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PubMed code 15341491

Compile data set for download or QSAR
Found 62 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))		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 |r|
Show InChI InChI=1S/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+/m0/s1
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PubMed
 1.10n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


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

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50152088
PNG
(2-[6-Amino-2-(1-benzyl-1H-pyrazol-4-yl)-purin-9-yl...)
Show SMILES Nc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C20H21N7O4/c21-17-14-19(27(10-22-14)20-16(30)15(29)13(9-28)31-20)25-18(24-17)12-6-23-26(8-12)7-11-4-2-1-3-5-11/h1-6,8,10,13,15-16,20,28-30H,7,9H2,(H2,21,24,25)/t13-,15-,16-,20?/m1/s1
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 1.5n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from recombinant human adenosine A2a receptor expressed in HEK cells

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50152070
PNG
(2-Hydroxymethyl-5-[6-methylamino-2-(4-pyridin-3-yl...)
Show SMILES CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1cccnc1
Show InChI InChI=1S/C19H20N8O4/c1-20-16-13-17(26(9-22-13)18-15(30)14(29)12(8-28)31-18)25-19(24-16)27-7-11(6-23-27)10-3-2-4-21-5-10/h2-7,9,12,14-15,18,28-30H,8H2,1H3,(H,20,24,25)/t12-,14-,15-,18?/m1/s1
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 2n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


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

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50152086
PNG
(2-Hydroxymethyl-5-[6-methylamino-2-(4-pyridin-2-yl...)
Show SMILES CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccccn1
Show InChI InChI=1S/C19H20N8O4/c1-20-16-13-17(26(9-22-13)18-15(30)14(29)12(8-28)31-18)25-19(24-16)27-7-10(6-23-27)11-4-2-3-5-21-11/h2-7,9,12,14-15,18,28-30H,8H2,1H3,(H,20,24,25)/t12-,14-,15-,18?/m1/s1
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 2n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


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

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50152087
PNG
(2-[2-(4-Benzooxazol-2-yl-pyrazol-1-yl)-6-methylami...)
Show SMILES CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1nc2ccccc2o1
Show InChI InChI=1S/C21H20N8O5/c1-22-17-14-18(28(9-23-14)20-16(32)15(31)13(8-30)34-20)27-21(26-17)29-7-10(6-24-29)19-25-11-4-2-3-5-12(11)33-19/h2-7,9,13,15-16,20,30-32H,8H2,1H3,(H,22,26,27)/t13-,15-,16-,20?/m1/s1
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 2n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


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

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50152071
PNG
(2-Hydroxymethyl-5-[6-methylamino-2-(4-quinolin-2-y...)
Show SMILES CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc2ccccc2n1
Show InChI InChI=1S/C23H22N8O4/c1-24-20-17-21(30(11-25-17)22-19(34)18(33)16(10-32)35-22)29-23(28-20)31-9-13(8-26-31)15-7-6-12-4-2-3-5-14(12)27-15/h2-9,11,16,18-19,22,32-34H,10H2,1H3,(H,24,28,29)/t16-,18-,19-,22?/m1/s1
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 3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


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

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50152090
PNG
(2-Hydroxymethyl-5-[6-methylamino-2-(4-pyridin-4-yl...)
Show SMILES CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccncc1
Show InChI InChI=1S/C19H20N8O4/c1-20-16-13-17(26(9-22-13)18-15(30)14(29)12(8-28)31-18)25-19(24-16)27-7-11(6-23-27)10-2-4-21-5-3-10/h2-7,9,12,14-15,18,28-30H,8H2,1H3,(H,20,24,25)/t12-,14-,15-,18?/m1/s1
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 6n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


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

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50152079
PNG
(2-{6-Amino-2-[4-(4-methoxy-phenyl)-pyrazol-1-yl]-p...)
Show SMILES COc1ccc(cc1)-c1cnn(c1)-c1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C20H21N7O5/c1-31-12-4-2-10(3-5-12)11-6-23-27(7-11)20-24-17(21)14-18(25-20)26(9-22-14)19-16(30)15(29)13(8-28)32-19/h2-7,9,13,15-16,19,28-30H,8H2,1H3,(H2,21,24,25)/t13-,15-,16-,19?/m1/s1
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>6n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


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

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50152088
PNG
(2-[6-Amino-2-(1-benzyl-1H-pyrazol-4-yl)-purin-9-yl...)
Show SMILES Nc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C20H21N7O4/c21-17-14-19(27(10-22-14)20-16(30)15(29)13(9-28)31-20)25-18(24-17)12-6-23-26(8-12)7-11-4-2-1-3-5-11/h1-6,8,10,13,15-16,20,28-30H,7,9H2,(H2,21,24,25)/t13-,15-,16-,20?/m1/s1
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>10n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


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

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50152075
PNG
(2-{2-[4-(4-Chloro-phenyl)-pyrazol-1-yl]-6-methylam...)
Show SMILES CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H20ClN7O4/c1-22-17-14-18(27(9-23-14)19-16(31)15(30)13(8-29)32-19)26-20(25-17)28-7-11(6-24-28)10-2-4-12(21)5-3-10/h2-7,9,13,15-16,19,29-31H,8H2,1H3,(H,22,25,26)/t13-,15-,16-,19?/m1/s1
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 10n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


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

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50152084
PNG
(1-[6-Amino-9-(3,4-dihydroxy-5-hydroxymethyl-tetrah...)
Show SMILES CNC(=O)c1cnn(c1)-c1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C15H18N8O5/c1-17-13(27)6-2-19-23(3-6)15-20-11(16)8-12(21-15)22(5-18-8)14-10(26)9(25)7(4-24)28-14/h2-3,5,7,9-10,14,24-26H,4H2,1H3,(H,17,27)(H2,16,20,21)/t7-,9-,10-,14?/m1/s1
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>10n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


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

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50152089
PNG
(2-Hydroxymethyl-5-{2-[4-(4-methoxy-phenyl)-pyrazol...)
Show SMILES CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(OC)cc1
Show InChI InChI=1S/C21H23N7O5/c1-22-18-15-19(27(10-23-15)20-17(31)16(30)14(9-29)33-20)26-21(25-18)28-8-12(7-24-28)11-3-5-13(32-2)6-4-11/h3-8,10,14,16-17,20,29-31H,9H2,1-2H3,(H,22,25,26)/t14-,16-,17-,20?/m1/s1
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 15n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


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

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50152077
PNG
(1-[9-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-fur...)
Show SMILES CCCNC(=O)c1cnn(c1)-c1nc(NC)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C18H24N8O5/c1-3-4-20-16(30)9-5-22-26(6-9)18-23-14(19-2)11-15(24-18)25(8-21-11)17-13(29)12(28)10(7-27)31-17/h5-6,8,10,12-13,17,27-29H,3-4,7H2,1-2H3,(H,20,30)(H,19,23,24)/t10-,12-,13-,17?/m1/s1
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 19n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


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

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50152080
PNG
(2-{6-Ethylamino-2-[4-(4-methoxy-phenyl)-pyrazol-1-...)
Show SMILES CCNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(OC)cc1
Show InChI InChI=1S/C22H25N7O5/c1-3-23-19-16-20(28(11-24-16)21-18(32)17(31)15(10-30)34-21)27-22(26-19)29-9-13(8-25-29)12-4-6-14(33-2)7-5-12/h4-9,11,15,17-18,21,30-32H,3,10H2,1-2H3,(H,23,26,27)/t15-,17-,18-,21?/m1/s1
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 41n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


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

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50152083
PNG
(1-[9-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-fur...)
Show SMILES CCNC(=O)c1cnn(c1)-c1nc(NC)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C17H22N8O5/c1-3-19-15(29)8-4-21-25(5-8)17-22-13(18-2)10-14(23-17)24(7-20-10)16-12(28)11(27)9(6-26)30-16/h4-5,7,9,11-12,16,26-28H,3,6H2,1-2H3,(H,19,29)(H,18,22,23)/t9-,11-,12-,16?/m1/s1
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 49n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


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

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50152091
PNG
(2-Hydroxymethyl-5-[6-(3-iodo-benzylamino)-2-(4-iso...)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(nc12)-n1cc(cn1)-c1nccc2ccccc12
Show InChI InChI=1S/C29H25IN8O4/c30-19-6-3-4-16(10-19)11-32-26-23-27(37(15-33-23)28-25(41)24(40)21(14-39)42-28)36-29(35-26)38-13-18(12-34-38)22-20-7-2-1-5-17(20)8-9-31-22/h1-10,12-13,15,21,24-25,28,39-41H,11,14H2,(H,32,35,36)/t21-,24-,25-,28?/m1/s1
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 52n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from recombinant human adenosine A2a receptor expressed in HEK cells

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(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 |r|
Show InChI InChI=1S/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+/m0/s1
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 54n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cells

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(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 |r|
Show InChI InChI=1S/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+/m0/s1
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 56n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from recombinant human adenosine A2a receptor expressed in HEK cells

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50152082
PNG
(2-Hydroxymethyl-5-{2-[4-(4-methoxy-phenyl)-pyrazol...)
Show SMILES CCCNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(OC)cc1
Show InChI InChI=1S/C23H27N7O5/c1-3-8-24-20-17-21(29(12-25-17)22-19(33)18(32)16(11-31)35-22)28-23(27-20)30-10-14(9-26-30)13-4-6-15(34-2)7-5-13/h4-7,9-10,12,16,18-19,22,31-33H,3,8,11H2,1-2H3,(H,24,27,28)/t16-,18-,19-,22?/m1/s1
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 60n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


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

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50152074
PNG
(1-[9-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-fur...)
Show SMILES CNC(=O)c1cnn(c1)-c1nc(NC)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H20N8O5/c1-17-12-9-13(22-16(21-12)24-4-7(3-20-24)14(28)18-2)23(6-19-9)15-11(27)10(26)8(5-25)29-15/h3-4,6,8,10-11,15,25-27H,5H2,1-2H3,(H,18,28)(H,17,21,22)/t8-,10-,11-,15?/m1/s1
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 73n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


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

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50152069
PNG
(2-[2-(1-Benzyl-1H-pyrazol-4-yl)-6-methylamino-puri...)
Show SMILES CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C21H23N7O4/c1-22-19-15-20(28(11-23-15)21-17(31)16(30)14(10-29)32-21)26-18(25-19)13-7-24-27(9-13)8-12-5-3-2-4-6-12/h2-7,9,11,14,16-17,21,29-31H,8,10H2,1H3,(H,22,25,26)/t14-,16-,17-,21?/m1/s1
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 97n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


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

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50152078
PNG
(2-[6-Ethylamino-2-(4-pyridin-2-yl-pyrazol-1-yl)-pu...)
Show SMILES CCNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccccn1
Show InChI InChI=1S/C20H22N8O4/c1-2-21-17-14-18(27(10-23-14)19-16(31)15(30)13(9-29)32-19)26-20(25-17)28-8-11(7-24-28)12-5-3-4-6-22-12/h3-8,10,13,15-16,19,29-31H,2,9H2,1H3,(H,21,25,26)/t13-,15-,16-,19?/m1/s1
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 107n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


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

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50152091
PNG
(2-Hydroxymethyl-5-[6-(3-iodo-benzylamino)-2-(4-iso...)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(nc12)-n1cc(cn1)-c1nccc2ccccc12
Show InChI InChI=1S/C29H25IN8O4/c30-19-6-3-4-16(10-19)11-32-26-23-27(37(15-33-23)28-25(41)24(40)21(14-39)42-28)36-29(35-26)38-13-18(12-34-38)22-20-7-2-1-5-17(20)8-9-31-22/h1-10,12-13,15,21,24-25,28,39-41H,11,14H2,(H,32,35,36)/t21-,24-,25-,28?/m1/s1
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 109n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


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

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50152085
PNG
(2-[2-(1-Benzyl-1H-pyrazol-4-yl)-6-propylamino-puri...)
Show SMILES CCCNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C23H27N7O4/c1-2-8-24-21-17-22(30(13-25-17)23-19(33)18(32)16(12-31)34-23)28-20(27-21)15-9-26-29(11-15)10-14-6-4-3-5-7-14/h3-7,9,11,13,16,18-19,23,31-33H,2,8,10,12H2,1H3,(H,24,27,28)/t16-,18-,19-,23?/m1/s1
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 148n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


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

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50152073
PNG
(1-[9-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-fur...)
Show SMILES CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C22H23ClN8O5/c1-24-18-15-19(30(10-26-15)21-17(34)16(33)14(9-32)36-21)29-22(28-18)31-8-12(7-27-31)20(35)25-6-11-2-4-13(23)5-3-11/h2-5,7-8,10,14,16-17,21,32-34H,6,9H2,1H3,(H,25,35)(H,24,28,29)/t14-,16-,17-,21?/m1/s1
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 157n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


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

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50152076
PNG
(2-Hydroxymethyl-5-[6-(3-iodo-benzylamino)-2-(4-pyr...)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(nc12)-n1cc(cn1)-c1ccccn1
Show InChI InChI=1S/C25H23IN8O4/c26-16-5-3-4-14(8-16)9-28-22-19-23(33(13-29-19)24-21(37)20(36)18(12-35)38-24)32-25(31-22)34-11-15(10-30-34)17-6-1-2-7-27-17/h1-8,10-11,13,18,20-21,24,35-37H,9,12H2,(H,28,31,32)/t18-,20-,21-,24?/m1/s1
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 170n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


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

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50152079
PNG
(2-{6-Amino-2-[4-(4-methoxy-phenyl)-pyrazol-1-yl]-p...)
Show SMILES COc1ccc(cc1)-c1cnn(c1)-c1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C20H21N7O5/c1-31-12-4-2-10(3-5-12)11-6-23-27(7-11)20-24-17(21)14-18(25-20)26(9-22-14)19-16(30)15(29)13(8-28)32-19/h2-7,9,13,15-16,19,28-30H,8H2,1H3,(H2,21,24,25)/t13-,15-,16-,19?/m1/s1
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 190n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from recombinant human adenosine A2a receptor expressed in HEK cells

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50152084
PNG
(1-[6-Amino-9-(3,4-dihydroxy-5-hydroxymethyl-tetrah...)
Show SMILES CNC(=O)c1cnn(c1)-c1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C15H18N8O5/c1-17-13(27)6-2-19-23(3-6)15-20-11(16)8-12(21-15)22(5-18-8)14-10(26)9(25)7(4-24)28-14/h2-3,5,7,9-10,14,24-26H,4H2,1H3,(H,17,27)(H2,16,20,21)/t7-,9-,10-,14?/m1/s1
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 297n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from recombinant human adenosine A2a receptor expressed in HEK cells

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50152092
PNG
(2-Hydroxymethyl-5-{6-(3-iodo-benzylamino)-2-[4-(4-...)
Show SMILES COc1ccc(cc1)-c1cnn(c1)-c1nc(NCc2cccc(I)c2)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C27H26IN7O5/c1-39-19-7-5-16(6-8-19)17-11-31-35(12-17)27-32-24(29-10-15-3-2-4-18(28)9-15)21-25(33-27)34(14-30-21)26-23(38)22(37)20(13-36)40-26/h2-9,11-12,14,20,22-23,26,36-38H,10,13H2,1H3,(H,29,32,33)/t20-,22-,23-,26?/m1/s1
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 320n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


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

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50152091
PNG
(2-Hydroxymethyl-5-[6-(3-iodo-benzylamino)-2-(4-iso...)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(nc12)-n1cc(cn1)-c1nccc2ccccc12
Show InChI InChI=1S/C29H25IN8O4/c30-19-6-3-4-16(10-19)11-32-26-23-27(37(15-33-23)28-25(41)24(40)21(14-39)42-28)36-29(35-26)38-13-18(12-34-38)22-20-7-2-1-5-17(20)8-9-31-22/h1-10,12-13,15,21,24-25,28,39-41H,11,14H2,(H,32,35,36)/t21-,24-,25-,28?/m1/s1
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 770n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cells

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50152069
PNG
(2-[2-(1-Benzyl-1H-pyrazol-4-yl)-6-methylamino-puri...)
Show SMILES CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C21H23N7O4/c1-22-19-15-20(28(11-23-15)21-17(31)16(30)14(10-29)32-21)26-18(25-19)13-7-24-27(9-13)8-12-5-3-2-4-6-12/h2-7,9,11,14,16-17,21,29-31H,8,10H2,1H3,(H,22,25,26)/t14-,16-,17-,21?/m1/s1
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 1.30E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cells

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50152078
PNG
(2-[6-Ethylamino-2-(4-pyridin-2-yl-pyrazol-1-yl)-pu...)
Show SMILES CCNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccccn1
Show InChI InChI=1S/C20H22N8O4/c1-2-21-17-14-18(27(10-23-14)19-16(31)15(30)13(9-29)32-19)26-20(25-17)28-8-11(7-24-28)12-5-3-4-6-22-12/h3-8,10,13,15-16,19,29-31H,2,9H2,1H3,(H,21,25,26)/t13-,15-,16-,19?/m1/s1
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 1.30E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cells

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50152070
PNG
(2-Hydroxymethyl-5-[6-methylamino-2-(4-pyridin-3-yl...)
Show SMILES CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1cccnc1
Show InChI InChI=1S/C19H20N8O4/c1-20-16-13-17(26(9-22-13)18-15(30)14(29)12(8-28)31-18)25-19(24-16)27-7-11(6-23-27)10-3-2-4-21-5-10/h2-7,9,12,14-15,18,28-30H,8H2,1H3,(H,20,24,25)/t12-,14-,15-,18?/m1/s1
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 1.80E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cells

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50152078
PNG
(2-[6-Ethylamino-2-(4-pyridin-2-yl-pyrazol-1-yl)-pu...)
Show SMILES CCNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccccn1
Show InChI InChI=1S/C20H22N8O4/c1-2-21-17-14-18(27(10-23-14)19-16(31)15(30)13(9-29)32-19)26-20(25-17)28-8-11(7-24-28)12-5-3-4-6-22-12/h3-8,10,13,15-16,19,29-31H,2,9H2,1H3,(H,21,25,26)/t13-,15-,16-,19?/m1/s1
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 1.80E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from recombinant human adenosine A2a receptor expressed in HEK cells

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50152073
PNG
(1-[9-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-fur...)
Show SMILES CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C22H23ClN8O5/c1-24-18-15-19(30(10-26-15)21-17(34)16(33)14(9-32)36-21)29-22(28-18)31-8-12(7-27-31)20(35)25-6-11-2-4-13(23)5-3-11/h2-5,7-8,10,14,16-17,21,32-34H,6,9H2,1H3,(H,25,35)(H,24,28,29)/t14-,16-,17-,21?/m1/s1
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 2.00E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cells

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50152087
PNG
(2-[2-(4-Benzooxazol-2-yl-pyrazol-1-yl)-6-methylami...)
Show SMILES CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1nc2ccccc2o1
Show InChI InChI=1S/C21H20N8O5/c1-22-17-14-18(28(9-23-14)20-16(32)15(31)13(8-30)34-20)27-21(26-17)29-7-10(6-24-29)19-25-11-4-2-3-5-12(11)33-19/h2-7,9,13,15-16,20,30-32H,8H2,1H3,(H,22,26,27)/t13-,15-,16-,20?/m1/s1
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 2.50E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from recombinant human adenosine A2a receptor expressed in HEK cells

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50152087
PNG
(2-[2-(4-Benzooxazol-2-yl-pyrazol-1-yl)-6-methylami...)
Show SMILES CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1nc2ccccc2o1
Show InChI InChI=1S/C21H20N8O5/c1-22-17-14-18(28(9-23-14)20-16(32)15(31)13(8-30)34-20)27-21(26-17)29-7-10(6-24-29)19-25-11-4-2-3-5-12(11)33-19/h2-7,9,13,15-16,20,30-32H,8H2,1H3,(H,22,26,27)/t13-,15-,16-,20?/m1/s1
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 2.60E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cells

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50152082
PNG
(2-Hydroxymethyl-5-{2-[4-(4-methoxy-phenyl)-pyrazol...)
Show SMILES CCCNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(OC)cc1
Show InChI InChI=1S/C23H27N7O5/c1-3-8-24-20-17-21(29(12-25-17)22-19(33)18(32)16(11-31)35-22)28-23(27-20)30-10-14(9-26-30)13-4-6-15(34-2)7-5-13/h4-7,9-10,12,16,18-19,22,31-33H,3,8,11H2,1-2H3,(H,24,27,28)/t16-,18-,19-,22?/m1/s1
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 3.00E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cells

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50152082
PNG
(2-Hydroxymethyl-5-{2-[4-(4-methoxy-phenyl)-pyrazol...)
Show SMILES CCCNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(OC)cc1
Show InChI InChI=1S/C23H27N7O5/c1-3-8-24-20-17-21(29(12-25-17)22-19(33)18(32)16(11-31)35-22)28-23(27-20)30-10-14(9-26-30)13-4-6-15(34-2)7-5-13/h4-7,9-10,12,16,18-19,22,31-33H,3,8,11H2,1-2H3,(H,24,27,28)/t16-,18-,19-,22?/m1/s1
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 3.30E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from recombinant human adenosine A2a receptor expressed in HEK cells

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50152080
PNG
(2-{6-Ethylamino-2-[4-(4-methoxy-phenyl)-pyrazol-1-...)
Show SMILES CCNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(OC)cc1
Show InChI InChI=1S/C22H25N7O5/c1-3-23-19-16-20(28(11-24-16)21-18(32)17(31)15(10-30)34-21)27-22(26-19)29-9-13(8-25-29)12-4-6-14(33-2)7-5-12/h4-9,11,15,17-18,21,30-32H,3,10H2,1-2H3,(H,23,26,27)/t15-,17-,18-,21?/m1/s1
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 3.70E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cells

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50152090
PNG
(2-Hydroxymethyl-5-[6-methylamino-2-(4-pyridin-4-yl...)
Show SMILES CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccncc1
Show InChI InChI=1S/C19H20N8O4/c1-20-16-13-17(26(9-22-13)18-15(30)14(29)12(8-28)31-18)25-19(24-16)27-7-11(6-23-27)10-2-4-21-5-3-10/h2-7,9,12,14-15,18,28-30H,8H2,1H3,(H,20,24,25)/t12-,14-,15-,18?/m1/s1
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 3.80E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cells

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50152086
PNG
(2-Hydroxymethyl-5-[6-methylamino-2-(4-pyridin-2-yl...)
Show SMILES CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccccn1
Show InChI InChI=1S/C19H20N8O4/c1-20-16-13-17(26(9-22-13)18-15(30)14(29)12(8-28)31-18)25-19(24-16)27-7-10(6-23-27)11-4-2-3-5-21-11/h2-7,9,12,14-15,18,28-30H,8H2,1H3,(H,20,24,25)/t12-,14-,15-,18?/m1/s1
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 3.80E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cells

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50152076
PNG
(2-Hydroxymethyl-5-[6-(3-iodo-benzylamino)-2-(4-pyr...)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(nc12)-n1cc(cn1)-c1ccccn1
Show InChI InChI=1S/C25H23IN8O4/c26-16-5-3-4-14(8-16)9-28-22-19-23(33(13-29-19)24-21(37)20(36)18(12-35)38-24)32-25(31-22)34-11-15(10-30-34)17-6-1-2-7-27-17/h1-8,10-11,13,18,20-21,24,35-37H,9,12H2,(H,28,31,32)/t18-,20-,21-,24?/m1/s1
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>3.90E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from recombinant human adenosine A2a receptor expressed in HEK cells

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50152089
PNG
(2-Hydroxymethyl-5-{2-[4-(4-methoxy-phenyl)-pyrazol...)
Show SMILES CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(OC)cc1
Show InChI InChI=1S/C21H23N7O5/c1-22-18-15-19(27(10-23-15)20-17(31)16(30)14(9-29)33-20)26-21(25-18)28-8-12(7-24-28)11-3-5-13(32-2)6-4-11/h3-8,10,14,16-17,20,29-31H,9H2,1-2H3,(H,22,25,26)/t14-,16-,17-,20?/m1/s1
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>4.00E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cells

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50152077
PNG
(1-[9-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-fur...)
Show SMILES CCCNC(=O)c1cnn(c1)-c1nc(NC)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C18H24N8O5/c1-3-4-20-16(30)9-5-22-26(6-9)18-23-14(19-2)11-15(24-18)25(8-21-11)17-13(29)12(28)10(7-27)31-17/h5-6,8,10,12-13,17,27-29H,3-4,7H2,1-2H3,(H,20,30)(H,19,23,24)/t10-,12-,13-,17?/m1/s1
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>4.00E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cells

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50152077
PNG
(1-[9-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-fur...)
Show SMILES CCCNC(=O)c1cnn(c1)-c1nc(NC)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C18H24N8O5/c1-3-4-20-16(30)9-5-22-26(6-9)18-23-14(19-2)11-15(24-18)25(8-21-11)17-13(29)12(28)10(7-27)31-17/h5-6,8,10,12-13,17,27-29H,3-4,7H2,1-2H3,(H,20,30)(H,19,23,24)/t10-,12-,13-,17?/m1/s1
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>4.00E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from recombinant human adenosine A2a receptor expressed in HEK cells

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50152073
PNG
(1-[9-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-fur...)
Show SMILES CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C22H23ClN8O5/c1-24-18-15-19(30(10-26-15)21-17(34)16(33)14(9-32)36-21)29-22(28-18)31-8-12(7-27-31)20(35)25-6-11-2-4-13(23)5-3-11/h2-5,7-8,10,14,16-17,21,32-34H,6,9H2,1H3,(H,25,35)(H,24,28,29)/t14-,16-,17-,21?/m1/s1
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 4.00E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from recombinant human adenosine A2a receptor expressed in HEK cells

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50152092
PNG
(2-Hydroxymethyl-5-{6-(3-iodo-benzylamino)-2-[4-(4-...)
Show SMILES COc1ccc(cc1)-c1cnn(c1)-c1nc(NCc2cccc(I)c2)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C27H26IN7O5/c1-39-19-7-5-16(6-8-19)17-11-31-35(12-17)27-32-24(29-10-15-3-2-4-18(28)9-15)21-25(33-27)34(14-30-21)26-23(38)22(37)20(13-36)40-26/h2-9,11-12,14,20,22-23,26,36-38H,10,13H2,1H3,(H,29,32,33)/t20-,22-,23-,26?/m1/s1
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 4.00E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from recombinant human adenosine A2a receptor expressed in HEK cells

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50152080
PNG
(2-{6-Ethylamino-2-[4-(4-methoxy-phenyl)-pyrazol-1-...)
Show SMILES CCNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(OC)cc1
Show InChI InChI=1S/C22H25N7O5/c1-3-23-19-16-20(28(11-24-16)21-18(32)17(31)15(10-30)34-21)27-22(26-19)29-9-13(8-25-29)12-4-6-14(33-2)7-5-12/h4-9,11,15,17-18,21,30-32H,3,10H2,1-2H3,(H,23,26,27)/t15-,17-,18-,21?/m1/s1
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 4.00E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from recombinant human adenosine A2a receptor expressed in HEK cells

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50152070
PNG
(2-Hydroxymethyl-5-[6-methylamino-2-(4-pyridin-3-yl...)
Show SMILES CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1cccnc1
Show InChI InChI=1S/C19H20N8O4/c1-20-16-13-17(26(9-22-13)18-15(30)14(29)12(8-28)31-18)25-19(24-16)27-7-11(6-23-27)10-3-2-4-21-5-10/h2-7,9,12,14-15,18,28-30H,8H2,1H3,(H,20,24,25)/t12-,14-,15-,18?/m1/s1
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 4.10E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from recombinant human adenosine A2a receptor expressed in HEK cells

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50152076
PNG
(2-Hydroxymethyl-5-[6-(3-iodo-benzylamino)-2-(4-pyr...)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(nc12)-n1cc(cn1)-c1ccccn1
Show InChI InChI=1S/C25H23IN8O4/c26-16-5-3-4-14(8-16)9-28-22-19-23(33(13-29-19)24-21(37)20(36)18(12-35)38-24)32-25(31-22)34-11-15(10-30-34)17-6-1-2-7-27-17/h1-8,10-11,13,18,20-21,24,35-37H,9,12H2,(H,28,31,32)/t18-,20-,21-,24?/m1/s1
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 4.20E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cells

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50152092
PNG
(2-Hydroxymethyl-5-{6-(3-iodo-benzylamino)-2-[4-(4-...)
Show SMILES COc1ccc(cc1)-c1cnn(c1)-c1nc(NCc2cccc(I)c2)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C27H26IN7O5/c1-39-19-7-5-16(6-8-19)17-11-31-35(12-17)27-32-24(29-10-15-3-2-4-18(28)9-15)21-25(33-27)34(14-30-21)26-23(38)22(37)20(13-36)40-26/h2-9,11-12,14,20,22-23,26,36-38H,10,13H2,1H3,(H,29,32,33)/t20-,22-,23-,26?/m1/s1
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 4.50E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cells

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50152071
PNG
(2-Hydroxymethyl-5-[6-methylamino-2-(4-quinolin-2-y...)
Show SMILES CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc2ccccc2n1
Show InChI InChI=1S/C23H22N8O4/c1-24-20-17-21(30(11-25-17)22-19(34)18(33)16(10-32)35-22)29-23(28-20)31-9-13(8-26-31)15-7-6-12-4-2-3-5-14(12)27-15/h2-9,11,16,18-19,22,32-34H,10H2,1H3,(H,24,28,29)/t16-,18-,19-,22?/m1/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from recombinant human adenosine A2a receptor expressed in HEK cells

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50152090
PNG
(2-Hydroxymethyl-5-[6-methylamino-2-(4-pyridin-4-yl...)
Show SMILES CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccncc1
Show InChI InChI=1S/C19H20N8O4/c1-20-16-13-17(26(9-22-13)18-15(30)14(29)12(8-28)31-18)25-19(24-16)27-7-11(6-23-27)10-2-4-21-5-3-10/h2-7,9,12,14-15,18,28-30H,8H2,1H3,(H,20,24,25)/t12-,14-,15-,18?/m1/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from recombinant human adenosine A2a receptor expressed in HEK cells

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50152071
PNG
(2-Hydroxymethyl-5-[6-methylamino-2-(4-quinolin-2-y...)
Show SMILES CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc2ccccc2n1
Show InChI InChI=1S/C23H22N8O4/c1-24-20-17-21(30(11-25-17)22-19(34)18(33)16(10-32)35-22)29-23(28-20)31-9-13(8-26-31)15-7-6-12-4-2-3-5-14(12)27-15/h2-9,11,16,18-19,22,32-34H,10H2,1H3,(H,24,28,29)/t16-,18-,19-,22?/m1/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cells

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50152086
PNG
(2-Hydroxymethyl-5-[6-methylamino-2-(4-pyridin-2-yl...)
Show SMILES CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccccn1
Show InChI InChI=1S/C19H20N8O4/c1-20-16-13-17(26(9-22-13)18-15(30)14(29)12(8-28)31-18)25-19(24-16)27-7-10(6-23-27)11-4-2-3-5-21-11/h2-7,9,12,14-15,18,28-30H,8H2,1H3,(H,20,24,25)/t12-,14-,15-,18?/m1/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from recombinant human adenosine A2a receptor expressed in HEK cells

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50152089
PNG
(2-Hydroxymethyl-5-{2-[4-(4-methoxy-phenyl)-pyrazol...)
Show SMILES CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(OC)cc1
Show InChI InChI=1S/C21H23N7O5/c1-22-18-15-19(27(10-23-15)20-17(31)16(30)14(9-29)33-20)26-21(25-18)28-8-12(7-24-28)11-3-5-13(32-2)6-4-11/h3-8,10,14,16-17,20,29-31H,9H2,1-2H3,(H,22,25,26)/t14-,16-,17-,20?/m1/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from recombinant human adenosine A2a receptor expressed in HEK cells

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50152069
PNG
(2-[2-(1-Benzyl-1H-pyrazol-4-yl)-6-methylamino-puri...)
Show SMILES CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C21H23N7O4/c1-22-19-15-20(28(11-23-15)21-17(31)16(30)14(10-29)32-21)26-18(25-19)13-7-24-27(9-13)8-12-5-3-2-4-6-12/h2-7,9,11,14,16-17,21,29-31H,8,10H2,1H3,(H,22,25,26)/t14-,16-,17-,21?/m1/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from recombinant human adenosine A2a receptor expressed in HEK cells

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50152075
PNG
(2-{2-[4-(4-Chloro-phenyl)-pyrazol-1-yl]-6-methylam...)
Show SMILES CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H20ClN7O4/c1-22-17-14-18(27(9-23-14)19-16(31)15(30)13(8-29)32-19)26-20(25-17)28-7-11(6-24-28)10-2-4-12(21)5-3-10/h2-7,9,13,15-16,19,29-31H,8H2,1H3,(H,22,25,26)/t13-,15-,16-,19?/m1/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from recombinant human adenosine A2a receptor expressed in HEK cells

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50152075
PNG
(2-{2-[4-(4-Chloro-phenyl)-pyrazol-1-yl]-6-methylam...)
Show SMILES CNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H20ClN7O4/c1-22-17-14-18(27(9-23-14)19-16(31)15(30)13(8-29)32-19)26-20(25-17)28-7-11(6-24-28)10-2-4-12(21)5-3-10/h2-7,9,13,15-16,19,29-31H,8H2,1H3,(H,22,25,26)/t13-,15-,16-,19?/m1/s1
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>6.00E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cells

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50152074
PNG
(1-[9-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-fur...)
Show SMILES CNC(=O)c1cnn(c1)-c1nc(NC)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H20N8O5/c1-17-12-9-13(22-16(21-12)24-4-7(3-20-24)14(28)18-2)23(6-19-9)15-11(27)10(26)8(5-25)29-15/h3-4,6,8,10-11,15,25-27H,5H2,1-2H3,(H,18,28)(H,17,21,22)/t8-,10-,11-,15?/m1/s1
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>6.00E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cells

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50152074
PNG
(1-[9-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-fur...)
Show SMILES CNC(=O)c1cnn(c1)-c1nc(NC)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H20N8O5/c1-17-12-9-13(22-16(21-12)24-4-7(3-20-24)14(28)18-2)23(6-19-9)15-11(27)10(26)8(5-25)29-15/h3-4,6,8,10-11,15,25-27H,5H2,1-2H3,(H,18,28)(H,17,21,22)/t8-,10-,11-,15?/m1/s1
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>6.00E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from recombinant human adenosine A2a receptor expressed in HEK cells

J Med Chem 47: 4766-73 (2004)


Article DOI: 10.1021/jm049682h
BindingDB Entry DOI: 10.7270/Q2959JBN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%