22+/m1/s1
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196n/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]CGS21680 form human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem 16: 8546-56 (2008)


Article DOI: 10.1016/j.bmc.2008.08.007
BindingDB Entry DOI: 10.7270/Q20R9P71
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50163029
PNG
(1N-methyl-4-[2-chloro-6-(5-iodo-2-methoxybenzylami...)
Show SMILES CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(I)ccc3OC)nc(Cl)nc12
Show InChI InChI=1S/C21H22ClIN6O4/c1-24-19(32)21-6-11(21)14(15(30)16(21)31)29-8-26-13-17(27-20(22)28-18(13)29)25-7-9-5-10(23)3-4-12(9)33-2/h3-5,8,11,14-16,30-31H,6-7H2,1-2H3,(H,24,32)(H,25,27,28)/t11-,14-,15+,16+,21-/m1/s1
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200n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]-R-PIA binding to human Adenosine A1 receptor expressed in CHO cells


J Med Chem 48: 1745-58 (2005)


Article DOI: 10.1021/jm049580r
BindingDB Entry DOI: 10.7270/Q23F4P52
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50163016
PNG
((1S,2R,3S,4R,5S)-4-(6-(5-chloro-2-methoxybenzylami...)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(Cl)ccc3OC)nc(Cl)nc12
Show InChI InChI=1S/C21H22Cl2N6O4/c1-24-19(32)21-6-11(21)14(15(30)16(21)31)29-8-26-13-17(27-20(23)28-18(13)29)25-7-9-5-10(22)3-4-12(9)33-2/h3-5,8,11,14-16,30-31H,6-7H2,1-2H3,(H,24,32)(H,25,27,28)/t11-,14-,15+,16+,21+/m1/s1
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240n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]-R-PIA binding to human Adenosine A1 receptor expressed in CHO cells


J Med Chem 48: 1745-58 (2005)


Article DOI: 10.1021/jm049580r
BindingDB Entry DOI: 10.7270/Q23F4P52
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50163016
PNG
((1S,2R,3S,4R,5S)-4-(6-(5-chloro-2-methoxybenzylami...)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(Cl)ccc3OC)nc(Cl)nc12
Show InChI InChI=1S/C21H22Cl2N6O4/c1-24-19(32)21-6-11(21)14(15(30)16(21)31)29-8-26-13-17(27-20(23)28-18(13)29)25-7-9-5-10(22)3-4-12(9)33-2/h3-5,8,11,14-16,30-31H,6-7H2,1-2H3,(H,24,32)(H,25,27,28)/t11-,14-,15+,16+,21+/m1/s1
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240n/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]CCPA form human adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem 16: 8546-56 (2008)


Article DOI: 10.1016/j.bmc.2008.08.007
BindingDB Entry DOI: 10.7270/Q20R9P71
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50163029
PNG
(1N-methyl-4-[2-chloro-6-(5-iodo-2-methoxybenzylami...)
Show SMILES CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(I)ccc3OC)nc(Cl)nc12
Show InChI InChI=1S/C21H22ClIN6O4/c1-24-19(32)21-6-11(21)14(15(30)16(21)31)29-8-26-13-17(27-20(22)28-18(13)29)25-7-9-5-10(23)3-4-12(9)33-2/h3-5,8,11,14-16,30-31H,6-7H2,1-2H3,(H,24,32)(H,25,27,28)/t11-,14-,15+,16+,21-/m1/s1
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430n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS- 21680 binding to human Adenosine A2A receptor expressed in CHO cells


J Med Chem 48: 1745-58 (2005)


Article DOI: 10.1021/jm049580r
BindingDB Entry DOI: 10.7270/Q23F4P52
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50118808
PNG
(4-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-1-h...)
Show SMILES OCC12CC1C(C(O)C2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C19H19ClIN5O3/c20-18-24-16(22-6-9-2-1-3-10(21)4-9)12-17(25-18)26(8-23-12)13-11-5-19(11,7-27)15(29)14(13)28/h1-4,8,11,13-15,27-29H,5-7H2,(H,22,24,25)
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460n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity towards Adenosine A3 receptor (H95A mutant receptor)


J Med Chem 45: 4471-84 (2002)


Article DOI: 10.1021/jm020211+
BindingDB Entry DOI: 10.7270/Q2P84CMQ
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50088428
PNG
((1R,2R,3S,4R,5S)-4-[2-Chloro-6-(3-iodo-benzylamino...)
Show SMILES OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C19H19ClIN5O3/c20-18-24-16(22-6-9-2-1-3-10(21)4-9)12-17(25-18)26(8-23-12)13-11-5-19(11,7-27)15(29)14(13)28/h1-4,8,11,13-15,27-29H,5-7H2,(H,22,24,25)/t11-,13-,14+,15+,19+/m1/s1
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732n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-CGS- 21680 binding to adenosine A2A receptor in rat striatal membranes


J Med Chem 43: 2196-203 (2000)


Article DOI: 10.1021/jm9905965
BindingDB Entry DOI: 10.7270/Q2ZW1MM5
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50088428
PNG
((1R,2R,3S,4R,5S)-4-[2-Chloro-6-(3-iodo-benzylamino...)
Show SMILES OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C19H19ClIN5O3/c20-18-24-16(22-6-9-2-1-3-10(21)4-9)12-17(25-18)26(8-23-12)13-11-5-19(11,7-27)15(29)14(13)28/h1-4,8,11,13-15,27-29H,5-7H2,(H,22,24,25)/t11-,13-,14+,15+,19+/m1/s1
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732n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Ability to displace specific radioligand [3H]-CGS- 21680 binding at A2A receptors (rA2A) in rat brain membrane


Bioorg Med Chem Lett 11: 1333-7 (2001)


Article DOI: 10.1016/s0960-894x(01)00213-x
BindingDB Entry DOI: 10.7270/Q2445N1F
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50100421
PNG
((1R,2S,4S,5S)-4-[2-Chloro-6-(3-iodo-benzylamino)-p...)
Show SMILES OC[C@@]12C[C@@H]1[C@H](C[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C19H19ClIN5O2/c20-18-24-16(22-7-10-2-1-3-11(21)4-10)15-17(25-18)26(9-23-15)13-5-14(28)19(8-27)6-12(13)19/h1-4,9,12-14,27-28H,5-8H2,(H,22,24,25)/t12-,13+,14+,19+/m1/s1
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912n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Ability to displace specific radioligand [125I]AB-MECA binding at human Adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 11: 1333-7 (2001)


Article DOI: 10.1016/s0960-894x(01)00213-x
BindingDB Entry DOI: 10.7270/Q2445N1F
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50264167
PNG
((1S,2R,3S,4R,5S)-ethyl 4-(6-(5-chloro-2-methoxyben...)
Show SMILES CCOC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(Cl)ccc3OC)nc(Cl)nc12
Show InChI InChI=1S/C22H23Cl2N5O5/c1-3-34-20(32)22-7-12(22)15(16(30)17(22)31)29-9-26-14-18(27-21(24)28-19(14)29)25-8-10-6-11(23)4-5-13(10)33-2/h4-6,9,12,15-17,30-31H,3,7-8H2,1-2H3,(H,25,27,28)/t12-,15-,16+,17+,22+/m1/s1
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1.01E+3n/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]CCPA form human adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem 16: 8546-56 (2008)


Article DOI: 10.1016/j.bmc.2008.08.007
BindingDB Entry DOI: 10.7270/Q20R9P71
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50264213
PNG
((1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(3-iodobenzyl...)
Show SMILES O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C18H17ClIN5O2/c19-18-23-16(21-6-8-2-1-3-9(20)4-8)12-17(24-18)25(7-22-12)13-10-5-11(10)14(26)15(13)27/h1-4,7,10-11,13-15,26-27H,5-6H2,(H,21,23,24)/t10-,11+,13+,14+,15-/m0/s1
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1.08E+3n/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]R-PIA form human adenosine A2A receptor expressed in HEK cells


Bioorg Med Chem 16: 8546-56 (2008)


Article DOI: 10.1016/j.bmc.2008.08.007
BindingDB Entry DOI: 10.7270/Q20R9P71
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50264213
PNG
((1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(3-iodobenzyl...)
Show SMILES O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C18H17ClIN5O2/c19-18-23-16(21-6-8-2-1-3-9(20)4-8)12-17(24-18)25(7-22-12)13-10-5-11(10)14(26)15(13)27/h1-4,7,10-11,13-15,26-27H,5-6H2,(H,21,23,24)/t10-,11+,13+,14+,15-/m0/s1
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1.08E+3n/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]CGS21680 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting


J Med Chem 52: 7580-92 (2009)


Article DOI: 10.1021/jm900426g
BindingDB Entry DOI: 10.7270/Q2ZC82WM
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50264170
PNG
((1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(2-hydroxy-5-...)
Show SMILES COc1ccc(O)c(CNc2nc(Cl)nc3n(cnc23)[C@@H]2[C@H]3C[C@H]3[C@@H](O)[C@H]2O)c1
Show InChI InChI=1S/C19H20ClN5O4/c1-29-9-2-3-12(26)8(4-9)6-21-17-13-18(24-19(20)23-17)25(7-22-13)14-10-5-11(10)15(27)16(14)28/h2-4,7,10-11,14-16,26-28H,5-6H2,1H3,(H,21,23,24)/t10-,11+,14+,15+,16-/m0/s1
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1.11E+3n/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]CCPA form human adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem 16: 8546-56 (2008)


Article DOI: 10.1016/j.bmc.2008.08.007
BindingDB Entry DOI: 10.7270/Q20R9P71
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50264216
PNG
((1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(1-naphthylam...)
Show SMILES O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc4ccccc34)nc(Cl)nc12
Show InChI InChI=1S/C22H20ClN5O2/c23-22-26-20(24-9-12-6-3-5-11-4-1-2-7-13(11)12)16-21(27-22)28(10-25-16)17-14-8-15(14)18(29)19(17)30/h1-7,10,14-15,17-19,29-30H,8-9H2,(H,24,26,27)/t14-,15+,17+,18+,19-/m0/s1
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1.12E+3n/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]CCPA form human adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem 16: 8546-56 (2008)


Article DOI: 10.1016/j.bmc.2008.08.007
BindingDB Entry DOI: 10.7270/Q20R9P71
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50163016
PNG
((1S,2R,3S,4R,5S)-4-(6-(5-chloro-2-methoxybenzylami...)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(Cl)ccc3OC)nc(Cl)nc12
Show InChI InChI=1S/C21H22Cl2N6O4/c1-24-19(32)21-6-11(21)14(15(30)16(21)31)29-8-26-13-17(27-20(23)28-18(13)29)25-7-9-5-10(22)3-4-12(9)33-2/h3-5,8,11,14-16,30-31H,6-7H2,1-2H3,(H,24,32)(H,25,27,28)/t11-,14-,15+,16+,21+/m1/s1
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1.20E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS- 21680 binding to human Adenosine A2A receptor expressed in CHO cells


J Med Chem 48: 1745-58 (2005)


Article DOI: 10.1021/jm049580r
BindingDB Entry DOI: 10.7270/Q23F4P52
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50163016
PNG
((1S,2R,3S,4R,5S)-4-(6-(5-chloro-2-methoxybenzylami...)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(Cl)ccc3OC)nc(Cl)nc12
Show InChI InChI=1S/C21H22Cl2N6O4/c1-24-19(32)21-6-11(21)14(15(30)16(21)31)29-8-26-13-17(27-20(23)28-18(13)29)25-7-9-5-10(22)3-4-12(9)33-2/h3-5,8,11,14-16,30-31H,6-7H2,1-2H3,(H,24,32)(H,25,27,28)/t11-,14-,15+,16+,21+/m1/s1
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1.20E+3n/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]R-PIA form human adenosine A2A receptor expressed in HEK cells


Bioorg Med Chem 16: 8546-56 (2008)


Article DOI: 10.1016/j.bmc.2008.08.007
BindingDB Entry DOI: 10.7270/Q20R9P71
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50264216
PNG
((1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(1-naphthylam...)
Show SMILES O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc4ccccc34)nc(Cl)nc12
Show InChI InChI=1S/C22H20ClN5O2/c23-22-26-20(24-9-12-6-3-5-11-4-1-2-7-13(11)12)16-21(27-22)28(10-25-16)17-14-8-15(14)18(29)19(17)30/h1-7,10,14-15,17-19,29-30H,8-9H2,(H,24,26,27)/t14-,15+,17+,18+,19-/m0/s1
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1.53E+3n/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]R-PIA form human adenosine A2A receptor expressed in HEK cells


Bioorg Med Chem 16: 8546-56 (2008)


Article DOI: 10.1016/j.bmc.2008.08.007
BindingDB Entry DOI: 10.7270/Q20R9P71
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50264215
PNG
((1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(3-Bromobenzy...)
Show SMILES O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc12
Show InChI InChI=1S/C18H17BrClN5O2/c19-9-3-1-2-8(4-9)6-21-16-12-17(24-18(20)23-16)25(7-22-12)13-10-5-11(10)14(26)15(13)27/h1-4,7,10-11,13-15,26-27H,5-6H2,(H,21,23,24)/t10-,11+,13+,14+,15-/m0/s1
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1.60E+3n/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]CGS21680 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting


J Med Chem 52: 7580-92 (2009)


Article DOI: 10.1021/jm900426g
BindingDB Entry DOI: 10.7270/Q2ZC82WM
More data for this
Ligand-Target Pair
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