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Compile Data Set for Download or QSAR

Found 117 hits with Last Name = 'van der wenden' and Initial = 'em'   
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 A1


(Rattus norvegicus (rat))
BDBM50020969
PNG
(1,3-Dimethyl-8-p-tolyl-3,7-dihydro-purine-2,6-dion...)
Show SMILES Cc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C14H14N4O2/c1-8-4-6-9(7-5-8)11-15-10-12(16-11)17(2)14(20)18(3)13(10)19/h4-7H,1-3H3,(H,15,16)
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0.510n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor


J Med Chem 35: 629-35 (1992)

Checked by Author
Article DOI: 10.1021/jm00082a003
BindingDB Entry DOI: 10.7270/Q23R0V5Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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0.620n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor


J Med Chem 35: 629-35 (1992)

Checked by Author
Article DOI: 10.1021/jm00082a003
BindingDB Entry DOI: 10.7270/Q23R0V5Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50020965
PNG
(8-(4-Methoxy-phenyl)-1,3-dimethyl-3,7-dihydro-puri...)
Show SMILES COc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C14H14N4O3/c1-17-12-10(13(19)18(2)14(17)20)15-11(16-12)8-4-6-9(21-3)7-5-8/h4-7H,1-3H3,(H,15,16)
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0.630n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor


J Med Chem 35: 629-35 (1992)

Checked by Author
Article DOI: 10.1021/jm00082a003
BindingDB Entry DOI: 10.7270/Q23R0V5Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50020988
PNG
(8-(4-Chloro-phenyl)-1,3-dimethyl-3,7-dihydro-purin...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C13H11ClN4O2/c1-17-11-9(12(19)18(2)13(17)20)15-10(16-11)7-3-5-8(14)6-4-7/h3-6H,1-2H3,(H,15,16)
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0.650n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor


J Med Chem 35: 629-35 (1992)

Checked by Author
Article DOI: 10.1021/jm00082a003
BindingDB Entry DOI: 10.7270/Q23R0V5Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50021011
PNG
(8-(4-Fluoro-phenyl)-1,3-dimethyl-3,7-dihydro-purin...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C13H11FN4O2/c1-17-11-9(12(19)18(2)13(17)20)15-10(16-11)7-3-5-8(14)6-4-7/h3-6H,1-2H3,(H,15,16)
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1.80n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor


J Med Chem 35: 629-35 (1992)

Checked by Author
Article DOI: 10.1021/jm00082a003
BindingDB Entry DOI: 10.7270/Q23R0V5Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50007838
PNG
(8-Cyclohexyl-1,3-dipropyl-3,7-dihydro-purine-2,6-d...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCCC1
Show InChI InChI=1S/C17H26N4O2/c1-3-10-20-15-13(16(22)21(11-4-2)17(20)23)18-14(19-15)12-8-6-5-7-9-12/h12H,3-11H2,1-2H3,(H,18,19)
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2n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor


J Med Chem 35: 629-35 (1992)

Checked by Author
Article DOI: 10.1021/jm00082a003
BindingDB Entry DOI: 10.7270/Q23R0V5Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50020984
PNG
(8-(3-Fluoro-phenyl)-1,3-dimethyl-3,7-dihydro-purin...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(F)c1
Show InChI InChI=1S/C13H11FN4O2/c1-17-11-9(12(19)18(2)13(17)20)15-10(16-11)7-4-3-5-8(14)6-7/h3-6H,1-2H3,(H,15,16)
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2.40n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor


J Med Chem 35: 629-35 (1992)

Checked by Author
Article DOI: 10.1021/jm00082a003
BindingDB Entry DOI: 10.7270/Q23R0V5Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50021006
PNG
(1,3-Dimethyl-8-o-tolyl-3,7-dihydro-purine-2,6-dion...)
Show SMILES Cc1ccccc1-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C14H14N4O2/c1-8-6-4-5-7-9(8)11-15-10-12(16-11)17(2)14(20)18(3)13(10)19/h4-7H,1-3H3,(H,15,16)
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3.60n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor


J Med Chem 35: 629-35 (1992)

Checked by Author
Article DOI: 10.1021/jm00082a003
BindingDB Entry DOI: 10.7270/Q23R0V5Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50021455
PNG
(8-(4-Methoxy-phenyl)-1,3-dipropyl-3,7-dihydro-puri...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OC)cc1
Show InChI InChI=1S/C18H22N4O3/c1-4-10-21-16-14(17(23)22(11-5-2)18(21)24)19-15(20-16)12-6-8-13(25-3)9-7-12/h6-9H,4-5,10-11H2,1-3H3,(H,19,20)
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4.60n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor


J Med Chem 35: 629-35 (1992)

Checked by Author
Article DOI: 10.1021/jm00082a003
BindingDB Entry DOI: 10.7270/Q23R0V5Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50021009
PNG
(1,3-Dimethyl-8-m-tolyl-3,7-dihydro-purine-2,6-dion...)
Show SMILES Cc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C14H14N4O2/c1-8-5-4-6-9(7-8)11-15-10-12(16-11)17(2)14(20)18(3)13(10)19/h4-7H,1-3H3,(H,15,16)
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5.40n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor


J Med Chem 35: 629-35 (1992)

Checked by Author
Article DOI: 10.1021/jm00082a003
BindingDB Entry DOI: 10.7270/Q23R0V5Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM25400
PNG
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
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5.90n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using [3H]DPCPX in rat cortical membranes in the absence of GTP


J Med Chem 41: 102-8 (1998)


Article DOI: 10.1021/jm970508l
BindingDB Entry DOI: 10.7270/Q2MK6DKX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM25400
PNG
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
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5.90n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using [3H]DPCPX in rat cortical membranes in the absence of GTP


J Med Chem 41: 102-8 (1998)


Article DOI: 10.1021/jm970508l
BindingDB Entry DOI: 10.7270/Q2MK6DKX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50020982
PNG
(8-(2-Fluoro-phenyl)-1,3-dimethyl-3,7-dihydro-purin...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1F
Show InChI InChI=1S/C13H11FN4O2/c1-17-11-9(12(19)18(2)13(17)20)15-10(16-11)7-5-3-4-6-8(7)14/h3-6H,1-2H3,(H,15,16)
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6.80n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor


J Med Chem 35: 629-35 (1992)

Checked by Author
Article DOI: 10.1021/jm00082a003
BindingDB Entry DOI: 10.7270/Q23R0V5Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50020970
PNG
(8-(3-Methoxy-phenyl)-1,3-dimethyl-3,7-dihydro-puri...)
Show SMILES COc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C14H14N4O3/c1-17-12-10(13(19)18(2)14(17)20)15-11(16-12)8-5-4-6-9(7-8)21-3/h4-7H,1-3H3,(H,15,16)
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8.70n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor


J Med Chem 35: 629-35 (1992)

Checked by Author
Article DOI: 10.1021/jm00082a003
BindingDB Entry DOI: 10.7270/Q23R0V5Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50267393
PNG
(CHEMBL477444 | N6-Cyclopentyl-9H-(5-chloro-5-deoxy...)
Show SMILES O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H20ClN5O3/c16-5-9-11(22)12(23)15(24-9)21-7-19-10-13(17-6-18-14(10)21)20-8-3-1-2-4-8/h6-9,11-12,15,22-23H,1-5H2,(H,17,18,20)/t9-,11-,12-,15-/m1/s1
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9.5n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using [3H]DPCPX in rat cortical membranes in the absence of GTP


J Med Chem 41: 102-8 (1998)


Article DOI: 10.1021/jm970508l
BindingDB Entry DOI: 10.7270/Q2MK6DKX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50118810
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-1-phenyl...)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)/t11-,13-,15-,16-,19-/m1/s1
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11n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Affinity for the Adenosine A1 receptor in the absence of GTP (A1-GTP) by using [3H]DPCPX as radioligand


J Med Chem 38: 4000-6 (1995)


Article DOI: 10.1021/jm00020a014
BindingDB Entry DOI: 10.7270/Q2W37WZP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM82025
PNG
(1,3-Dipropyl-8-phenylxanthine | 8-Phenyl-1,3-dipro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccccc1
Show InChI InChI=1S/C17H20N4O2/c1-3-10-20-15-13(16(22)21(11-4-2)17(20)23)18-14(19-15)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,18,19)
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11n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor


J Med Chem 35: 629-35 (1992)

Checked by Author
Article DOI: 10.1021/jm00082a003
BindingDB Entry DOI: 10.7270/Q23R0V5Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM25400
PNG
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
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35n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using [3H]DPCPX in rat cortical membranes in the presence of GTP.


J Med Chem 41: 102-8 (1998)


Article DOI: 10.1021/jm970508l
BindingDB Entry DOI: 10.7270/Q2MK6DKX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM25400
PNG
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
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35n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Affinity for the Adenosine A1 receptor in the presence of GTP (A1+GTP) by using [3H]-DPCPX as radioligand


J Med Chem 38: 4000-6 (1995)


Article DOI: 10.1021/jm00020a014
BindingDB Entry DOI: 10.7270/Q2W37WZP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM25400
PNG
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
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35n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Affinity for the Adenosine A1 receptor in the presence of GTP (A1+GTP) by using [3H]-DPCPX as radioligand


J Med Chem 38: 4000-6 (1995)


Article DOI: 10.1021/jm00020a014
BindingDB Entry DOI: 10.7270/Q2W37WZP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50004568
PNG
(8-Cyclohexylmethyl-1,3-dipropyl-3,7-dihydro-purine...)
Show SMILES CCCn1c2nc(CC3CCCCC3)[nH]c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C18H28N4O2/c1-3-10-21-16-15(17(23)22(11-4-2)18(21)24)19-14(20-16)12-13-8-6-5-7-9-13/h13H,3-12H2,1-2H3,(H,19,20)
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39n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor


J Med Chem 35: 629-35 (1992)

Checked by Author
Article DOI: 10.1021/jm00082a003
BindingDB Entry DOI: 10.7270/Q23R0V5Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50454901
PNG
(CHEMBL2113469)
Show SMILES CC(C)CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C19H29N5O3S/c1-11(2)7-28-8-13-15(25)16(26)19(27-13)24-10-22-14-17(20-9-21-18(14)24)23-12-5-3-4-6-12/h9-13,15-16,19,25-26H,3-8H2,1-2H3,(H,20,21,23)/t13-,15-,16-,19-/m1/s1
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41n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using [3H]DPCPX in rat cortical membranes in the absence of GTP


J Med Chem 41: 102-8 (1998)


Article DOI: 10.1021/jm970508l
BindingDB Entry DOI: 10.7270/Q2MK6DKX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50007848
PNG
(8-Cyclopropyl-1,3-dipropyl-3,7-dihydro-purine-2,6-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC1
Show InChI InChI=1S/C14H20N4O2/c1-3-7-17-12-10(15-11(16-12)9-5-6-9)13(19)18(8-4-2)14(17)20/h9H,3-8H2,1-2H3,(H,15,16)
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42n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor


J Med Chem 35: 629-35 (1992)

Checked by Author
Article DOI: 10.1021/jm00082a003
BindingDB Entry DOI: 10.7270/Q23R0V5Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50375533
PNG
(CHEMBL263643)
Show SMILES CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C17H25N5O3S/c1-2-26-7-11-13(23)14(24)17(25-11)22-9-20-12-15(18-8-19-16(12)22)21-10-5-3-4-6-10/h8-11,13-14,17,23-24H,2-7H2,1H3,(H,18,19,21)/t11-,13-,14-,17-/m1/s1
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45n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using [3H]DPCPX in rat cortical membranes in the absence of GTP


J Med Chem 41: 102-8 (1998)


Article DOI: 10.1021/jm970508l
BindingDB Entry DOI: 10.7270/Q2MK6DKX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM81786
PNG
(5'-Methylthio Adenosine | 5'-Methylthioado)
Show SMILES CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C16H23N5O3S/c1-25-6-10-12(22)13(23)16(24-10)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-3-5-9/h7-10,12-13,16,22-23H,2-6H2,1H3,(H,17,18,20)/t10-,12-,13-,16-/m1/s1
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59n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using [3H]DPCPX in rat cortical membranes in the absence of GTP


J Med Chem 41: 102-8 (1998)


Article DOI: 10.1021/jm970508l
BindingDB Entry DOI: 10.7270/Q2MK6DKX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50000412
PNG
(CHEMBL157073)
Show SMILES CCCc1ccccc1-c1nc2c([nH]1)n(CCC)c(=O)n(CCC)c2=O
Show InChI InChI=1S/C20H26N4O2/c1-4-9-14-10-7-8-11-15(14)17-21-16-18(22-17)23(12-5-2)20(26)24(13-6-3)19(16)25/h7-8,10-11H,4-6,9,12-13H2,1-3H3,(H,21,22)
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60n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor


J Med Chem 35: 629-35 (1992)

Checked by Author
Article DOI: 10.1021/jm00082a003
BindingDB Entry DOI: 10.7270/Q23R0V5Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50000412
PNG
(CHEMBL157073)
Show SMILES CCCc1ccccc1-c1nc2c([nH]1)n(CCC)c(=O)n(CCC)c2=O
Show InChI InChI=1S/C20H26N4O2/c1-4-9-14-10-7-8-11-15(14)17-21-16-18(22-17)23(12-5-2)20(26)24(13-6-3)19(16)25/h7-8,10-11H,4-6,9,12-13H2,1-3H3,(H,21,22)
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60n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor


J Med Chem 35: 629-35 (1992)

Checked by Author
Article DOI: 10.1021/jm00082a003
BindingDB Entry DOI: 10.7270/Q23R0V5Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50267393
PNG
(CHEMBL477444 | N6-Cyclopentyl-9H-(5-chloro-5-deoxy...)
Show SMILES O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H20ClN5O3/c16-5-9-11(22)12(23)15(24-9)21-7-19-10-13(17-6-18-14(10)21)20-8-3-1-2-4-8/h6-9,11-12,15,22-23H,1-5H2,(H,17,18,20)/t9-,11-,12-,15-/m1/s1
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62n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using [3H]DPCPX in rat cortical membranes in the presence of GTP.


J Med Chem 41: 102-8 (1998)


Article DOI: 10.1021/jm970508l
BindingDB Entry DOI: 10.7270/Q2MK6DKX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50118810
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-1-phenyl...)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)/t11-,13-,15-,16-,19-/m1/s1
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62n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Affinity for the Adenosine A1 receptor in the presence of GTP (A1+GTP) by using [3H]-DPCPX as radioligand


J Med Chem 38: 4000-6 (1995)


Article DOI: 10.1021/jm00020a014
BindingDB Entry DOI: 10.7270/Q2W37WZP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50138545
PNG
((3R,4S,5R)-2-(6-Cyclopentylamino-purin-9-yl)-5-met...)
Show SMILES C[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O3/c1-8-11(21)12(22)15(23-8)20-7-18-10-13(16-6-17-14(10)20)19-9-4-2-3-5-9/h6-9,11-12,15,21-22H,2-5H2,1H3,(H,16,17,19)/t8-,11-,12-,15?/m1/s1
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70n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Affinity for the Adenosine A1 receptor in the absence of GTP (A1-GTP) by using [3H]DPCPX as radioligand


J Med Chem 38: 4000-6 (1995)


Article DOI: 10.1021/jm00020a014
BindingDB Entry DOI: 10.7270/Q2W37WZP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50454904
PNG
(CHEMBL2113467)
Show SMILES CCCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C18H27N5O3S/c1-2-7-27-8-12-14(24)15(25)18(26-12)23-10-21-13-16(19-9-20-17(13)23)22-11-5-3-4-6-11/h9-12,14-15,18,24-25H,2-8H2,1H3,(H,19,20,22)/t12-,14-,15-,18-/m1/s1
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76n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using [3H]DPCPX in rat cortical membranes in the absence of GTP


J Med Chem 41: 102-8 (1998)


Article DOI: 10.1021/jm970508l
BindingDB Entry DOI: 10.7270/Q2MK6DKX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50454903
PNG
(CHEMBL2113471)
Show SMILES C[Se]C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C16H23N5O3Se/c1-25-6-10-12(22)13(23)16(24-10)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-3-5-9/h7-10,12-13,16,22-23H,2-6H2,1H3,(H,17,18,20)/t10-,12-,13-,16-/m1/s1
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76n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using [3H]DPCPX in rat cortical membranes in the absence of GTP


J Med Chem 41: 102-8 (1998)


Article DOI: 10.1021/jm970508l
BindingDB Entry DOI: 10.7270/Q2MK6DKX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453913
PNG
(CHEMBL2112619)
Show SMILES OC[C@@H]1C[C@@H](O)[C@@H](O1)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O3/c21-6-10-5-11(22)15(23-10)20-8-18-12-13(16-7-17-14(12)20)19-9-3-1-2-4-9/h7-11,15,21-22H,1-6H2,(H,16,17,19)/t10-,11+,15+/m0/s1
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110n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Affinity for the Adenosine A1 receptor in the absence of GTP (A1-GTP) by using [3H]DPCPX as radioligand


J Med Chem 38: 4000-6 (1995)


Article DOI: 10.1021/jm00020a014
BindingDB Entry DOI: 10.7270/Q2W37WZP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50375533
PNG
(CHEMBL263643)
Show SMILES CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C17H25N5O3S/c1-2-26-7-11-13(23)14(24)17(25-11)22-9-20-12-15(18-8-19-16(12)22)21-10-5-3-4-6-10/h8-11,13-14,17,23-24H,2-7H2,1H3,(H,18,19,21)/t11-,13-,14-,17-/m1/s1
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130n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using [3H]DPCPX in rat cortical membranes in the presence of GTP.


J Med Chem 41: 102-8 (1998)


Article DOI: 10.1021/jm970508l
BindingDB Entry DOI: 10.7270/Q2MK6DKX
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50118810
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-1-phenyl...)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)/t11-,13-,15-,16-,19-/m1/s1
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140n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2A receptor by using [3H]CGS-21680 as radioligand


J Med Chem 38: 4000-6 (1995)


Article DOI: 10.1021/jm00020a014
BindingDB Entry DOI: 10.7270/Q2W37WZP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50454901
PNG
(CHEMBL2113469)
Show SMILES CC(C)CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C19H29N5O3S/c1-11(2)7-28-8-13-15(25)16(26)19(27-13)24-10-22-14-17(20-9-21-18(14)24)23-12-5-3-4-6-12/h9-13,15-16,19,25-26H,3-8H2,1-2H3,(H,20,21,23)/t13-,15-,16-,19-/m1/s1
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149n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using [3H]DPCPX in rat cortical membranes in the presence of GTP.


J Med Chem 41: 102-8 (1998)


Article DOI: 10.1021/jm970508l
BindingDB Entry DOI: 10.7270/Q2MK6DKX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50454903
PNG
(CHEMBL2113471)
Show SMILES C[Se]C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C16H23N5O3Se/c1-25-6-10-12(22)13(23)16(24-10)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-3-5-9/h7-10,12-13,16,22-23H,2-6H2,1H3,(H,17,18,20)/t10-,12-,13-,16-/m1/s1
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166n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using [3H]DPCPX in rat cortical membranes in the presence of GTP.


J Med Chem 41: 102-8 (1998)


Article DOI: 10.1021/jm970508l
BindingDB Entry DOI: 10.7270/Q2MK6DKX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50021003
PNG
(8-(2-Methoxy-phenyl)-1,3-dimethyl-3,7-dihydro-puri...)
Show SMILES COc1ccccc1-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C14H14N4O3/c1-17-12-10(13(19)18(2)14(17)20)15-11(16-12)8-6-4-5-7-9(8)21-3/h4-7H,1-3H3,(H,15,16)
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191n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor


J Med Chem 35: 629-35 (1992)

Checked by Author
Article DOI: 10.1021/jm00082a003
BindingDB Entry DOI: 10.7270/Q23R0V5Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM81786
PNG
(5'-Methylthio Adenosine | 5'-Methylthioado)
Show SMILES CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C16H23N5O3S/c1-25-6-10-12(22)13(23)16(24-10)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-3-5-9/h7-10,12-13,16,22-23H,2-6H2,1H3,(H,17,18,20)/t10-,12-,13-,16-/m1/s1
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199n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using [3H]DPCPX in rat cortical membranes in the presence of GTP.


J Med Chem 41: 102-8 (1998)


Article DOI: 10.1021/jm970508l
BindingDB Entry DOI: 10.7270/Q2MK6DKX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50454904
PNG
(CHEMBL2113467)
Show SMILES CCCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C18H27N5O3S/c1-2-7-27-8-12-14(24)15(25)18(26-12)23-10-21-13-16(19-9-20-17(13)23)22-11-5-3-4-6-11/h9-12,14-15,18,24-25H,2-8H2,1H3,(H,19,20,22)/t12-,14-,15-,18-/m1/s1
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222n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using [3H]DPCPX in rat cortical membranes in the presence of GTP.


J Med Chem 41: 102-8 (1998)


Article DOI: 10.1021/jm970508l
BindingDB Entry DOI: 10.7270/Q2MK6DKX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50367311
PNG
(CHEMBL607763)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1O[C@H](C)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H23N5O3/c1-11(8-13-6-4-3-5-7-13)23-17-14-18(21-9-20-17)24(10-22-14)19-16(26)15(25)12(2)27-19/h3-7,9-12,15-16,19,25-26H,8H2,1-2H3,(H,20,21,23)/t11-,12-,15-,16-,19?/m1/s1
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300n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Affinity for the Adenosine A1 receptor in the absence of GTP (A1-GTP) by using [3H]DPCPX as radioligand


J Med Chem 38: 4000-6 (1995)


Article DOI: 10.1021/jm00020a014
BindingDB Entry DOI: 10.7270/Q2W37WZP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453916
PNG
(CHEMBL2112665)
Show SMILES OC[C@@H]1C[C@@H](O)[C@@H](O1)n1cnc2c(NC3CCCCC3)ncnc12
Show InChI InChI=1S/C16H23N5O3/c22-7-11-6-12(23)16(24-11)21-9-19-13-14(17-8-18-15(13)21)20-10-4-2-1-3-5-10/h8-12,16,22-23H,1-7H2,(H,17,18,20)/t11-,12+,16+/m0/s1
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310n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Affinity for the Adenosine A1 receptor in the absence of GTP (A1-GTP) by using [3H]DPCPX as radioligand


J Med Chem 38: 4000-6 (1995)


Article DOI: 10.1021/jm00020a014
BindingDB Entry DOI: 10.7270/Q2W37WZP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50452270
PNG
(CHEMBL2112569)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)C[C@H]1O
Show InChI InChI=1S/C19H23N5O3/c1-12(7-13-5-3-2-4-6-13)23-17-16-18(21-10-20-17)24(11-22-16)19-15(26)8-14(9-25)27-19/h2-6,10-12,14-15,19,25-26H,7-9H2,1H3,(H,20,21,23)/t12-,14+,15-,19-/m1/s1
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350n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Affinity for the Adenosine A1 receptor in the absence of GTP (A1-GTP) by using [3H]DPCPX as radioligand


J Med Chem 38: 4000-6 (1995)


Article DOI: 10.1021/jm00020a014
BindingDB Entry DOI: 10.7270/Q2W37WZP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50454900
PNG
(CHEMBL2113470)
Show SMILES CNC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C16H24N6O3/c1-17-6-10-12(23)13(24)16(25-10)22-8-20-11-14(18-7-19-15(11)22)21-9-4-2-3-5-9/h7-10,12-13,16-17,23-24H,2-6H2,1H3,(H,18,19,21)/t10-,12-,13-,16-/m1/s1
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440n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using [3H]DPCPX in rat cortical membranes in the absence of GTP


J Med Chem 41: 102-8 (1998)


Article DOI: 10.1021/jm970508l
BindingDB Entry DOI: 10.7270/Q2MK6DKX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50138545
PNG
((3R,4S,5R)-2-(6-Cyclopentylamino-purin-9-yl)-5-met...)
Show SMILES C[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O3/c1-8-11(21)12(22)15(23-8)20-7-18-10-13(16-6-17-14(10)20)19-9-4-2-3-5-9/h6-9,11-12,15,21-22H,2-5H2,1H3,(H,16,17,19)/t8-,11-,12-,15?/m1/s1
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450n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Affinity for the Adenosine A1 receptor in the presence of GTP (A1+GTP) by using [3H]-DPCPX as radioligand


J Med Chem 38: 4000-6 (1995)


Article DOI: 10.1021/jm00020a014
BindingDB Entry DOI: 10.7270/Q2W37WZP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453913
PNG
(CHEMBL2112619)
Show SMILES OC[C@@H]1C[C@@H](O)[C@@H](O1)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O3/c21-6-10-5-11(22)15(23-10)20-8-18-12-13(16-7-17-14(12)20)19-9-3-1-2-4-9/h7-11,15,21-22H,1-6H2,(H,16,17,19)/t10-,11+,15+/m0/s1
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470n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Affinity for the Adenosine A1 receptor in the presence of GTP (A1+GTP) by using [3H]-DPCPX as radioligand


J Med Chem 38: 4000-6 (1995)


Article DOI: 10.1021/jm00020a014
BindingDB Entry DOI: 10.7270/Q2W37WZP
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM25400
PNG
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
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580n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2A receptor using [3H]-CGS- 21680 as the radioligand in rat striatal membranes


J Med Chem 41: 102-8 (1998)


Article DOI: 10.1021/jm970508l
BindingDB Entry DOI: 10.7270/Q2MK6DKX
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM25400
PNG
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
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580n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2A receptor using [3H]-CGS- 21680 as the radioligand in rat striatal membranes


J Med Chem 41: 102-8 (1998)


Article DOI: 10.1021/jm970508l
BindingDB Entry DOI: 10.7270/Q2MK6DKX
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM25400
PNG
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
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580n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2A receptor by using [3H]CGS-21680 as radioligand


J Med Chem 38: 4000-6 (1995)


Article DOI: 10.1021/jm00020a014
BindingDB Entry DOI: 10.7270/Q2W37WZP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50000415
PNG
(CHEMBL156622)
Show SMILES CCCn1c2[nH]c(Cc3ccccc3)nc2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C18H22N4O2/c1-3-10-21-16-15(17(23)22(11-4-2)18(21)24)19-14(20-16)12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3,(H,19,20)
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891n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor


J Med Chem 35: 629-35 (1992)

Checked by Author
Article DOI: 10.1021/jm00082a003
BindingDB Entry DOI: 10.7270/Q23R0V5Q
More data for this
Ligand-Target Pair
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