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PubMed code 9435909

Compile data set for download or QSAR
Found 90 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 A2a


(Rattus norvegicus (rat))		BDBM50061942
PNG
(8-[(E)-2-(3-Chloro-phenyl)-vinyl]-7-methyl-3-propy...)
Show SMILES CCCn1c2nc(\C=C\c3cccc(Cl)c3)n(C)c2c(=O)n(CC#C)c1=O
Show InChI InChI=1S/C20H19ClN4O2/c1-4-11-24-18-17(19(26)25(12-5-2)20(24)27)23(3)16(22-18)10-9-14-7-6-8-15(21)13-14/h2,6-10,13H,4,11-12H2,1,3H3/b10-9+
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 5.10n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50061927
PNG
(8-[(E)-2-(3-Bromo-phenyl)-vinyl]-3,7-dimethyl-1-pr...)
Show SMILES Cn1c(\C=C\c2cccc(Br)c2)nc2n(C)c(=O)n(CC#C)c(=O)c12
Show InChI InChI=1S/C18H15BrN4O2/c1-4-10-23-17(24)15-16(22(3)18(23)25)20-14(21(15)2)9-8-12-6-5-7-13(19)11-12/h1,5-9,11H,10H2,2-3H3/b9-8+
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 8.20n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50006710
PNG
(8-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-7-methyl-1,...)
Show SMILES CCCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C22H28N4O4/c1-6-12-25-20-19(21(27)26(13-7-2)22(25)28)24(3)18(23-20)11-9-15-8-10-16(29-4)17(14-15)30-5/h8-11,14H,6-7,12-13H2,1-5H3/b11-9+
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 8.5n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50061931
PNG
(8-[(E)-2-(3-Chloro-phenyl)-vinyl]-3,7-dimethyl-1-p...)
Show SMILES Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(CC#C)c(=O)c12
Show InChI InChI=1S/C18H15ClN4O2/c1-4-10-23-17(24)15-16(22(3)18(23)25)20-14(21(15)2)9-8-12-6-5-7-13(19)11-12/h1,5-9,11H,10H2,2-3H3/b9-8+
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 13n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50061938
PNG
(8-[(E)-2-(3-Chloro-phenyl)-vinyl]-3-isobutyl-7-met...)
Show SMILES CC(C)Cn1c2nc(\C=C\c3cccc(Cl)c3)n(C)c2c(=O)n(CC#C)c1=O
Show InChI InChI=1S/C21H21ClN4O2/c1-5-11-25-20(27)18-19(26(21(25)28)13-14(2)3)23-17(24(18)4)10-9-15-7-6-8-16(22)12-15/h1,6-10,12,14H,11,13H2,2-4H3/b10-9+
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 15n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50061933
PNG
(8-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-3,7-dimethy...)
Show SMILES COc1ccc(\C=C\c2nc3n(C)c(=O)n(CC#C)c(=O)c3n2C)cc1OC
Show InChI InChI=1S/C20H20N4O4/c1-6-11-24-19(25)17-18(23(3)20(24)26)21-16(22(17)2)10-8-13-7-9-14(27-4)15(12-13)28-5/h1,7-10,12H,11H2,2-5H3/b10-8+
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 15n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50047166
PNG
(8-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-1,3,7-trime...)
Show SMILES COc1ccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc1OC
Show InChI InChI=1S/C18H20N4O4/c1-20-14(9-7-11-6-8-12(25-4)13(10-11)26-5)19-16-15(20)17(23)22(3)18(24)21(16)2/h6-10H,1-5H3/b9-7+
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 18n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50061949
PNG
(3,7-Dimethyl-1-prop-2-ynyl-8-((E)-2-thiophen-3-yl-...)
Show SMILES Cn1c(\C=C\c2ccsc2)nc2n(C)c(=O)n(CC#C)c(=O)c12
Show InChI InChI=1S/C16H14N4O2S/c1-4-8-20-15(21)13-14(19(3)16(20)22)17-12(18(13)2)6-5-11-7-9-23-10-11/h1,5-7,9-10H,8H2,2-3H3/b6-5+
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 24n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50061947
PNG
(3,7-Dimethyl-1-prop-2-ynyl-8-((E)-styryl)-3,7-dihy...)
Show SMILES Cn1c(\C=C\c2ccccc2)nc2n(C)c(=O)n(CC#C)c(=O)c12
Show InChI InChI=1S/C18H16N4O2/c1-4-12-22-17(23)15-16(21(3)18(22)24)19-14(20(15)2)11-10-13-8-6-5-7-9-13/h1,5-11H,12H2,2-3H3/b11-10+
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 27n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50061934
PNG
(8-[(E)-2-(3-Chloro-phenyl)-vinyl]-3,7-dimethyl-1-p...)
Show SMILES CCCn1c(=O)n(C)c2nc(\C=C\c3cccc(Cl)c3)n(C)c2c1=O
Show InChI InChI=1S/C18H19ClN4O2/c1-4-10-23-17(24)15-16(22(3)18(23)25)20-14(21(15)2)9-8-12-6-5-7-13(19)11-12/h5-9,11H,4,10H2,1-3H3/b9-8+
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 31n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50061950
PNG
(8-((E)-2-Benzo[1,3]dioxol-5-yl-vinyl)-3,7-dimethyl...)
Show SMILES Cn1c(\C=C\c2ccc3OCOc3c2)nc2n(C)c(=O)n(CC#C)c(=O)c12
Show InChI InChI=1S/C19H16N4O4/c1-4-9-23-18(24)16-17(22(3)19(23)25)20-15(21(16)2)8-6-12-5-7-13-14(10-12)27-11-26-13/h1,5-8,10H,9,11H2,2-3H3/b8-6+
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 35n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50037429
PNG
(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)
Show SMILES Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H15ClN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b8-7+
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 36n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50061948
PNG
(8-[(E)-2-(3-Chloro-phenyl)-vinyl]-3-isobutyl-1-pro...)
Show SMILES CC(C)Cn1c2nc(C=Cc3cccc(Cl)c3)[nH]c2c(=O)n(CC#C)c1=O |w:9.9|
Show InChI InChI=1S/C20H19ClN4O2/c1-4-10-24-19(26)17-18(25(20(24)27)12-13(2)3)23-16(22-17)9-8-14-6-5-7-15(21)11-14/h1,5-9,11,13H,10,12H2,2-3H3,(H,22,23)
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 46n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50061931
PNG
(8-[(E)-2-(3-Chloro-phenyl)-vinyl]-3,7-dimethyl-1-p...)
Show SMILES Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(CC#C)c(=O)c12
Show InChI InChI=1S/C18H15ClN4O2/c1-4-10-23-17(24)15-16(22(3)18(23)25)20-14(21(15)2)9-8-12-6-5-7-13(19)11-12/h1,5-9,11H,10H2,2-3H3/b9-8+
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 47n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-NECA to Adenosine A2A receptor in rat brain striatal membranes

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50061932
PNG
(8-[(E)-2-(3-Chloro-phenyl)-vinyl]-3-methyl-1,7-di-...)
Show SMILES Cn1c2nc(\C=C\c3cccc(Cl)c3)n(CC#C)c2c(=O)n(CC#C)c1=O
Show InChI InChI=1S/C20H15ClN4O2/c1-4-11-24-16(10-9-14-7-6-8-15(21)13-14)22-18-17(24)19(26)25(12-5-2)20(27)23(18)3/h1-2,6-10,13H,11-12H2,3H3/b10-9+
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 61n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50061941
PNG
(1-Allyl-3,7-dimethyl-8-((E)-styryl)-3,7-dihydro-pu...)
Show SMILES Cn1c(\C=C\c2ccccc2)nc2n(C)c(=O)n(CC=C)c(=O)c12
Show InChI InChI=1S/C18H18N4O2/c1-4-12-22-17(23)15-16(21(3)18(22)24)19-14(20(15)2)11-10-13-8-6-5-7-9-13/h4-11H,1,12H2,2-3H3/b11-10+
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 63n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50061935
PNG
(3-Benzyl-8-[(E)-2-(3-chloro-phenyl)-vinyl]-7-methy...)
Show SMILES Cn1c(\C=C\c2cccc(Cl)c2)nc2n(Cc3ccccc3)c(=O)n(CC#C)c(=O)c12
Show InChI InChI=1S/C24H19ClN4O2/c1-3-14-28-23(30)21-22(29(24(28)31)16-18-8-5-4-6-9-18)26-20(27(21)2)13-12-17-10-7-11-19(25)15-17/h1,4-13,15H,14,16H2,2H3/b13-12+
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 68n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50061948
PNG
(8-[(E)-2-(3-Chloro-phenyl)-vinyl]-3-isobutyl-1-pro...)
Show SMILES CC(C)Cn1c2nc(C=Cc3cccc(Cl)c3)[nH]c2c(=O)n(CC#C)c1=O |w:9.9|
Show InChI InChI=1S/C20H19ClN4O2/c1-4-10-24-19(26)17-18(25(20(24)27)12-13(2)3)23-16(22-17)9-8-14-6-5-7-15(21)11-14/h1,5-9,11,13H,10,12H2,2-3H3,(H,22,23)
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 83n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CHA to adenosine A1 receptor in rat brain cortical membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50041576
PNG
(1,3,7-Trimethyl-8-((E)-styryl)-3,7-dihydro-purine-...)
Show SMILES Cn1c(\C=C\c2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H16N4O2/c1-18-12(10-9-11-7-5-4-6-8-11)17-14-13(18)15(21)20(3)16(22)19(14)2/h4-10H,1-3H3/b10-9+
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 94n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50061942
PNG
(8-[(E)-2-(3-Chloro-phenyl)-vinyl]-7-methyl-3-propy...)
Show SMILES CCCn1c2nc(\C=C\c3cccc(Cl)c3)n(C)c2c(=O)n(CC#C)c1=O
Show InChI InChI=1S/C20H19ClN4O2/c1-4-11-24-18-17(19(26)25(12-5-2)20(24)27)23(3)16(22-18)10-9-14-7-6-8-15(21)13-14/h2,6-10,13H,4,11-12H2,1,3H3/b10-9+
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 102n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CHA to adenosine A1 receptor in rat brain cortical membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50061940
PNG
(1-Prop-2-ynyl-8-thiophen-2-yl-3,7-dihydro-purine-2...)
Show SMILES O=c1[nH]c2nc([nH]c2c(=O)n1CC#C)-c1cccs1
Show InChI InChI=1S/C12H8N4O2S/c1-2-5-16-11(17)8-10(15-12(16)18)14-9(13-8)7-4-3-6-19-7/h1,3-4,6H,5H2,(H,13,14)(H,15,18)
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 120n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-R-PIA to Adenosine A1 receptor in rat brain cortical membranes

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50061947
PNG
(3,7-Dimethyl-1-prop-2-ynyl-8-((E)-styryl)-3,7-dihy...)
Show SMILES Cn1c(\C=C\c2ccccc2)nc2n(C)c(=O)n(CC#C)c(=O)c12
Show InChI InChI=1S/C18H16N4O2/c1-4-12-22-17(23)15-16(21(3)18(22)24)19-14(20(15)2)11-10-13-8-6-5-7-9-13/h1,5-11H,12H2,2-3H3/b11-10+
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 140n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-NECA to Adenosine A2A receptor in rat brain striatal membranes

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50061944
PNG
(8-((E)-2-Benzo[1,3]dioxol-5-yl-vinyl)-3-methyl-1-p...)
Show SMILES Cn1c2nc(C=Cc3ccc4OCOc4c3)[nH]c2c(=O)n(CC#C)c1=O |w:6.6|
Show InChI InChI=1S/C18H14N4O4/c1-3-8-22-17(23)15-16(21(2)18(22)24)20-14(19-15)7-5-11-4-6-12-13(9-11)26-10-25-12/h1,4-7,9H,8,10H2,2H3,(H,19,20)
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 170n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50061940
PNG
(1-Prop-2-ynyl-8-thiophen-2-yl-3,7-dihydro-purine-2...)
Show SMILES O=c1[nH]c2nc([nH]c2c(=O)n1CC#C)-c1cccs1
Show InChI InChI=1S/C12H8N4O2S/c1-2-5-16-11(17)8-10(15-12(16)18)14-9(13-8)7-4-3-6-19-7/h1,3-4,6H,5H2,(H,13,14)(H,15,18)
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 180n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CHA to adenosine A1 receptor in rat brain cortical membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50061932
PNG
(8-[(E)-2-(3-Chloro-phenyl)-vinyl]-3-methyl-1,7-di-...)
Show SMILES Cn1c2nc(\C=C\c3cccc(Cl)c3)n(CC#C)c2c(=O)n(CC#C)c1=O
Show InChI InChI=1S/C20H15ClN4O2/c1-4-11-24-16(10-9-14-7-6-8-15(21)13-14)22-18-17(24)19(26)25(12-5-2)20(27)23(18)3/h1-2,6-10,13H,11-12H2,3H3/b10-9+
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 200n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CHA to adenosine A1 receptor in rat brain cortical membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50061938
PNG
(8-[(E)-2-(3-Chloro-phenyl)-vinyl]-3-isobutyl-7-met...)
Show SMILES CC(C)Cn1c2nc(\C=C\c3cccc(Cl)c3)n(C)c2c(=O)n(CC#C)c1=O
Show InChI InChI=1S/C21H21ClN4O2/c1-5-11-25-20(27)18-19(26(21(25)28)13-14(2)3)23-17(24(18)4)10-9-15-7-6-8-16(22)12-15/h1,6-10,12,14H,11,13H2,2-4H3/b10-9+
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 240n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CHA to adenosine A1 receptor in rat brain cortical membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50061939
PNG
(8-[(E)-2-(3-Chloro-phenyl)-vinyl]-3-methyl-1-prop-...)
Show SMILES Cn1c2nc(C=Cc3cccc(Cl)c3)[nH]c2c(=O)n(CC#C)c1=O |w:6.6|
Show InChI InChI=1S/C17H13ClN4O2/c1-3-9-22-16(23)14-15(21(2)17(22)24)20-13(19-14)8-7-11-5-4-6-12(18)10-11/h1,4-8,10H,9H2,2H3,(H,19,20)
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 250n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-R-PIA to Adenosine A1 receptor in rat brain cortical membranes

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50061943
PNG
(8-((E)-2-Furan-2-yl-vinyl)-3,7-dimethyl-1-prop-2-y...)
Show SMILES Cn1c(\C=C\c2ccco2)nc2n(C)c(=O)n(CC#C)c(=O)c12
Show InChI InChI=1S/C16H14N4O3/c1-4-9-20-15(21)13-14(19(3)16(20)22)17-12(18(13)2)8-7-11-6-5-10-23-11/h1,5-8,10H,9H2,2-3H3/b8-7+
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 250n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50006710
PNG
(8-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-7-methyl-1,...)
Show SMILES CCCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C22H28N4O4/c1-6-12-25-20-19(21(27)26(13-7-2)22(25)28)24(3)18(23-20)11-9-15-8-10-16(29-4)17(14-15)30-5/h8-11,14H,6-7,12-13H2,1-5H3/b11-9+
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 260n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CHA to adenosine A1 receptor in rat brain cortical membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50061937
PNG
(1-Prop-2-ynyl-8-((E)-styryl)-3,7-dihydro-purine-2,...)
Show SMILES O=c1[nH]c2nc(C=Cc3ccccc3)[nH]c2c(=O)n1CC#C |w:7.7|
Show InChI InChI=1S/C16H12N4O2/c1-2-10-20-15(21)13-14(19-16(20)22)18-12(17-13)9-8-11-6-4-3-5-7-11/h1,3-9H,10H2,(H,17,18)(H,19,22)
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 310n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50061936
PNG
(3,7-Dimethyl-1-prop-2-ynyl-8-[(E)-2-(5H-1lambda*4*...)
Show SMILES Cn1c(\C=C\c2cccs2)nc2n(C)c(=O)n(CC#C)c(=O)c12
Show InChI InChI=1S/C16H14N4O2S/c1-4-9-20-15(21)13-14(19(3)16(20)22)17-12(18(13)2)8-7-11-6-5-10-23-11/h1,5-8,10H,9H2,2-3H3/b8-7+
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 340n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50061939
PNG
(8-[(E)-2-(3-Chloro-phenyl)-vinyl]-3-methyl-1-prop-...)
Show SMILES Cn1c2nc(C=Cc3cccc(Cl)c3)[nH]c2c(=O)n(CC#C)c1=O |w:6.6|
Show InChI InChI=1S/C17H13ClN4O2/c1-3-9-22-16(23)14-15(21(2)17(22)24)20-13(19-14)8-7-11-5-4-6-12(18)10-11/h1,4-8,10H,9H2,2H3,(H,19,20)
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 410n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-NECA to Adenosine A2A receptor in rat brain striatal membranes

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50061934
PNG
(8-[(E)-2-(3-Chloro-phenyl)-vinyl]-3,7-dimethyl-1-p...)
Show SMILES CCCn1c(=O)n(C)c2nc(\C=C\c3cccc(Cl)c3)n(C)c2c1=O
Show InChI InChI=1S/C18H19ClN4O2/c1-4-10-23-17(24)15-16(22(3)18(23)25)20-14(21(15)2)9-8-12-6-5-7-13(19)11-12/h5-9,11H,4,10H2,1-3H3/b9-8+
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 540n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CHA to adenosine A1 receptor in rat brain cortical membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50061940
PNG
(1-Prop-2-ynyl-8-thiophen-2-yl-3,7-dihydro-purine-2...)
Show SMILES O=c1[nH]c2nc([nH]c2c(=O)n1CC#C)-c1cccs1
Show InChI InChI=1S/C12H8N4O2S/c1-2-5-16-11(17)8-10(15-12(16)18)14-9(13-8)7-4-3-6-19-7/h1,3-4,6H,5H2,(H,13,14)(H,15,18)
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 560n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50061949
PNG
(3,7-Dimethyl-1-prop-2-ynyl-8-((E)-2-thiophen-3-yl-...)
Show SMILES Cn1c(\C=C\c2ccsc2)nc2n(C)c(=O)n(CC#C)c(=O)c12
Show InChI InChI=1S/C16H14N4O2S/c1-4-8-20-15(21)13-14(19(3)16(20)22)17-12(18(13)2)6-5-11-7-9-23-10-11/h1,5-7,9-10H,8H2,2-3H3/b6-5+
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 750n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CHA to adenosine A1 receptor in rat brain cortical membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50042208
PNG
(3-Methyl-1-prop-2-ynyl-3,7-dihydro-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(CC#C)c1=O
Show InChI InChI=1S/C9H8N4O2/c1-3-4-13-8(14)6-7(11-5-10-6)12(2)9(13)15/h1,5H,4H2,2H3,(H,10,11)
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 820n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-R-PIA to Adenosine A1 receptor in rat brain cortical membranes

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50061944
PNG
(8-((E)-2-Benzo[1,3]dioxol-5-yl-vinyl)-3-methyl-1-p...)
Show SMILES Cn1c2nc(C=Cc3ccc4OCOc4c3)[nH]c2c(=O)n(CC#C)c1=O |w:6.6|
Show InChI InChI=1S/C18H14N4O4/c1-3-8-22-17(23)15-16(21(2)18(22)24)20-14(19-15)7-5-11-4-6-12-13(9-11)26-10-25-12/h1,4-7,9H,8,10H2,2H3,(H,19,20)
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 840n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CHA to adenosine A1 receptor in rat brain cortical membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50061945
PNG
(3-Benzyl-1-prop-2-ynyl-3,7-dihydro-purine-2,6-dion...)
Show SMILES O=c1n(Cc2ccccc2)c2nc[nH]c2c(=O)n1CC#C
Show InChI InChI=1S/C15H12N4O2/c1-2-8-18-14(20)12-13(17-10-16-12)19(15(18)21)9-11-6-4-3-5-7-11/h1,3-7,10H,8-9H2,(H,16,17)
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 860n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CHA to adenosine A1 receptor in rat brain cortical membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50061945
PNG
(3-Benzyl-1-prop-2-ynyl-3,7-dihydro-purine-2,6-dion...)
Show SMILES O=c1n(Cc2ccccc2)c2nc[nH]c2c(=O)n1CC#C
Show InChI InChI=1S/C15H12N4O2/c1-2-8-18-14(20)12-13(17-10-16-12)19(15(18)21)9-11-6-4-3-5-7-11/h1,3-7,10H,8-9H2,(H,16,17)
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 880n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50061928
PNG
(3,7-Dimethyl-1-prop-2-ynyl-8-thiophen-2-yl-3,7-dih...)
Show SMILES Cn1c(nc2n(C)c(=O)n(CC#C)c(=O)c12)-c1cccs1
Show InChI InChI=1S/C14H12N4O2S/c1-4-7-18-13(19)10-12(17(3)14(18)20)15-11(16(10)2)9-6-5-8-21-9/h1,5-6,8H,7H2,2-3H3
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 950n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CHA to adenosine A1 receptor in rat brain cortical membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50037429
PNG
(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)
Show SMILES Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H15ClN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b8-7+
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>1.00E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CHA to adenosine A1 receptor in rat brain cortical membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50061947
PNG
(3,7-Dimethyl-1-prop-2-ynyl-8-((E)-styryl)-3,7-dihy...)
Show SMILES Cn1c(\C=C\c2ccccc2)nc2n(C)c(=O)n(CC#C)c(=O)c12
Show InChI InChI=1S/C18H16N4O2/c1-4-12-22-17(23)15-16(21(3)18(22)24)19-14(20(15)2)11-10-13-8-6-5-7-9-13/h1,5-11H,12H2,2-3H3/b11-10+
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 1.10E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CHA to adenosine A1 receptor in rat brain cortical membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50061927
PNG
(8-[(E)-2-(3-Bromo-phenyl)-vinyl]-3,7-dimethyl-1-pr...)
Show SMILES Cn1c(\C=C\c2cccc(Br)c2)nc2n(C)c(=O)n(CC#C)c(=O)c12
Show InChI InChI=1S/C18H15BrN4O2/c1-4-10-23-17(24)15-16(22(3)18(23)25)20-14(21(15)2)9-8-12-6-5-7-13(19)11-12/h1,5-9,11H,10H2,2-3H3/b9-8+
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 1.20E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CHA to adenosine A1 receptor in rat brain cortical membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50061931
PNG
(8-[(E)-2-(3-Chloro-phenyl)-vinyl]-3,7-dimethyl-1-p...)
Show SMILES Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(CC#C)c(=O)c12
Show InChI InChI=1S/C18H15ClN4O2/c1-4-10-23-17(24)15-16(22(3)18(23)25)20-14(21(15)2)9-8-12-6-5-7-13(19)11-12/h1,5-9,11H,10H2,2-3H3/b9-8+
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 1.30E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CHA to adenosine A1 receptor in rat brain cortical membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50061937
PNG
(1-Prop-2-ynyl-8-((E)-styryl)-3,7-dihydro-purine-2,...)
Show SMILES O=c1[nH]c2nc(C=Cc3ccccc3)[nH]c2c(=O)n1CC#C |w:7.7|
Show InChI InChI=1S/C16H12N4O2/c1-2-10-20-15(21)13-14(19-16(20)22)18-12(17-13)9-8-11-6-4-3-5-7-11/h1,3-9H,10H2,(H,17,18)(H,19,22)
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 1.30E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CHA to adenosine A1 receptor in rat brain cortical membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50061950
PNG
(8-((E)-2-Benzo[1,3]dioxol-5-yl-vinyl)-3,7-dimethyl...)
Show SMILES Cn1c(\C=C\c2ccc3OCOc3c2)nc2n(C)c(=O)n(CC#C)c(=O)c12
Show InChI InChI=1S/C19H16N4O4/c1-4-9-23-18(24)16-17(22(3)19(23)25)20-15(21(16)2)8-6-12-5-7-13-14(10-12)27-11-26-13/h1,5-8,10H,9,11H2,2-3H3/b8-6+
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 1.50E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CHA to adenosine A1 receptor in rat brain cortical membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50061928
PNG
(3,7-Dimethyl-1-prop-2-ynyl-8-thiophen-2-yl-3,7-dih...)
Show SMILES Cn1c(nc2n(C)c(=O)n(CC#C)c(=O)c12)-c1cccs1
Show InChI InChI=1S/C14H12N4O2S/c1-4-7-18-13(19)10-12(17(3)14(18)20)15-11(16(10)2)9-6-5-8-21-9/h1,5-6,8H,7H2,2-3H3
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 1.80E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50061937
PNG
(1-Prop-2-ynyl-8-((E)-styryl)-3,7-dihydro-purine-2,...)
Show SMILES O=c1[nH]c2nc(C=Cc3ccccc3)[nH]c2c(=O)n1CC#C |w:7.7|
Show InChI InChI=1S/C16H12N4O2/c1-2-10-20-15(21)13-14(19-16(20)22)18-12(17-13)9-8-11-6-4-3-5-7-11/h1,3-9H,10H2,(H,17,18)(H,19,22)
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 1.90E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-NECA to Adenosine A2A receptor in rat brain striatal membranes

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50061943
PNG
(8-((E)-2-Furan-2-yl-vinyl)-3,7-dimethyl-1-prop-2-y...)
Show SMILES Cn1c(\C=C\c2ccco2)nc2n(C)c(=O)n(CC#C)c(=O)c12
Show InChI InChI=1S/C16H14N4O3/c1-4-9-20-15(21)13-14(19(3)16(20)22)17-12(18(13)2)8-7-11-6-5-10-23-11/h1,5-8,10H,9H2,2-3H3/b8-7+
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 1.90E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CHA to adenosine A1 receptor in rat brain cortical membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50061937
PNG
(1-Prop-2-ynyl-8-((E)-styryl)-3,7-dihydro-purine-2,...)
Show SMILES O=c1[nH]c2nc(C=Cc3ccccc3)[nH]c2c(=O)n1CC#C |w:7.7|
Show InChI InChI=1S/C16H12N4O2/c1-2-10-20-15(21)13-14(19-16(20)22)18-12(17-13)9-8-11-6-4-3-5-7-11/h1,3-9H,10H2,(H,17,18)(H,19,22)
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 2.10E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-R-PIA to Adenosine A1 receptor in rat brain cortical membranes

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50061935
PNG
(3-Benzyl-8-[(E)-2-(3-chloro-phenyl)-vinyl]-7-methy...)
Show SMILES Cn1c(\C=C\c2cccc(Cl)c2)nc2n(Cc3ccccc3)c(=O)n(CC#C)c(=O)c12
Show InChI InChI=1S/C24H19ClN4O2/c1-3-14-28-23(30)21-22(29(24(28)31)16-18-8-5-4-6-9-18)26-20(27(21)2)13-12-17-10-7-11-19(25)15-17/h1,4-13,15H,14,16H2,2H3/b13-12+
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 2.30E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CHA to adenosine A1 receptor in rat brain cortical membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50061933
PNG
(8-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-3,7-dimethy...)
Show SMILES COc1ccc(\C=C\c2nc3n(C)c(=O)n(CC#C)c(=O)c3n2C)cc1OC
Show InChI InChI=1S/C20H20N4O4/c1-6-11-24-19(25)17-18(23(3)20(24)26)21-16(22(17)2)10-8-13-7-9-14(27-4)15(12-13)28-5/h1,7-10,12H,11H2,2-5H3/b10-8+
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 2.50E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CHA to adenosine A1 receptor in rat brain cortical membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50061931
PNG
(8-[(E)-2-(3-Chloro-phenyl)-vinyl]-3,7-dimethyl-1-p...)
Show SMILES Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(CC#C)c(=O)c12
Show InChI InChI=1S/C18H15ClN4O2/c1-4-10-23-17(24)15-16(22(3)18(23)25)20-14(21(15)2)9-8-12-6-5-7-13(19)11-12/h1,5-9,11H,10H2,2-3H3/b9-8+
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 2.50E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-R-PIA to Adenosine A1 receptor in rat brain cortical membranes

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50061947
PNG
(3,7-Dimethyl-1-prop-2-ynyl-8-((E)-styryl)-3,7-dihy...)
Show SMILES Cn1c(\C=C\c2ccccc2)nc2n(C)c(=O)n(CC#C)c(=O)c12
Show InChI InChI=1S/C18H16N4O2/c1-4-12-22-17(23)15-16(21(3)18(22)24)19-14(20(15)2)11-10-13-8-6-5-7-9-13/h1,5-11H,12H2,2-3H3/b11-10+
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 2.70E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-R-PIA to Adenosine A1 receptor in rat brain cortical membranes

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50061929
PNG
(3-Isobutyl-1-methyl-8-phenyl-7-prop-2-ynyl-3,7-dih...)
Show SMILES CC(C)Cn1c2nc(-c3ccccc3)n(CC#C)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C19H20N4O2/c1-5-11-22-15-17(20-16(22)14-9-7-6-8-10-14)23(12-13(2)3)19(25)21(4)18(15)24/h1,6-10,13H,11-12H2,2-4H3
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 2.80E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CHA to adenosine A1 receptor in rat brain cortical membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50061946
PNG
(8-Cyclohexyl-3,7-dimethyl-1-prop-2-ynyl-3,7-dihydr...)
Show SMILES Cn1c(nc2n(C)c(=O)n(CC#C)c(=O)c12)C1CCCCC1
Show InChI InChI=1S/C16H20N4O2/c1-4-10-20-15(21)12-14(19(3)16(20)22)17-13(18(12)2)11-8-6-5-7-9-11/h1,11H,5-10H2,2-3H3
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 2.80E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CHA to adenosine A1 receptor in rat brain cortical membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50042201
PNG
(3,7-Dimethyl-8-phenyl-1-prop-2-ynyl-3,7-dihydro-pu...)
Show SMILES Cn1c(nc2n(C)c(=O)n(CC#C)c(=O)c12)-c1ccccc1
Show InChI InChI=1S/C16H14N4O2/c1-4-10-20-15(21)12-14(19(3)16(20)22)17-13(18(12)2)11-8-6-5-7-9-11/h1,5-9H,10H2,2-3H3
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 3.20E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CHA to adenosine A1 receptor in rat brain cortical membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50042201
PNG
(3,7-Dimethyl-8-phenyl-1-prop-2-ynyl-3,7-dihydro-pu...)
Show SMILES Cn1c(nc2n(C)c(=O)n(CC#C)c(=O)c12)-c1ccccc1
Show InChI InChI=1S/C16H14N4O2/c1-4-10-20-15(21)12-14(19(3)16(20)22)17-13(18(12)2)11-8-6-5-7-9-11/h1,5-9H,10H2,2-3H3
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 3.30E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50061929
PNG
(3-Isobutyl-1-methyl-8-phenyl-7-prop-2-ynyl-3,7-dih...)
Show SMILES CC(C)Cn1c2nc(-c3ccccc3)n(CC#C)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C19H20N4O2/c1-5-11-22-15-17(20-16(22)14-9-7-6-8-10-14)23(12-13(2)3)19(25)21(4)18(15)24/h1,6-10,13H,11-12H2,2-4H3
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 3.50E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50041576
PNG
(1,3,7-Trimethyl-8-((E)-styryl)-3,7-dihydro-purine-...)
Show SMILES Cn1c(\C=C\c2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H16N4O2/c1-18-12(10-9-11-7-5-4-6-8-11)17-14-13(18)15(21)20(3)16(22)19(14)2/h4-10H,1-3H3/b10-9+
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 3.89E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-R-PIA to Adenosine A1 receptor in rat brain cortical membranes

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50061936
PNG
(3,7-Dimethyl-1-prop-2-ynyl-8-[(E)-2-(5H-1lambda*4*...)
Show SMILES Cn1c(\C=C\c2cccs2)nc2n(C)c(=O)n(CC#C)c(=O)c12
Show InChI InChI=1S/C16H14N4O2S/c1-4-9-20-15(21)13-14(19(3)16(20)22)17-12(18(13)2)8-7-11-6-5-10-23-11/h1,5-8,10H,9H2,2-3H3/b8-7+
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 4.10E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CHA to adenosine A1 receptor in rat brain cortical membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50061930
PNG
(3-Isobutyl-1,7-dimethyl-8-phenyl-3,7-dihydro-purin...)
Show SMILES CC(C)Cn1c2nc(-c3ccccc3)n(C)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C17H20N4O2/c1-11(2)10-21-15-13(16(22)20(4)17(21)23)19(3)14(18-15)12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3
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 4.40E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CHA to adenosine A1 receptor in rat brain cortical membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50061946
PNG
(8-Cyclohexyl-3,7-dimethyl-1-prop-2-ynyl-3,7-dihydr...)
Show SMILES Cn1c(nc2n(C)c(=O)n(CC#C)c(=O)c12)C1CCCCC1
Show InChI InChI=1S/C16H20N4O2/c1-4-10-20-15(21)12-14(19(3)16(20)22)17-13(18(12)2)11-8-6-5-7-9-11/h1,11H,5-10H2,2-3H3
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 4.50E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50042208
PNG
(3-Methyl-1-prop-2-ynyl-3,7-dihydro-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(CC#C)c1=O
Show InChI InChI=1S/C9H8N4O2/c1-3-4-13-8(14)6-7(11-5-10-6)12(2)9(13)15/h1,5H,4H2,2H3,(H,10,11)
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 4.80E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-NECA to Adenosine A2A receptor in rat brain striatal membranes

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50061940
PNG
(1-Prop-2-ynyl-8-thiophen-2-yl-3,7-dihydro-purine-2...)
Show SMILES O=c1[nH]c2nc([nH]c2c(=O)n1CC#C)-c1cccs1
Show InChI InChI=1S/C12H8N4O2S/c1-2-5-16-11(17)8-10(15-12(16)18)14-9(13-8)7-4-3-6-19-7/h1,3-4,6H,5H2,(H,13,14)(H,15,18)
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 5.10E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-NECA to Adenosine A2A receptor in rat brain striatal membranes

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50042201
PNG
(3,7-Dimethyl-8-phenyl-1-prop-2-ynyl-3,7-dihydro-pu...)
Show SMILES Cn1c(nc2n(C)c(=O)n(CC#C)c(=O)c12)-c1ccccc1
Show InChI InChI=1S/C16H14N4O2/c1-4-10-20-15(21)12-14(19(3)16(20)22)17-13(18(12)2)11-8-6-5-7-9-11/h1,5-9H,10H2,2-3H3
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 6.10E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-R-PIA to Adenosine A1 receptor in rat brain cortical membranes

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50042201
PNG
(3,7-Dimethyl-8-phenyl-1-prop-2-ynyl-3,7-dihydro-pu...)
Show SMILES Cn1c(nc2n(C)c(=O)n(CC#C)c(=O)c12)-c1ccccc1
Show InChI InChI=1S/C16H14N4O2/c1-4-10-20-15(21)12-14(19(3)16(20)22)17-13(18(12)2)11-8-6-5-7-9-11/h1,5-9H,10H2,2-3H3
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 6.40E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-NECA to Adenosine A2A receptor in rat brain striatal membranes

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50008386
PNG
(3,7-Dimethyl-1-prop-2-ynyl-3,7-dihydro-purine-2,6-...)
Show SMILES Cn1cnc2n(C)c(=O)n(CC#C)c(=O)c12
Show InChI InChI=1S/C10H10N4O2/c1-4-5-14-9(15)7-8(11-6-12(7)2)13(3)10(14)16/h1,6H,5H2,2-3H3
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 8.60E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50061941
PNG
(1-Allyl-3,7-dimethyl-8-((E)-styryl)-3,7-dihydro-pu...)
Show SMILES Cn1c(\C=C\c2ccccc2)nc2n(C)c(=O)n(CC=C)c(=O)c12
Show InChI InChI=1S/C18H18N4O2/c1-4-12-22-17(23)15-16(21(3)18(22)24)19-14(20(15)2)11-10-13-8-6-5-7-9-13/h4-11H,1,12H2,2-3H3/b11-10+
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 9.20E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CHA to adenosine A1 receptor in rat brain cortical membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50008416
PNG
(8-Cyclohexyl-1,3,7-trimethyl-3,7-dihydro-purine-2,...)
Show SMILES Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)C1CCCCC1
Show InChI InChI=1S/C14H20N4O2/c1-16-10-12(17(2)14(20)18(3)13(10)19)15-11(16)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3
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 9.30E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-NECA to Adenosine A2A receptor in rat brain striatal membranes

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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 9.40E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047166
PNG
(8-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-1,3,7-trime...)
Show SMILES COc1ccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc1OC
Show InChI InChI=1S/C18H20N4O4/c1-20-14(9-7-11-6-8-12(25-4)13(10-11)26-5)19-16-15(20)17(23)22(3)18(24)21(16)2/h6-10H,1-5H3/b9-7+
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 9.60E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CHA to adenosine A1 receptor in rat brain cortical membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50008386
PNG
(3,7-Dimethyl-1-prop-2-ynyl-3,7-dihydro-purine-2,6-...)
Show SMILES Cn1cnc2n(C)c(=O)n(CC#C)c(=O)c12
Show InChI InChI=1S/C10H10N4O2/c1-4-5-14-9(15)7-8(11-6-12(7)2)13(3)10(14)16/h1,6H,5H2,2-3H3
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 1.20E+4n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CHA to adenosine A1 receptor in rat brain cortical membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50047166
PNG
(8-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-1,3,7-trime...)
Show SMILES COc1ccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc1OC
Show InChI InChI=1S/C18H20N4O4/c1-20-14(9-7-11-6-8-12(25-4)13(10-11)26-5)19-16-15(20)17(23)22(3)18(24)21(16)2/h6-10H,1-5H3/b9-7+
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 1.38E+4n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-R-PIA to Adenosine A1 receptor in rat brain cortical membranes

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50061930
PNG
(3-Isobutyl-1,7-dimethyl-8-phenyl-3,7-dihydro-purin...)
Show SMILES CC(C)Cn1c2nc(-c3ccccc3)n(C)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C17H20N4O2/c1-11(2)10-21-15-13(16(22)20(4)17(21)23)19(3)14(18-15)12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3
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 1.40E+4n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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 1.40E+4n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-R-PIA to Adenosine A1 receptor in rat brain cortical membranes

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50018171
PNG
(1,3,7-Trimethyl-8-phenyl-3,7-dihydro-purine-2,6-di...)
Show SMILES Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)-c1ccccc1
Show InChI InChI=1S/C14H14N4O2/c1-16-10-12(17(2)14(20)18(3)13(10)19)15-11(16)9-7-5-4-6-8-9/h4-8H,1-3H3
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 1.50E+4n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-R-PIA to Adenosine A1 receptor in rat brain cortical membranes

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM10849
PNG
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
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 1.60E+4n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-NECA to Adenosine A2A receptor in rat brain striatal membranes

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50008386
PNG
(3,7-Dimethyl-1-prop-2-ynyl-3,7-dihydro-purine-2,6-...)
Show SMILES Cn1cnc2n(C)c(=O)n(CC#C)c(=O)c12
Show InChI InChI=1S/C10H10N4O2/c1-4-5-14-9(15)7-8(11-6-12(7)2)13(3)10(14)16/h1,6H,5H2,2-3H3
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 1.60E+4n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-NECA to Adenosine A2A receptor in rat brain striatal membranes

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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 1.70E+4n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CHA to adenosine A1 receptor in rat brain cortical membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50018171
PNG
(1,3,7-Trimethyl-8-phenyl-3,7-dihydro-purine-2,6-di...)
Show SMILES Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)-c1ccccc1
Show InChI InChI=1S/C14H14N4O2/c1-16-10-12(17(2)14(20)18(3)13(10)19)15-11(16)9-7-5-4-6-8-9/h4-8H,1-3H3
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 1.90E+4n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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 1.90E+4n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-NECA to Adenosine A2A receptor in rat brain striatal membranes

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM10849
PNG
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
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 2.20E+4n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50018171
PNG
(1,3,7-Trimethyl-8-phenyl-3,7-dihydro-purine-2,6-di...)
Show SMILES Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)-c1ccccc1
Show InChI InChI=1S/C14H14N4O2/c1-16-10-12(17(2)14(20)18(3)13(10)19)15-11(16)9-7-5-4-6-8-9/h4-8H,1-3H3
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 2.50E+4n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-NECA to Adenosine A2A receptor in rat brain striatal membranes

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM10849
PNG
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
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 2.60E+4n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CHA to adenosine A1 receptor in rat brain cortical membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50008416
PNG
(8-Cyclohexyl-1,3,7-trimethyl-3,7-dihydro-purine-2,...)
Show SMILES Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)C1CCCCC1
Show InChI InChI=1S/C14H20N4O2/c1-16-10-12(17(2)14(20)18(3)13(10)19)15-11(16)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3
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 2.80E+4n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-R-PIA to Adenosine A1 receptor in rat brain cortical membranes

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50037429
PNG
(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)
Show SMILES Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H15ClN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b8-7+
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 2.80E+4n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-R-PIA to Adenosine A1 receptor in rat brain cortical membranes

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50018171
PNG
(1,3,7-Trimethyl-8-phenyl-3,7-dihydro-purine-2,6-di...)
Show SMILES Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)-c1ccccc1
Show InChI InChI=1S/C14H14N4O2/c1-16-10-12(17(2)14(20)18(3)13(10)19)15-11(16)9-7-5-4-6-8-9/h4-8H,1-3H3
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 3.30E+4n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CHA to adenosine A1 receptor in rat brain cortical membranes.

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM10849
PNG
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
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 4.10E+4n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-R-PIA to Adenosine A1 receptor in rat brain cortical membranes

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50008386
PNG
(3,7-Dimethyl-1-prop-2-ynyl-3,7-dihydro-purine-2,6-...)
Show SMILES Cn1cnc2n(C)c(=O)n(CC#C)c(=O)c12
Show InChI InChI=1S/C10H10N4O2/c1-4-5-14-9(15)7-8(11-6-12(7)2)13(3)10(14)16/h1,6H,5H2,2-3H3
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 4.50E+4n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-R-PIA to Adenosine A1 receptor in rat brain cortical membranes

J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%