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PubMed code 16640329

Compile data set for download or QSAR
Found 50 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50185941
PNG
((2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-9H-purin-9-...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1CN)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C19H22IN7O3/c1-22-18(29)15-12(6-21)14(28)19(30-15)27-9-26-13-16(24-8-25-17(13)27)23-7-10-3-2-4-11(20)5-10/h2-5,8-9,12,14-15,19,28H,6-7,21H2,1H3,(H,22,29)(H,23,24,25)/t12-,14+,15-,19+/m0/s1
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 110n/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 adenosine A3 receptor T94E mutant expressed in COS7 cells

J Med Chem 49: 2689-702 (2006)


Article DOI: 10.1021/jm050968b
BindingDB Entry DOI: 10.7270/Q24B323M
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50185941
PNG
((2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-9H-purin-9-...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1CN)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C19H22IN7O3/c1-22-18(29)15-12(6-21)14(28)19(30-15)27-9-26-13-16(24-8-25-17(13)27)23-7-10-3-2-4-11(20)5-10/h2-5,8-9,12,14-15,19,28H,6-7,21H2,1H3,(H,22,29)(H,23,24,25)/t12-,14+,15-,19+/m0/s1
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 120n/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 adenosine A3 receptor H272D mutant expressed in COS7 cells

J Med Chem 49: 2689-702 (2006)


Article DOI: 10.1021/jm050968b
BindingDB Entry DOI: 10.7270/Q24B323M
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50185941
PNG
((2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-9H-purin-9-...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1CN)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C19H22IN7O3/c1-22-18(29)15-12(6-21)14(28)19(30-15)27-9-26-13-16(24-8-25-17(13)27)23-7-10-3-2-4-11(20)5-10/h2-5,8-9,12,14-15,19,28H,6-7,21H2,1H3,(H,22,29)(H,23,24,25)/t12-,14+,15-,19+/m0/s1
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 120n/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 adenosine A3 receptor T94A mutant expressed in COS7 cells

J Med Chem 49: 2689-702 (2006)


Article DOI: 10.1021/jm050968b
BindingDB Entry DOI: 10.7270/Q24B323M
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50185941
PNG
((2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-9H-purin-9-...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1CN)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C19H22IN7O3/c1-22-18(29)15-12(6-21)14(28)19(30-15)27-9-26-13-16(24-8-25-17(13)27)23-7-10-3-2-4-11(20)5-10/h2-5,8-9,12,14-15,19,28H,6-7,21H2,1H3,(H,22,29)(H,23,24,25)/t12-,14+,15-,19+/m0/s1
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 137n/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 wild type adenosine A3 receptor expressed in COS7 cells

J Med Chem 49: 2689-702 (2006)


Article DOI: 10.1021/jm050968b
BindingDB Entry DOI: 10.7270/Q24B323M
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50185937
PNG
(3-azido-5-(6-(3-iodobenzylamino)purin-9-yl)-4-hydr...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N=[N+]=[N-])n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C18H18IN9O3/c1-21-17(30)14-11(26-27-20)13(29)18(31-14)28-8-25-12-15(23-7-24-16(12)28)22-6-9-3-2-4-10(19)5-9/h2-5,7-8,11,13-14,18,29H,6H2,1H3,(H,21,30)(H,22,23,24)/t11-,13+,14-,18+/m0/s1
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 140n/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 adenosine A3 receptor H272D mutant expressed in COS7 cells

J Med Chem 49: 2689-702 (2006)


Article DOI: 10.1021/jm050968b
BindingDB Entry DOI: 10.7270/Q24B323M
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50185941
PNG
((2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-9H-purin-9-...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1CN)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C19H22IN7O3/c1-22-18(29)15-12(6-21)14(28)19(30-15)27-9-26-13-16(24-8-25-17(13)27)23-7-10-3-2-4-11(20)5-10/h2-5,8-9,12,14-15,19,28H,6-7,21H2,1H3,(H,22,29)(H,23,24,25)/t12-,14+,15-,19+/m0/s1
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 185n/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 adenosine A3 receptor H272E mutant expressed in COS7 cells

J Med Chem 49: 2689-702 (2006)


Article DOI: 10.1021/jm050968b
BindingDB Entry DOI: 10.7270/Q24B323M
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50185937
PNG
(3-azido-5-(6-(3-iodobenzylamino)purin-9-yl)-4-hydr...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N=[N+]=[N-])n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C18H18IN9O3/c1-21-17(30)14-11(26-27-20)13(29)18(31-14)28-8-25-12-15(23-7-24-16(12)28)22-6-9-3-2-4-10(19)5-9/h2-5,7-8,11,13-14,18,29H,6H2,1H3,(H,21,30)(H,22,23,24)/t11-,13+,14-,18+/m0/s1
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 186n/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 adenosine A3 receptor H272E mutant expressed in COS7 cells

J Med Chem 49: 2689-702 (2006)


Article DOI: 10.1021/jm050968b
BindingDB Entry DOI: 10.7270/Q24B323M
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50185938
PNG
(CHEMBL377490 | {5-[2-chloro-6-(3-iodo-benzylamino)...)
Show SMILES NC(=O)N[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C18H19ClIN7O4/c19-17-25-14(22-5-8-2-1-3-9(20)4-8)12-15(26-17)27(7-23-12)16-13(29)11(24-18(21)30)10(6-28)31-16/h1-4,7,10-11,13,16,28-29H,5-6H2,(H3,21,24,30)(H,22,25,26)/t10-,11-,13-,16-/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
Displacement of [125I]I-AB-MECA from human adenosine A3 receptor H272E mutant expressed in COS7 cells

J Med Chem 49: 2689-702 (2006)


Article DOI: 10.1021/jm050968b
BindingDB Entry DOI: 10.7270/Q24B323M
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50185932
PNG
(CHEMBL382194 | N6-(3-iodobenzyl)-9-(3-deoxy-3-urei...)
Show SMILES NC(=O)N[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C18H20IN7O4/c19-10-3-1-2-9(4-10)5-21-15-13-16(23-7-22-15)26(8-24-13)17-14(28)12(25-18(20)29)11(6-27)30-17/h1-4,7-8,11-12,14,17,27-28H,5-6H2,(H3,20,25,29)(H,21,22,23)/t11-,12-,14-,17-/m1/s1
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 220n/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 adenosine A3 receptor H272E mutant expressed in COS7 cells

J Med Chem 49: 2689-702 (2006)


Article DOI: 10.1021/jm050968b
BindingDB Entry DOI: 10.7270/Q24B323M
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50185939
PNG
((2S,3S,4R,5R)-5-(6-(5-chloro-2-methoxybenzylamino)...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1CN)n1cnc2c(NCc3cc(Cl)ccc3OC)ncnc12
Show InChI InChI=1S/C20H24ClN7O4/c1-23-19(30)16-12(6-22)15(29)20(32-16)28-9-27-14-17(25-8-26-18(14)28)24-7-10-5-11(21)3-4-13(10)31-2/h3-5,8-9,12,15-16,20,29H,6-7,22H2,1-2H3,(H,23,30)(H,24,25,26)/t12-,15+,16-,20+/m0/s1
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 390n/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 adenosine A3 receptor H272D mutant expressed in COS7 cells

J Med Chem 49: 2689-702 (2006)


Article DOI: 10.1021/jm050968b
BindingDB Entry DOI: 10.7270/Q24B323M
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50185932
PNG
(CHEMBL382194 | N6-(3-iodobenzyl)-9-(3-deoxy-3-urei...)
Show SMILES NC(=O)N[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C18H20IN7O4/c19-10-3-1-2-9(4-10)5-21-15-13-16(23-7-22-15)26(8-24-13)17-14(28)12(25-18(20)29)11(6-27)30-17/h1-4,7-8,11-12,14,17,27-28H,5-6H2,(H3,20,25,29)(H,21,22,23)/t11-,12-,14-,17-/m1/s1
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 470n/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 adenosine A3 receptor H272D mutant expressed in COS7 cells

J Med Chem 49: 2689-702 (2006)


Article DOI: 10.1021/jm050968b
BindingDB Entry DOI: 10.7270/Q24B323M
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50185939
PNG
((2S,3S,4R,5R)-5-(6-(5-chloro-2-methoxybenzylamino)...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1CN)n1cnc2c(NCc3cc(Cl)ccc3OC)ncnc12
Show InChI InChI=1S/C20H24ClN7O4/c1-23-19(30)16-12(6-22)15(29)20(32-16)28-9-27-14-17(25-8-26-18(14)28)24-7-10-5-11(21)3-4-13(10)31-2/h3-5,8-9,12,15-16,20,29H,6-7,22H2,1-2H3,(H,23,30)(H,24,25,26)/t12-,15+,16-,20+/m0/s1
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 557n/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 wild type adenosine A3 receptor expressed in COS7 cells

J Med Chem 49: 2689-702 (2006)


Article DOI: 10.1021/jm050968b
BindingDB Entry DOI: 10.7270/Q24B323M
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50185941
PNG
((2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-9H-purin-9-...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1CN)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C19H22IN7O3/c1-22-18(29)15-12(6-21)14(28)19(30-15)27-9-26-13-16(24-8-25-17(13)27)23-7-10-3-2-4-11(20)5-10/h2-5,8-9,12,14-15,19,28H,6-7,21H2,1H3,(H,22,29)(H,23,24,25)/t12-,14+,15-,19+/m0/s1
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 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 adenosine A3 receptor Q167E mutant expressed in COS7 cells

J Med Chem 49: 2689-702 (2006)


Article DOI: 10.1021/jm050968b
BindingDB Entry DOI: 10.7270/Q24B323M
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50185939
PNG
((2S,3S,4R,5R)-5-(6-(5-chloro-2-methoxybenzylamino)...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1CN)n1cnc2c(NCc3cc(Cl)ccc3OC)ncnc12
Show InChI InChI=1S/C20H24ClN7O4/c1-23-19(30)16-12(6-22)15(29)20(32-16)28-9-27-14-17(25-8-26-18(14)28)24-7-10-5-11(21)3-4-13(10)31-2/h3-5,8-9,12,15-16,20,29H,6-7,22H2,1-2H3,(H,23,30)(H,24,25,26)/t12-,15+,16-,20+/m0/s1
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 592n/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 adenosine A3 receptor H272E mutant expressed in COS7 cells

J Med Chem 49: 2689-702 (2006)


Article DOI: 10.1021/jm050968b
BindingDB Entry DOI: 10.7270/Q24B323M
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50134814
PNG
((2R,3R,4S,5S)-2-(6-(3-iodobenzylamino)-9H-purin-9-...)
Show SMILES NC[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C18H21IN6O3/c19-11-3-1-2-10(4-11)6-21-16-14-17(23-8-22-16)25(9-24-14)18-15(27)12(5-20)13(7-26)28-18/h1-4,8-9,12-13,15,18,26-27H,5-7,20H2,(H,21,22,23)/t12-,13-,15-,18-/m1/s1
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 610n/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 adenosine A3 receptor H272E mutant expressed in COS7 cells

J Med Chem 49: 2689-702 (2006)


Article DOI: 10.1021/jm050968b
BindingDB Entry DOI: 10.7270/Q24B323M
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50185933
PNG
(CHEMBL207610 | N-(((2S,3S,4R,5R)-5-(6-(3-iodobenzy...)
Show SMILES CC(=O)NC[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C20H23IN6O4/c1-11(29)22-7-14-15(8-28)31-20(17(14)30)27-10-26-16-18(24-9-25-19(16)27)23-6-12-3-2-4-13(21)5-12/h2-5,9-10,14-15,17,20,28,30H,6-8H2,1H3,(H,22,29)(H,23,24,25)/t14-,15-,17-,20-/m1/s1
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 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 adenosine A3 receptor H272E mutant expressed in COS7 cells

J Med Chem 49: 2689-702 (2006)


Article DOI: 10.1021/jm050968b
BindingDB Entry DOI: 10.7270/Q24B323M
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50185936
PNG
((2R,3R,4S,5S)-2-(6-(5-chloro-2-methoxybenzylamino)...)
Show SMILES COc1ccc(Cl)cc1CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](CN)[C@H]1O
Show InChI InChI=1S/C19H23ClN6O4/c1-29-13-3-2-11(20)4-10(13)6-22-17-15-18(24-8-23-17)26(9-25-15)19-16(28)12(5-21)14(7-27)30-19/h2-4,8-9,12,14,16,19,27-28H,5-7,21H2,1H3,(H,22,23,24)/t12-,14-,16-,19-/m1/s1
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 709n/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 adenosine A3 receptor H272E mutant expressed in COS7 cells

J Med Chem 49: 2689-702 (2006)


Article DOI: 10.1021/jm050968b
BindingDB Entry DOI: 10.7270/Q24B323M
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50134814
PNG
((2R,3R,4S,5S)-2-(6-(3-iodobenzylamino)-9H-purin-9-...)
Show SMILES NC[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C18H21IN6O3/c19-11-3-1-2-10(4-11)6-21-16-14-17(23-8-22-16)25(9-24-14)18-15(27)12(5-20)13(7-26)28-18/h1-4,8-9,12-13,15,18,26-27H,5-7,20H2,(H,21,22,23)/t12-,13-,15-,18-/m1/s1
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 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 adenosine A3 receptor H272D mutant expressed in COS7 cells

J Med Chem 49: 2689-702 (2006)


Article DOI: 10.1021/jm050968b
BindingDB Entry DOI: 10.7270/Q24B323M
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50185939
PNG
((2S,3S,4R,5R)-5-(6-(5-chloro-2-methoxybenzylamino)...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1CN)n1cnc2c(NCc3cc(Cl)ccc3OC)ncnc12
Show InChI InChI=1S/C20H24ClN7O4/c1-23-19(30)16-12(6-22)15(29)20(32-16)28-9-27-14-17(25-8-26-18(14)28)24-7-10-5-11(21)3-4-13(10)31-2/h3-5,8-9,12,15-16,20,29H,6-7,22H2,1-2H3,(H,23,30)(H,24,25,26)/t12-,15+,16-,20+/m0/s1
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 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 adenosine A3 receptor T94E mutant expressed in COS7 cells

J Med Chem 49: 2689-702 (2006)


Article DOI: 10.1021/jm050968b
BindingDB Entry DOI: 10.7270/Q24B323M
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50185933
PNG
(CHEMBL207610 | N-(((2S,3S,4R,5R)-5-(6-(3-iodobenzy...)
Show SMILES CC(=O)NC[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C20H23IN6O4/c1-11(29)22-7-14-15(8-28)31-20(17(14)30)27-10-26-16-18(24-9-25-19(16)27)23-6-12-3-2-4-13(21)5-12/h2-5,9-10,14-15,17,20,28,30H,6-8H2,1H3,(H,22,29)(H,23,24,25)/t14-,15-,17-,20-/m1/s1
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 1.00E+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 [125I]I-AB-MECA from human adenosine A3 receptor H272D mutant expressed in COS7 cells

J Med Chem 49: 2689-702 (2006)


Article DOI: 10.1021/jm050968b
BindingDB Entry DOI: 10.7270/Q24B323M
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50185937
PNG
(3-azido-5-(6-(3-iodobenzylamino)purin-9-yl)-4-hydr...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N=[N+]=[N-])n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C18H18IN9O3/c1-21-17(30)14-11(26-27-20)13(29)18(31-14)28-8-25-12-15(23-7-24-16(12)28)22-6-9-3-2-4-10(19)5-9/h2-5,7-8,11,13-14,18,29H,6H2,1H3,(H,21,30)(H,22,23,24)/t11-,13+,14-,18+/m0/s1
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 1.37E+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 [125I]I-AB-MECA from human adenosine A3 receptor T94A mutant expressed in COS7 cells

J Med Chem 49: 2689-702 (2006)


Article DOI: 10.1021/jm050968b
BindingDB Entry DOI: 10.7270/Q24B323M
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50185934
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydr...)
Show SMILES NNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C10H13N7O4/c11-7-3-8(14-1-13-7)17(2-15-3)10-5(19)4(18)6(21-10)9(20)16-12/h1-2,4-6,10,18-19H,12H2,(H,16,20)(H2,11,13,14)/t4-,5+,6-,10+/m0/s1
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 1.50E+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 [125I]I-AB-MECA from wild type adenosine A3 receptor expressed in COS7 cells

J Med Chem 49: 2689-702 (2006)


Article DOI: 10.1021/jm050968b
BindingDB Entry DOI: 10.7270/Q24B323M
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50185937
PNG
(3-azido-5-(6-(3-iodobenzylamino)purin-9-yl)-4-hydr...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N=[N+]=[N-])n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C18H18IN9O3/c1-21-17(30)14-11(26-27-20)13(29)18(31-14)28-8-25-12-15(23-7-24-16(12)28)22-6-9-3-2-4-10(19)5-9/h2-5,7-8,11,13-14,18,29H,6H2,1H3,(H,21,30)(H,22,23,24)/t11-,13+,14-,18+/m0/s1
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 2.00E+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 [125I]I-AB-MECA from human adenosine A3 receptor T94E mutant expressed in COS7 cells

J Med Chem 49: 2689-702 (2006)


Article DOI: 10.1021/jm050968b
BindingDB Entry DOI: 10.7270/Q24B323M
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50185936
PNG
((2R,3R,4S,5S)-2-(6-(5-chloro-2-methoxybenzylamino)...)
Show SMILES COc1ccc(Cl)cc1CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](CN)[C@H]1O
Show InChI InChI=1S/C19H23ClN6O4/c1-29-13-3-2-11(20)4-10(13)6-22-17-15-18(24-8-23-17)26(9-25-15)19-16(28)12(5-21)14(7-27)30-19/h2-4,8-9,12,14,16,19,27-28H,5-7,21H2,1H3,(H,22,23,24)/t12-,14-,16-,19-/m1/s1
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 2.00E+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 [125I]I-AB-MECA from human adenosine A3 receptor H272D mutant expressed in COS7 cells

J Med Chem 49: 2689-702 (2006)


Article DOI: 10.1021/jm050968b
BindingDB Entry DOI: 10.7270/Q24B323M
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50185937
PNG
(3-azido-5-(6-(3-iodobenzylamino)purin-9-yl)-4-hydr...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N=[N+]=[N-])n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C18H18IN9O3/c1-21-17(30)14-11(26-27-20)13(29)18(31-14)28-8-25-12-15(23-7-24-16(12)28)22-6-9-3-2-4-10(19)5-9/h2-5,7-8,11,13-14,18,29H,6H2,1H3,(H,21,30)(H,22,23,24)/t11-,13+,14-,18+/m0/s1
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 2.26E+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 [125I]I-AB-MECA from wild type adenosine A3 receptor expressed in COS7 cells

J Med Chem 49: 2689-702 (2006)


Article DOI: 10.1021/jm050968b
BindingDB Entry DOI: 10.7270/Q24B323M
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50185935
PNG
(3-ureido-5-(6-(3-iodobenzylamino)purin-9-yl)-4-hyd...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1NC(N)=O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C19H21IN8O4/c1-22-17(30)14-11(27-19(21)31)13(29)18(32-14)28-8-26-12-15(24-7-25-16(12)28)23-6-9-3-2-4-10(20)5-9/h2-5,7-8,11,13-14,18,29H,6H2,1H3,(H,22,30)(H3,21,27,31)(H,23,24,25)/t11-,13+,14-,18+/m0/s1
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 2.70E+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 [125I]I-AB-MECA from human adenosine A3 receptor H272E mutant expressed in COS7 cells

J Med Chem 49: 2689-702 (2006)


Article DOI: 10.1021/jm050968b
BindingDB Entry DOI: 10.7270/Q24B323M
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50185939
PNG
((2S,3S,4R,5R)-5-(6-(5-chloro-2-methoxybenzylamino)...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1CN)n1cnc2c(NCc3cc(Cl)ccc3OC)ncnc12
Show InChI InChI=1S/C20H24ClN7O4/c1-23-19(30)16-12(6-22)15(29)20(32-16)28-9-27-14-17(25-8-26-18(14)28)24-7-10-5-11(21)3-4-13(10)31-2/h3-5,8-9,12,15-16,20,29H,6-7,22H2,1-2H3,(H,23,30)(H,24,25,26)/t12-,15+,16-,20+/m0/s1
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 7.20E+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 [125I]I-AB-MECA from human adenosine A3 receptor Q167E mutant expressed in COS7 cells

J Med Chem 49: 2689-702 (2006)


Article DOI: 10.1021/jm050968b
BindingDB Entry DOI: 10.7270/Q24B323M
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50134814
PNG
((2R,3R,4S,5S)-2-(6-(3-iodobenzylamino)-9H-purin-9-...)
Show SMILES NC[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C18H21IN6O3/c19-11-3-1-2-10(4-11)6-21-16-14-17(23-8-22-16)25(9-24-14)18-15(27)12(5-20)13(7-26)28-18/h1-4,8-9,12-13,15,18,26-27H,5-7,20H2,(H,21,22,23)/t12-,13-,15-,18-/m1/s1
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 9.50E+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 [125I]I-AB-MECA from wild type adenosine A3 receptor expressed in COS7 cells

J Med Chem 49: 2689-702 (2006)


Article DOI: 10.1021/jm050968b
BindingDB Entry DOI: 10.7270/Q24B323M
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50185936
PNG
((2R,3R,4S,5S)-2-(6-(5-chloro-2-methoxybenzylamino)...)
Show SMILES COc1ccc(Cl)cc1CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](CN)[C@H]1O
Show InChI InChI=1S/C19H23ClN6O4/c1-29-13-3-2-11(20)4-10(13)6-22-17-15-18(24-8-23-17)26(9-25-15)19-16(28)12(5-21)14(7-27)30-19/h2-4,8-9,12,14,16,19,27-28H,5-7,21H2,1H3,(H,22,23,24)/t12-,14-,16-,19-/m1/s1
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 9.80E+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 [125I]I-AB-MECA from human adenosine A3 receptor T94A mutant expressed in COS7 cells

J Med Chem 49: 2689-702 (2006)


Article DOI: 10.1021/jm050968b
BindingDB Entry DOI: 10.7270/Q24B323M
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50185932
PNG
(CHEMBL382194 | N6-(3-iodobenzyl)-9-(3-deoxy-3-urei...)
Show SMILES NC(=O)N[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C18H20IN7O4/c19-10-3-1-2-9(4-10)5-21-15-13-16(23-7-22-15)26(8-24-13)17-14(28)12(25-18(20)29)11(6-27)30-17/h1-4,7-8,11-12,14,17,27-28H,5-6H2,(H3,20,25,29)(H,21,22,23)/t11-,12-,14-,17-/m1/s1
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>1.00E+4n/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 adenosine A3 receptor T94A mutant expressed in COS7 cells

J Med Chem 49: 2689-702 (2006)


Article DOI: 10.1021/jm050968b
BindingDB Entry DOI: 10.7270/Q24B323M
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50185936
PNG
((2R,3R,4S,5S)-2-(6-(5-chloro-2-methoxybenzylamino)...)
Show SMILES COc1ccc(Cl)cc1CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](CN)[C@H]1O
Show InChI InChI=1S/C19H23ClN6O4/c1-29-13-3-2-11(20)4-10(13)6-22-17-15-18(24-8-23-17)26(9-25-15)19-16(28)12(5-21)14(7-27)30-19/h2-4,8-9,12,14,16,19,27-28H,5-7,21H2,1H3,(H,22,23,24)/t12-,14-,16-,19-/m1/s1
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>1.00E+4n/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 adenosine A3 receptor T94E mutant expressed in COS7 cells

J Med Chem 49: 2689-702 (2006)


Article DOI: 10.1021/jm050968b
BindingDB Entry DOI: 10.7270/Q24B323M
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50185936
PNG
((2R,3R,4S,5S)-2-(6-(5-chloro-2-methoxybenzylamino)...)
Show SMILES COc1ccc(Cl)cc1CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](CN)[C@H]1O
Show InChI InChI=1S/C19H23ClN6O4/c1-29-13-3-2-11(20)4-10(13)6-22-17-15-18(24-8-23-17)26(9-25-15)19-16(28)12(5-21)14(7-27)30-19/h2-4,8-9,12,14,16,19,27-28H,5-7,21H2,1H3,(H,22,23,24)/t12-,14-,16-,19-/m1/s1
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>1.00E+4n/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 adenosine A3 receptor Q167E mutant expressed in COS7 cells

J Med Chem 49: 2689-702 (2006)


Article DOI: 10.1021/jm050968b
BindingDB Entry DOI: 10.7270/Q24B323M
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50185934
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydr...)
Show SMILES NNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C10H13N7O4/c11-7-3-8(14-1-13-7)17(2-15-3)10-5(19)4(18)6(21-10)9(20)16-12/h1-2,4-6,10,18-19H,12H2,(H,16,20)(H2,11,13,14)/t4-,5+,6-,10+/m0/s1
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>1.00E+4n/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 adenosine A3 receptor H272E mutant expressed in COS7 cells

J Med Chem 49: 2689-702 (2006)


Article DOI: 10.1021/jm050968b
BindingDB Entry DOI: 10.7270/Q24B323M
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50134814
PNG
((2R,3R,4S,5S)-2-(6-(3-iodobenzylamino)-9H-purin-9-...)
Show SMILES NC[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C18H21IN6O3/c19-11-3-1-2-10(4-11)6-21-16-14-17(23-8-22-16)25(9-24-14)18-15(27)12(5-20)13(7-26)28-18/h1-4,8-9,12-13,15,18,26-27H,5-7,20H2,(H,21,22,23)/t12-,13-,15-,18-/m1/s1
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>1.00E+4n/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 adenosine A3 receptor Q167E mutant expressed in COS7 cells

J Med Chem 49: 2689-702 (2006)


Article DOI: 10.1021/jm050968b
BindingDB Entry DOI: 10.7270/Q24B323M
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50185933
PNG
(CHEMBL207610 | N-(((2S,3S,4R,5R)-5-(6-(3-iodobenzy...)
Show SMILES CC(=O)NC[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C20H23IN6O4/c1-11(29)22-7-14-15(8-28)31-20(17(14)30)27-10-26-16-18(24-9-25-19(16)27)23-6-12-3-2-4-13(21)5-12/h2-5,9-10,14-15,17,20,28,30H,6-8H2,1H3,(H,22,29)(H,23,24,25)/t14-,15-,17-,20-/m1/s1
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>1.00E+4n/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 wild type adenosine A3 receptor expressed in COS7 cells

J Med Chem 49: 2689-702 (2006)


Article DOI: 10.1021/jm050968b
BindingDB Entry DOI: 10.7270/Q24B323M
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50185932
PNG
(CHEMBL382194 | N6-(3-iodobenzyl)-9-(3-deoxy-3-urei...)
Show SMILES NC(=O)N[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C18H20IN7O4/c19-10-3-1-2-9(4-10)5-21-15-13-16(23-7-22-15)26(8-24-13)17-14(28)12(25-18(20)29)11(6-27)30-17/h1-4,7-8,11-12,14,17,27-28H,5-6H2,(H3,20,25,29)(H,21,22,23)/t11-,12-,14-,17-/m1/s1
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>1.00E+4n/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 wild type adenosine A3 receptor expressed in COS7 cells

J Med Chem 49: 2689-702 (2006)


Article DOI: 10.1021/jm050968b
BindingDB Entry DOI: 10.7270/Q24B323M
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50185933
PNG
(CHEMBL207610 | N-(((2S,3S,4R,5R)-5-(6-(3-iodobenzy...)
Show SMILES CC(=O)NC[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C20H23IN6O4/c1-11(29)22-7-14-15(8-28)31-20(17(14)30)27-10-26-16-18(24-9-25-19(16)27)23-6-12-3-2-4-13(21)5-12/h2-5,9-10,14-15,17,20,28,30H,6-8H2,1H3,(H,22,29)(H,23,24,25)/t14-,15-,17-,20-/m1/s1
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>1.00E+4n/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 adenosine A3 receptor Q167E mutant expressed in COS7 cells

J Med Chem 49: 2689-702 (2006)


Article DOI: 10.1021/jm050968b
BindingDB Entry DOI: 10.7270/Q24B323M
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50134814
PNG
((2R,3R,4S,5S)-2-(6-(3-iodobenzylamino)-9H-purin-9-...)
Show SMILES NC[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C18H21IN6O3/c19-11-3-1-2-10(4-11)6-21-16-14-17(23-8-22-16)25(9-24-14)18-15(27)12(5-20)13(7-26)28-18/h1-4,8-9,12-13,15,18,26-27H,5-7,20H2,(H,21,22,23)/t12-,13-,15-,18-/m1/s1
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 1.00E+4n/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 adenosine A3 receptor T94E mutant expressed in COS7 cells

J Med Chem 49: 2689-702 (2006)


Article DOI: 10.1021/jm050968b
BindingDB Entry DOI: 10.7270/Q24B323M
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50185933
PNG
(CHEMBL207610 | N-(((2S,3S,4R,5R)-5-(6-(3-iodobenzy...)
Show SMILES CC(=O)NC[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C20H23IN6O4/c1-11(29)22-7-14-15(8-28)31-20(17(14)30)27-10-26-16-18(24-9-25-19(16)27)23-6-12-3-2-4-13(21)5-12/h2-5,9-10,14-15,17,20,28,30H,6-8H2,1H3,(H,22,29)(H,23,24,25)/t14-,15-,17-,20-/m1/s1
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>1.00E+4n/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 adenosine A3 receptor T94E mutant expressed in COS7 cells

J Med Chem 49: 2689-702 (2006)


Article DOI: 10.1021/jm050968b
BindingDB Entry DOI: 10.7270/Q24B323M
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50185932
PNG
(CHEMBL382194 | N6-(3-iodobenzyl)-9-(3-deoxy-3-urei...)
Show SMILES NC(=O)N[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C18H20IN7O4/c19-10-3-1-2-9(4-10)5-21-15-13-16(23-7-22-15)26(8-24-13)17-14(28)12(25-18(20)29)11(6-27)30-17/h1-4,7-8,11-12,14,17,27-28H,5-6H2,(H3,20,25,29)(H,21,22,23)/t11-,12-,14-,17-/m1/s1
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>1.00E+4n/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 adenosine A3 receptor T94E mutant expressed in COS7 cells

J Med Chem 49: 2689-702 (2006)


Article DOI: 10.1021/jm050968b
BindingDB Entry DOI: 10.7270/Q24B323M
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50185933
PNG
(CHEMBL207610 | N-(((2S,3S,4R,5R)-5-(6-(3-iodobenzy...)
Show SMILES CC(=O)NC[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C20H23IN6O4/c1-11(29)22-7-14-15(8-28)31-20(17(14)30)27-10-26-16-18(24-9-25-19(16)27)23-6-12-3-2-4-13(21)5-12/h2-5,9-10,14-15,17,20,28,30H,6-8H2,1H3,(H,22,29)(H,23,24,25)/t14-,15-,17-,20-/m1/s1
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>1.00E+4n/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 adenosine A3 receptor T94A mutant expressed in COS7 cells

J Med Chem 49: 2689-702 (2006)


Article DOI: 10.1021/jm050968b
BindingDB Entry DOI: 10.7270/Q24B323M
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50134814
PNG
((2R,3R,4S,5S)-2-(6-(3-iodobenzylamino)-9H-purin-9-...)
Show SMILES NC[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C18H21IN6O3/c19-11-3-1-2-10(4-11)6-21-16-14-17(23-8-22-16)25(9-24-14)18-15(27)12(5-20)13(7-26)28-18/h1-4,8-9,12-13,15,18,26-27H,5-7,20H2,(H,21,22,23)/t12-,13-,15-,18-/m1/s1
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 1.07E+4n/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 adenosine A3 receptor T94A mutant expressed in COS7 cells

J Med Chem 49: 2689-702 (2006)


Article DOI: 10.1021/jm050968b
BindingDB Entry DOI: 10.7270/Q24B323M
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50185936
PNG
((2R,3R,4S,5S)-2-(6-(5-chloro-2-methoxybenzylamino)...)
Show SMILES COc1ccc(Cl)cc1CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](CN)[C@H]1O
Show InChI InChI=1S/C19H23ClN6O4/c1-29-13-3-2-11(20)4-10(13)6-22-17-15-18(24-8-23-17)26(9-25-15)19-16(28)12(5-21)14(7-27)30-19/h2-4,8-9,12,14,16,19,27-28H,5-7,21H2,1H3,(H,22,23,24)/t12-,14-,16-,19-/m1/s1
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 1.38E+4n/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 wild type adenosine A3 receptor expressed in COS7 cells

J Med Chem 49: 2689-702 (2006)


Article DOI: 10.1021/jm050968b
BindingDB Entry DOI: 10.7270/Q24B323M
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50106539
PNG
((2S,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy...)
Show SMILES NCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H17N7O4/c13-1-2-15-11(22)8-6(20)7(21)12(23-8)19-4-18-5-9(14)16-3-17-10(5)19/h3-4,6-8,12,20-21H,1-2,13H2,(H,15,22)(H2,14,16,17)/t6-,7+,8-,12+/m0/s1
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>1.00E+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 adenosine A3 receptor H272E mutant expressed in COS7 cells

J Med Chem 49: 2689-702 (2006)


Article DOI: 10.1021/jm050968b
BindingDB Entry DOI: 10.7270/Q24B323M
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50106539
PNG
((2S,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy...)
Show SMILES NCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H17N7O4/c13-1-2-15-11(22)8-6(20)7(21)12(23-8)19-4-18-5-9(14)16-3-17-10(5)19/h3-4,6-8,12,20-21H,1-2,13H2,(H,15,22)(H2,14,16,17)/t6-,7+,8-,12+/m0/s1
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>1.00E+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 wild type adenosine A3 receptor expressed in COS7 cells

J Med Chem 49: 2689-702 (2006)


Article DOI: 10.1021/jm050968b
BindingDB Entry DOI: 10.7270/Q24B323M
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50185932
PNG
(CHEMBL382194 | N6-(3-iodobenzyl)-9-(3-deoxy-3-urei...)
Show SMILES NC(=O)N[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C18H20IN7O4/c19-10-3-1-2-9(4-10)5-21-15-13-16(23-7-22-15)26(8-24-13)17-14(28)12(25-18(20)29)11(6-27)30-17/h1-4,7-8,11-12,14,17,27-28H,5-6H2,(H3,20,25,29)(H,21,22,23)/t11-,12-,14-,17-/m1/s1
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>1.00E+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 adenosine A3 receptor Q167E mutant expressed in COS7 cells

J Med Chem 49: 2689-702 (2006)


Article DOI: 10.1021/jm050968b
BindingDB Entry DOI: 10.7270/Q24B323M
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50185932
PNG
(CHEMBL382194 | N6-(3-iodobenzyl)-9-(3-deoxy-3-urei...)
Show SMILES NC(=O)N[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C18H20IN7O4/c19-10-3-1-2-9(4-10)5-21-15-13-16(23-7-22-15)26(8-24-13)17-14(28)12(25-18(20)29)11(6-27)30-17/h1-4,7-8,11-12,14,17,27-28H,5-6H2,(H3,20,25,29)(H,21,22,23)/t11-,12-,14-,17-/m1/s1
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n/an/an/an/a 180n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Activity against human adenosine A3 receptor H272E mutant expressed in COS7 cells as measured by accumulation of inositol phosphate by PLC assay

J Med Chem 49: 2689-702 (2006)


Article DOI: 10.1021/jm050968b
BindingDB Entry DOI: 10.7270/Q24B323M
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
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n/an/an/an/a 1.04E+4n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Activity against human adenosine A3 receptor H272E mutant expressed in COS7 cells as measured by accumulation of inositol phosphate by PLC assay

J Med Chem 49: 2689-702 (2006)


Article DOI: 10.1021/jm050968b
BindingDB Entry DOI: 10.7270/Q24B323M
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
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n/an/an/an/a 78n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Activity against human wild type adenosine A3 receptor expressed in COS7 cells as measured by accumulation of inositol phosphate by PLC assay

J Med Chem 49: 2689-702 (2006)


Article DOI: 10.1021/jm050968b
BindingDB Entry DOI: 10.7270/Q24B323M
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM14487
PNG
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
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n/an/an/an/a 1.04E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Activity against human wild type adenosine A3 receptor expressed in COS7 cells as measured by accumulation of inositol phosphate by PLC assay

J Med Chem 49: 2689-702 (2006)


Article DOI: 10.1021/jm050968b
BindingDB Entry DOI: 10.7270/Q24B323M
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%