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PubMed code 7752196

Compile data set for download or QSAR
Found 103 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50453675
PNG
(CHEMBL2113400)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)c3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C18H16ClIN6O5/c1-21-16(30)12-10(27)11(28)17(31-12)26-6-22-9-13(24-18(19)25-14(9)26)23-15(29)7-3-2-4-8(20)5-7/h2-6,10-12,17,27-28H,1H3,(H,21,30)(H,23,24,25,29)/t10-,11+,12-,17+/m0/s1
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0.330n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A3 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50118812
PNG
((2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylami...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1
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1.10n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A3 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50453671
PNG
(CHEMBL2113701)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@@H]2OC(=S)O[C@H]12)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C19H16ClIN6O4S/c1-22-16(28)12-11-13(31-19(32)30-11)17(29-12)27-7-24-10-14(25-18(20)26-15(10)27)23-6-8-3-2-4-9(21)5-8/h2-5,7,11-13,17H,6H2,1H3,(H,22,28)(H,23,25,26)/t11-,12+,13-,17-/m1/s1
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12n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A3 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50453674
PNG
(CHEMBL2113703)
Show SMILES CNC(=O)[C@@H]1C[C@@H](O)[C@@H](O1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C18H18ClIN6O3/c1-21-16(28)12-6-11(27)17(29-12)26-8-23-13-14(24-18(19)25-15(13)26)22-7-9-3-2-4-10(20)5-9/h2-5,8,11-12,17,27H,6-7H2,1H3,(H,21,28)(H,22,24,25)/t11-,12+,17-/m1/s1
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33n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A3 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50118812
PNG
((2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylami...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1
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54n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50118812
PNG
((2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylami...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1
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56n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2A receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50453669
PNG
(CHEMBL2113699)
Show SMILES CNC(=O)[C@@H]1C[C@@H](OC(C)=O)[C@@H](O1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C20H20ClIN6O4/c1-10(29)31-14-7-13(18(30)23-2)32-19(14)28-9-25-15-16(26-20(21)27-17(15)28)24-8-11-4-3-5-12(22)6-11/h3-6,9,13-14,19H,7-8H2,1-2H3,(H,23,30)(H,24,26,27)/t13-,14+,19+/m0/s1
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63n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A3 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50034904
PNG
(CHEMBL49758 | N-[2-Chloro-9-(tetrahydro-furan-2-yl...)
Show SMILES Clc1nc(NC(=O)c2cccc(I)c2)c2ncn(C3CCCO3)c2n1
Show InChI InChI=1S/C16H13ClIN5O2/c17-16-21-13(20-15(24)9-3-1-4-10(18)7-9)12-14(22-16)23(8-19-12)11-5-2-6-25-11/h1,3-4,7-8,11H,2,5-6H2,(H,20,21,22,24)
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174n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453671
PNG
(CHEMBL2113701)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@@H]2OC(=S)O[C@H]12)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C19H16ClIN6O4S/c1-22-16(28)12-11-13(31-19(32)30-11)17(29-12)27-7-24-10-14(25-18(20)26-15(10)27)23-6-8-3-2-4-9(21)5-8/h2-5,7,11-13,17H,6H2,1H3,(H,22,28)(H,23,25,26)/t11-,12+,13-,17-/m1/s1
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179n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50453665
PNG
(CHEMBL2113415)
Show SMILES O[C@@H]1CO[C@H]([C@@H]1O)n1cnc2c(NC(=O)c3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C16H13ClIN5O4/c17-16-21-12(20-14(26)7-2-1-3-8(18)4-7)10-13(22-16)23(6-19-10)15-11(25)9(24)5-27-15/h1-4,6,9,11,15,24-25H,5H2,(H,20,21,22,26)/t9-,11-,15-/m1/s1
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276n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A3 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50453667
PNG
(CHEMBL2113687)
Show SMILES CSc1nc(NCc2cccc(I)c2)c2ncn(C)c2n1
Show InChI InChI=1S/C14H14IN5S/c1-20-8-17-11-12(18-14(21-2)19-13(11)20)16-7-9-4-3-5-10(15)6-9/h3-6,8H,7H2,1-2H3,(H,16,18,19)
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299n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A3 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50034896
PNG
(3-Iodo-N-(9-methyl-2-propylamino-9H-purin-6-yl)-be...)
Show SMILES CCCNc1nc(NC(=O)c2cccc(I)c2)c2ncn(C)c2n1
Show InChI InChI=1S/C16H17IN6O/c1-3-7-18-16-21-13(12-14(22-16)23(2)9-19-12)20-15(24)10-5-4-6-11(17)8-10/h4-6,8-9H,3,7H2,1-2H3,(H2,18,20,21,22,24)
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330n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453653
PNG
(CHEMBL2113698)
Show SMILES CNC(=O)[C@@H]1C[C@H](N=[N+]=[N-])[C@@H](O1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C18H17ClIN9O2/c1-22-16(30)12-6-11(27-28-21)17(31-12)29-8-24-13-14(25-18(19)26-15(13)29)23-7-9-3-2-4-10(20)5-9/h2-5,8,11-12,17H,6-7H2,1H3,(H,22,30)(H,23,25,26)/t11-,12-,17+/m0/s1
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401n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50009684
PNG
(CHEMBL301574 | Cyclopentyl-(9-ethyl-9H-purin-6-yl)...)
Show SMILES CCn1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C12H17N5/c1-2-17-8-15-10-11(13-7-14-12(10)17)16-9-5-3-4-6-9/h7-9H,2-6H2,1H3,(H,13,14,16)
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440n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453672
PNG
(CHEMBL2113702)
Show SMILES Cn1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C13H11ClIN5/c1-20-7-17-10-11(18-13(14)19-12(10)20)16-6-8-3-2-4-9(15)5-8/h2-5,7H,6H2,1H3,(H,16,18,19)
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450n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50034908
PNG
((2R,3S)-3-((R)-6-Amino-purin-9-yl)-nonan-2-ol | (2...)
Show SMILES CCCCCC[C@@H]([C@@H](C)O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m1/s1
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455n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50453675
PNG
(CHEMBL2113400)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)c3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C18H16ClIN6O5/c1-21-16(30)12-10(27)11(28)17(31-12)26-6-22-9-13(24-18(19)25-14(9)26)23-15(29)7-3-2-4-8(20)5-7/h2-6,10-12,17,27-28H,1H3,(H,21,30)(H,23,24,25,29)/t10-,11+,12-,17+/m0/s1
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470n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2A receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453661
PNG
(CHEMBL2113691)
Show SMILES COc1nc(NCc2cccc(I)c2)c2ncn(C)c2n1
Show InChI InChI=1S/C14H14IN5O/c1-20-8-17-11-12(18-14(21-2)19-13(11)20)16-7-9-4-3-5-10(15)6-9/h3-6,8H,7H2,1-2H3,(H,16,18,19)
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500n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50009698
PNG
(CHEMBL48278 | Cyclopentyl-(9-methyl-9H-purin-6-yl)...)
Show SMILES Cn1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C11H15N5/c1-16-7-14-9-10(12-6-13-11(9)16)15-8-4-2-3-5-8/h6-8H,2-5H2,1H3,(H,12,13,15)
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540n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453658
PNG
(CHEMBL2113693)
Show SMILES CNc1nc(NCc2cccc(I)c2)c2ncn(C)c2n1
Show InChI InChI=1S/C14H15IN6/c1-16-14-19-12(11-13(20-14)21(2)8-18-11)17-7-9-4-3-5-10(15)6-9/h3-6,8H,7H2,1-2H3,(H2,16,17,19,20)
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648n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453660
PNG
(CHEMBL2113397)
Show SMILES CNc1nc(NC(=O)c2cccc(I)c2)c2ncn([C@@H]3OC[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C17H17IN6O4/c1-19-17-22-13(21-15(27)8-3-2-4-9(18)5-8)11-14(23-17)24(7-20-11)16-12(26)10(25)6-28-16/h2-5,7,10,12,16,25-26H,6H2,1H3,(H2,19,21,22,23,27)/t10-,12-,16-/m1/s1
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660n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453669
PNG
(CHEMBL2113699)
Show SMILES CNC(=O)[C@@H]1C[C@@H](OC(C)=O)[C@@H](O1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C20H20ClIN6O4/c1-10(29)31-14-7-13(18(30)23-2)32-19(14)28-9-25-15-16(26-20(21)27-17(15)28)24-8-11-4-3-5-12(22)6-11/h3-6,9,13-14,19H,7-8H2,1-2H3,(H,23,30)(H,24,26,27)/t13-,14+,19+/m0/s1
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778n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453665
PNG
(CHEMBL2113415)
Show SMILES O[C@@H]1CO[C@H]([C@@H]1O)n1cnc2c(NC(=O)c3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C16H13ClIN5O4/c17-16-21-12(20-14(26)7-2-1-3-8(18)4-7)10-13(22-16)23(6-19-10)15-11(25)9(24)5-27-15/h1-4,6,9,11,15,24-25H,5H2,(H,20,21,22,26)/t9-,11-,15-/m1/s1
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811n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453675
PNG
(CHEMBL2113400)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)c3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C18H16ClIN6O5/c1-21-16(30)12-10(27)11(28)17(31-12)26-6-22-9-13(24-18(19)25-14(9)26)23-15(29)7-3-2-4-8(20)5-7/h2-6,10-12,17,27-28H,1H3,(H,21,30)(H,23,24,25,29)/t10-,11+,12-,17+/m0/s1
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820n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453668
PNG
(CHEMBL2113686)
Show SMILES Cn1cnc2c(NCc3cccc(I)c3)nc(Sc3ccncc3)nc12
Show InChI InChI=1S/C18H15IN6S/c1-25-11-22-15-16(21-10-12-3-2-4-13(19)9-12)23-18(24-17(15)25)26-14-5-7-20-8-6-14/h2-9,11H,10H2,1H3,(H,21,23,24)
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840n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50453671
PNG
(CHEMBL2113701)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@@H]2OC(=S)O[C@H]12)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C19H16ClIN6O4S/c1-22-16(28)12-11-13(31-19(32)30-11)17(29-12)27-7-24-10-14(25-18(20)26-15(10)27)23-6-8-3-2-4-9(21)5-8/h2-5,7,11-13,17H,6H2,1H3,(H,22,28)(H,23,25,26)/t11-,12+,13-,17-/m1/s1
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871n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2A receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50453658
PNG
(CHEMBL2113693)
Show SMILES CNc1nc(NCc2cccc(I)c2)c2ncn(C)c2n1
Show InChI InChI=1S/C14H15IN6/c1-16-14-19-12(11-13(20-14)21(2)8-18-11)17-7-9-4-3-5-10(15)6-9/h3-6,8H,7H2,1-2H3,(H2,16,17,19,20)
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974n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A3 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453674
PNG
(CHEMBL2113703)
Show SMILES CNC(=O)[C@@H]1C[C@@H](O)[C@@H](O1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C18H18ClIN6O3/c1-21-16(28)12-6-11(27)17(29-12)26-8-23-13-14(24-18(19)25-15(13)26)22-7-9-3-2-4-10(20)5-9/h2-5,8,11-12,17,27H,6-7H2,1H3,(H,21,28)(H,22,24,25)/t11-,12+,17-/m1/s1
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1.03E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50453661
PNG
(CHEMBL2113691)
Show SMILES COc1nc(NCc2cccc(I)c2)c2ncn(C)c2n1
Show InChI InChI=1S/C14H14IN5O/c1-20-8-17-11-12(18-14(21-2)19-13(11)20)16-7-9-4-3-5-10(15)6-9/h3-6,8H,7H2,1-2H3,(H,16,18,19)
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1.24E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2A receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453654
PNG
(CHEMBL2113697)
Show SMILES CNC(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)[C@@H](O1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C19H20ClIN6O5S/c1-22-17(28)12-7-13(32-33(2,29)30)18(31-12)27-9-24-14-15(25-19(20)26-16(14)27)23-8-10-4-3-5-11(21)6-10/h3-6,9,12-13,18H,7-8H2,1-2H3,(H,22,28)(H,23,25,26)/t12-,13+,18+/m0/s1
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1.29E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453666
PNG
(CHEMBL2113685)
Show SMILES CSc1nc(NCc2cccc(I)c2)c2ncn(C[C@H](O)CO)c2n1
Show InChI InChI=1S/C16H18IN5O2S/c1-25-16-20-14(18-6-10-3-2-4-11(17)5-10)13-15(21-16)22(9-19-13)7-12(24)8-23/h2-5,9,12,23-24H,6-8H2,1H3,(H,18,20,21)/t12-/m0/s1
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1.34E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453657
PNG
(CHEMBL2113694)
Show SMILES CNC(=O)[C@@H]1C[C@@H](F)[C@@H](O1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C18H17ClFIN6O2/c1-22-16(28)12-6-11(20)17(29-12)27-8-24-13-14(25-18(19)26-15(13)27)23-7-9-3-2-4-10(21)5-9/h2-5,8,11-12,17H,6-7H2,1H3,(H,22,28)(H,23,25,26)/t11-,12+,17-/m1/s1
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1.42E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453659
PNG
(CHEMBL2113692)
Show SMILES CN(C)c1nc(NCc2cccc(I)c2)c2ncn(C)c2n1
Show InChI InChI=1S/C15H17IN6/c1-21(2)15-19-13(12-14(20-15)22(3)9-18-12)17-8-10-5-4-6-11(16)7-10/h4-7,9H,8H2,1-3H3,(H,17,19,20)
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1.48E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50453667
PNG
(CHEMBL2113687)
Show SMILES CSc1nc(NCc2cccc(I)c2)c2ncn(C)c2n1
Show InChI InChI=1S/C14H14IN5S/c1-20-8-17-11-12(18-14(21-2)19-13(11)20)16-7-9-4-3-5-10(15)6-9/h3-6,8H,7H2,1-2H3,(H,16,18,19)
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1.64E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2A receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50034896
PNG
(3-Iodo-N-(9-methyl-2-propylamino-9H-purin-6-yl)-be...)
Show SMILES CCCNc1nc(NC(=O)c2cccc(I)c2)c2ncn(C)c2n1
Show InChI InChI=1S/C16H17IN6O/c1-3-7-18-16-21-13(12-14(22-16)23(2)9-19-12)20-15(24)10-5-4-6-11(17)8-10/h4-6,8-9H,3,7H2,1-2H3,(H2,18,20,21,22,24)
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1.72E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2A receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453667
PNG
(CHEMBL2113687)
Show SMILES CSc1nc(NCc2cccc(I)c2)c2ncn(C)c2n1
Show InChI InChI=1S/C14H14IN5S/c1-20-8-17-11-12(18-14(21-2)19-13(11)20)16-7-9-4-3-5-10(15)6-9/h3-6,8H,7H2,1-2H3,(H,16,18,19)
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1.89E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50453662
PNG
(CHEMBL2113690)
Show SMILES Cn1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C13H12IN5/c1-19-8-18-11-12(16-7-17-13(11)19)15-6-9-3-2-4-10(14)5-9/h2-5,7-8H,6H2,1H3,(H,15,16,17)
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2.23E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2A receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50453672
PNG
(CHEMBL2113702)
Show SMILES Cn1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C13H11ClIN5/c1-20-7-17-10-11(18-13(14)19-12(10)20)16-6-8-3-2-4-9(15)5-8/h2-5,7H,6H2,1H3,(H,16,18,19)
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2.70E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2A receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50453665
PNG
(CHEMBL2113415)
Show SMILES O[C@@H]1CO[C@H]([C@@H]1O)n1cnc2c(NC(=O)c3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C16H13ClIN5O4/c17-16-21-12(20-14(26)7-2-1-3-8(18)4-7)10-13(22-16)23(6-19-10)15-11(25)9(24)5-27-15/h1-4,6,9,11,15,24-25H,5H2,(H,20,21,22,26)/t9-,11-,15-/m1/s1
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2.89E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2A receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50453670
PNG
(CHEMBL2113700)
Show SMILES Cn1cnc2c(NCc3cccc(I)c3)nc(N)nc12
Show InChI InChI=1S/C13H13IN6/c1-20-7-17-10-11(18-13(15)19-12(10)20)16-6-8-3-2-4-9(14)5-8/h2-5,7H,6H2,1H3,(H3,15,16,18,19)
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3.22E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2A receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50453660
PNG
(CHEMBL2113397)
Show SMILES CNc1nc(NC(=O)c2cccc(I)c2)c2ncn([C@@H]3OC[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C17H17IN6O4/c1-19-17-22-13(21-15(27)8-3-2-4-9(18)5-8)11-14(23-17)24(7-20-11)16-12(26)10(25)6-28-16/h2-5,7,10,12,16,25-26H,6H2,1H3,(H2,19,21,22,23,27)/t10-,12-,16-/m1/s1
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3.39E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2A receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50106542
PNG
(4-Amino-5-[2-chloro-6-(3-iodo-benzylamino)-purin-9...)
Show SMILES CNC(=O)[C@@H]1C[C@H](N)[C@@H](O1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C18H19ClIN7O2/c1-22-16(28)12-6-11(21)17(29-12)27-8-24-13-14(25-18(19)26-15(13)27)23-7-9-3-2-4-10(20)5-9/h2-5,8,11-12,17H,6-7,21H2,1H3,(H,22,28)(H,23,25,26)/t11-,12-,17+/m0/s1
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3.40E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A3 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50034904
PNG
(CHEMBL49758 | N-[2-Chloro-9-(tetrahydro-furan-2-yl...)
Show SMILES Clc1nc(NC(=O)c2cccc(I)c2)c2ncn(C3CCCO3)c2n1
Show InChI InChI=1S/C16H13ClIN5O2/c17-16-21-13(20-15(24)9-3-1-4-10(18)7-9)12-14(22-16)23(8-19-12)11-5-2-6-25-11/h1,3-4,7-8,11H,2,5-6H2,(H,20,21,22,24)
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3.47E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A3 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50453658
PNG
(CHEMBL2113693)
Show SMILES CNc1nc(NCc2cccc(I)c2)c2ncn(C)c2n1
Show InChI InChI=1S/C14H15IN6/c1-16-14-19-12(11-13(20-14)21(2)8-18-11)17-7-9-4-3-5-10(15)6-9/h3-6,8H,7H2,1-2H3,(H2,16,17,19,20)
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3.56E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2A receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50034904
PNG
(CHEMBL49758 | N-[2-Chloro-9-(tetrahydro-furan-2-yl...)
Show SMILES Clc1nc(NC(=O)c2cccc(I)c2)c2ncn(C3CCCO3)c2n1
Show InChI InChI=1S/C16H13ClIN5O2/c17-16-21-13(20-15(24)9-3-1-4-10(18)7-9)12-14(22-16)23(8-19-12)11-5-2-6-25-11/h1,3-4,7-8,11H,2,5-6H2,(H,20,21,22,24)
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4.12E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2A receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50034878
PNG
(CHEMBL48461 | N-(2-Hexylamino-9-methyl-9H-purin-6-...)
Show SMILES CCCCCCNc1nc(NC(=O)c2cccc(I)c2)c2ncn(C)c2n1
Show InChI InChI=1S/C19H23IN6O/c1-3-4-5-6-10-21-19-24-16(15-17(25-19)26(2)12-22-15)23-18(27)13-8-7-9-14(20)11-13/h7-9,11-12H,3-6,10H2,1-2H3,(H2,21,23,24,25,27)
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4.48E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50453674
PNG
(CHEMBL2113703)
Show SMILES CNC(=O)[C@@H]1C[C@@H](O)[C@@H](O1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C18H18ClIN6O3/c1-21-16(28)12-6-11(27)17(29-12)26-8-23-13-14(24-18(19)25-15(13)26)22-7-9-3-2-4-10(20)5-9/h2-5,8,11-12,17,27H,6-7H2,1H3,(H,21,28)(H,22,24,25)/t11-,12+,17-/m1/s1
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4.66E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2A receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453679
PNG
(CHEMBL2113707)
Show SMILES Cn1cnc2c(NCc3cccc(I)c3)nc(NN)nc12
Show InChI InChI=1S/C13H14IN7/c1-21-7-17-10-11(18-13(20-15)19-12(10)21)16-6-8-3-2-4-9(14)5-8/h2-5,7H,6,15H2,1H3,(H2,16,18,19,20)
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5.44E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453670
PNG
(CHEMBL2113700)
Show SMILES Cn1cnc2c(NCc3cccc(I)c3)nc(N)nc12
Show InChI InChI=1S/C13H13IN6/c1-20-7-17-10-11(18-13(15)19-12(10)20)16-6-8-3-2-4-9(14)5-8/h2-5,7H,6H2,1H3,(H3,15,16,18,19)
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5.57E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453662
PNG
(CHEMBL2113690)
Show SMILES Cn1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C13H12IN5/c1-19-8-18-11-12(16-7-17-13(11)19)15-6-9-3-2-4-10(14)5-9/h2-5,7-8H,6H2,1H3,(H,15,16,17)
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5.73E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50368994
PNG
(CHEMBL1791403)
Show SMILES CC(O)[C@@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C11H15N5O4/c1-4(17)8-6(18)7(19)11(20-8)16-3-15-5-9(12)13-2-14-10(5)16/h2-4,6-8,11,17-19H,1H3,(H2,12,13,14)/t4?,6-,7+,8-,11+/m0/s1
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6.00E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A3 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50453653
PNG
(CHEMBL2113698)
Show SMILES CNC(=O)[C@@H]1C[C@H](N=[N+]=[N-])[C@@H](O1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C18H17ClIN9O2/c1-22-16(30)12-6-11(27-28-21)17(31-12)29-8-24-13-14(25-18(19)26-15(13)29)23-7-9-3-2-4-10(20)5-9/h2-5,8,11-12,17H,6-7H2,1H3,(H,22,30)(H,23,25,26)/t11-,12-,17+/m0/s1
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6.01E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A3 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453677
PNG
(CHEMBL2113704)
Show SMILES Ic1cccc(CNc2ncnc3n(CCCC#N)cnc23)c1
Show InChI InChI=1S/C16H15IN6/c17-13-5-3-4-12(8-13)9-19-15-14-16(21-10-20-15)23(11-22-14)7-2-1-6-18/h3-5,8,10-11H,1-2,7,9H2,(H,19,20,21)
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6.03E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50106542
PNG
(4-Amino-5-[2-chloro-6-(3-iodo-benzylamino)-purin-9...)
Show SMILES CNC(=O)[C@@H]1C[C@H](N)[C@@H](O1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C18H19ClIN7O2/c1-22-16(28)12-6-11(21)17(29-12)27-8-24-13-14(25-18(19)26-15(13)27)23-7-9-3-2-4-10(20)5-9/h2-5,8,11-12,17H,6-7,21H2,1H3,(H,22,28)(H,23,25,26)/t11-,12-,17+/m0/s1
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6.69E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50453654
PNG
(CHEMBL2113697)
Show SMILES CNC(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)[C@@H](O1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C19H20ClIN6O5S/c1-22-17(28)12-7-13(32-33(2,29)30)18(31-12)27-9-24-14-15(25-19(20)26-16(14)27)23-8-10-4-3-5-11(21)6-10/h3-6,9,12-13,18H,7-8H2,1-2H3,(H,22,28)(H,23,25,26)/t12-,13+,18+/m0/s1
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7.27E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A3 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50453666
PNG
(CHEMBL2113685)
Show SMILES CSc1nc(NCc2cccc(I)c2)c2ncn(C[C@H](O)CO)c2n1
Show InChI InChI=1S/C16H18IN5O2S/c1-25-16-20-14(18-6-10-3-2-4-11(17)5-10)13-15(21-16)22(9-19-13)7-12(24)8-23/h2-5,9,12,23-24H,6-8H2,1H3,(H,18,20,21)/t12-/m0/s1
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8.59E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A3 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50453659
PNG
(CHEMBL2113692)
Show SMILES CN(C)c1nc(NCc2cccc(I)c2)c2ncn(C)c2n1
Show InChI InChI=1S/C15H17IN6/c1-21(2)15-19-13(12-14(20-15)22(3)9-18-12)17-8-10-5-4-6-11(16)7-10/h4-7,9H,8H2,1-3H3,(H,17,19,20)
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9.89E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2A receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50034878
PNG
(CHEMBL48461 | N-(2-Hexylamino-9-methyl-9H-purin-6-...)
Show SMILES CCCCCCNc1nc(NC(=O)c2cccc(I)c2)c2ncn(C)c2n1
Show InChI InChI=1S/C19H23IN6O/c1-3-4-5-6-10-21-19-24-16(15-17(25-19)26(2)12-22-15)23-18(27)13-8-7-9-14(20)11-13/h7-9,11-12H,3-6,10H2,1-2H3,(H2,21,23,24,25,27)
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1.10E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2A receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50009698
PNG
(CHEMBL48278 | Cyclopentyl-(9-methyl-9H-purin-6-yl)...)
Show SMILES Cn1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C11H15N5/c1-16-7-14-9-10(12-6-13-11(9)16)15-8-4-2-3-5-8/h6-8H,2-5H2,1H3,(H,12,13,15)
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1.10E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2A receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453655
PNG
(CHEMBL2113696)
Show SMILES CNC(=O)[C@@H]1CC[C@@H](O1)n1cnc2c(NCc3ccccc3)nc(Cl)nc12
Show InChI InChI=1S/C18H19ClN6O2/c1-20-17(26)12-7-8-13(27-12)25-10-22-14-15(23-18(19)24-16(14)25)21-9-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3,(H,20,26)(H,21,23,24)/t12-,13+/m0/s1
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1.15E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50453668
PNG
(CHEMBL2113686)
Show SMILES Cn1cnc2c(NCc3cccc(I)c3)nc(Sc3ccncc3)nc12
Show InChI InChI=1S/C18H15IN6S/c1-25-11-22-15-16(21-10-12-3-2-4-13(19)9-12)23-18(24-17(15)25)26-14-5-7-20-8-6-14/h2-9,11H,10H2,1H3,(H,21,23,24)
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1.16E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2A receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50453656
PNG
(CHEMBL2113695)
Show SMILES CC(C)[Si]1(OC[C@H]2O[C@H]([C@H](O)[C@@H]2O[Si](O1)(C(C)C)C(C)C)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12)C(C)C
Show InChI InChI=1S/C29H43ClIN5O5Si2/c1-16(2)42(17(3)4)38-14-22-25(40-43(41-42,18(5)6)19(7)8)24(37)28(39-22)36-15-33-23-26(34-29(30)35-27(23)36)32-13-20-10-9-11-21(31)12-20/h9-12,15-19,22,24-25,28,37H,13-14H2,1-8H3,(H,32,34,35)/t22-,24-,25-,28-/m1/s1
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1.31E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A3 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453652
PNG
(CHEMBL2113688)
Show SMILES OC[C@@H](O)Cn1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C15H16IN5O2/c16-11-3-1-2-10(4-11)5-17-14-13-15(19-8-18-14)21(9-20-13)6-12(23)7-22/h1-4,8-9,12,22-23H,5-7H2,(H,17,18,19)/t12-/m0/s1
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1.38E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50453673
PNG
(CHEMBL2112076)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6+,9-/m1/s1
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1.40E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A3 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50453659
PNG
(CHEMBL2113692)
Show SMILES CN(C)c1nc(NCc2cccc(I)c2)c2ncn(C)c2n1
Show InChI InChI=1S/C15H17IN6/c1-21(2)15-19-13(12-14(20-15)22(3)9-18-12)17-8-10-5-4-6-11(16)7-10/h4-7,9H,8H2,1-3H3,(H,17,19,20)
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1.50E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A3 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50453663
PNG
(CHEMBL2113689)
Show SMILES OCCn1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C14H14IN5O/c15-11-3-1-2-10(6-11)7-16-13-12-14(18-8-17-13)20(4-5-21)9-19-12/h1-3,6,8-9,21H,4-5,7H2,(H,16,17,18)
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1.51E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2A receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50453669
PNG
(CHEMBL2113699)
Show SMILES CNC(=O)[C@@H]1C[C@@H](OC(C)=O)[C@@H](O1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C20H20ClIN6O4/c1-10(29)31-14-7-13(18(30)23-2)32-19(14)28-9-25-15-16(26-20(21)27-17(15)28)24-8-11-4-3-5-12(22)6-11/h3-6,9,13-14,19H,7-8H2,1-2H3,(H,23,30)(H,24,26,27)/t13-,14+,19+/m0/s1
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1.59E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2A receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50009684
PNG
(CHEMBL301574 | Cyclopentyl-(9-ethyl-9H-purin-6-yl)...)
Show SMILES CCn1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C12H17N5/c1-2-17-8-15-10-11(13-7-14-12(10)17)16-9-5-3-4-6-9/h7-9H,2-6H2,1H3,(H,13,14,16)
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1.70E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2A receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50453657
PNG
(CHEMBL2113694)
Show SMILES CNC(=O)[C@@H]1C[C@@H](F)[C@@H](O1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C18H17ClFIN6O2/c1-22-16(28)12-6-11(20)17(29-12)27-8-24-13-14(25-18(19)26-15(13)27)23-7-9-3-2-4-10(21)5-9/h2-5,8,11-12,17H,6-7H2,1H3,(H,22,28)(H,23,25,26)/t11-,12+,17-/m1/s1
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1.78E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A3 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50453661
PNG
(CHEMBL2113691)
Show SMILES COc1nc(NCc2cccc(I)c2)c2ncn(C)c2n1
Show InChI InChI=1S/C14H14IN5O/c1-20-8-17-11-12(18-14(21-2)19-13(11)20)16-7-9-4-3-5-10(15)6-9/h3-6,8H,7H2,1-2H3,(H,16,18,19)
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1.83E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A3 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50453677
PNG
(CHEMBL2113704)
Show SMILES Ic1cccc(CNc2ncnc3n(CCCC#N)cnc23)c1
Show InChI InChI=1S/C16H15IN6/c17-13-5-3-4-12(8-13)9-19-15-14-16(21-10-20-15)23(11-22-14)7-2-1-6-18/h3-5,8,10-11H,1-2,7,9H2,(H,19,20,21)
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1.87E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2A receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50453652
PNG
(CHEMBL2113688)
Show SMILES OC[C@@H](O)Cn1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C15H16IN5O2/c16-11-3-1-2-10(4-11)5-17-14-13-15(19-8-18-14)21(9-20-13)6-12(23)7-22/h1-4,8-9,12,22-23H,5-7H2,(H,17,18,19)/t12-/m0/s1
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1.89E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2A receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50034878
PNG
(CHEMBL48461 | N-(2-Hexylamino-9-methyl-9H-purin-6-...)
Show SMILES CCCCCCNc1nc(NC(=O)c2cccc(I)c2)c2ncn(C)c2n1
Show InChI InChI=1S/C19H23IN6O/c1-3-4-5-6-10-21-19-24-16(15-17(25-19)26(2)12-22-15)23-18(27)13-8-7-9-14(20)11-13/h7-9,11-12H,3-6,10H2,1-2H3,(H2,21,23,24,25,27)
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1.90E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A3 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453676
PNG
(CHEMBL2112077)
Show SMILES C[C@@H](CO)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C15H16IN5O/c1-10(7-22)21-9-20-13-14(18-8-19-15(13)21)17-6-11-3-2-4-12(16)5-11/h2-5,8-10,22H,6-7H2,1H3,(H,17,18,19)/t10-/m0/s1
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1.91E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50453664
PNG
(CHEMBL2094002)
Show SMILES CNC(=O)[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C19H21IN6O3/c1-21-19(29)12-6-13(16(28)15(12)27)26-9-25-14-17(23-8-24-18(14)26)22-7-10-3-2-4-11(20)5-10/h2-5,8-9,12-13,15-16,27-28H,6-7H2,1H3,(H,21,29)(H,22,23,24)/t12-,13+,15+,16-/m0/s1
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1.95E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A3 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50453679
PNG
(CHEMBL2113707)
Show SMILES Cn1cnc2c(NCc3cccc(I)c3)nc(NN)nc12
Show InChI InChI=1S/C13H14IN7/c1-21-7-17-10-11(18-13(20-15)19-12(10)21)16-6-8-3-2-4-9(14)5-8/h2-5,7H,6,15H2,1H3,(H2,16,18,19,20)
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1.96E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2A receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50034896
PNG
(3-Iodo-N-(9-methyl-2-propylamino-9H-purin-6-yl)-be...)
Show SMILES CCCNc1nc(NC(=O)c2cccc(I)c2)c2ncn(C)c2n1
Show InChI InChI=1S/C16H17IN6O/c1-3-7-18-16-21-13(12-14(22-16)23(2)9-19-12)20-15(24)10-5-4-6-11(17)8-10/h4-6,8-9H,3,7H2,1-2H3,(H2,18,20,21,22,24)
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2.00E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A3 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453663
PNG
(CHEMBL2113689)
Show SMILES OCCn1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C14H14IN5O/c15-11-3-1-2-10(6-11)7-16-13-12-14(18-8-17-13)20(4-5-21)9-19-12/h1-3,6,8-9,21H,4-5,7H2,(H,16,17,18)
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2.29E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453673
PNG
(CHEMBL2112076)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6+,9-/m1/s1
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2.42E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50453652
PNG
(CHEMBL2113688)
Show SMILES OC[C@@H](O)Cn1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C15H16IN5O2/c16-11-3-1-2-10(4-11)5-17-14-13-15(19-8-18-14)21(9-20-13)6-12(23)7-22/h1-4,8-9,12,22-23H,5-7H2,(H,17,18,19)/t12-/m0/s1
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2.49E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A3 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50453653
PNG
(CHEMBL2113698)
Show SMILES CNC(=O)[C@@H]1C[C@H](N=[N+]=[N-])[C@@H](O1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C18H17ClIN9O2/c1-22-16(30)12-6-11(27-28-21)17(31-12)29-8-24-13-14(25-18(19)26-15(13)29)23-7-9-3-2-4-10(20)5-9/h2-5,8,11-12,17H,6-7H2,1H3,(H,22,30)(H,23,25,26)/t11-,12-,17+/m0/s1
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2.81E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2A receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50453655
PNG
(CHEMBL2113696)
Show SMILES CNC(=O)[C@@H]1CC[C@@H](O1)n1cnc2c(NCc3ccccc3)nc(Cl)nc12
Show InChI InChI=1S/C18H19ClN6O2/c1-20-17(26)12-7-8-13(27-12)25-10-22-14-15(23-18(19)24-16(14)25)21-9-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3,(H,20,26)(H,21,23,24)/t12-,13+/m0/s1
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3.09E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A3 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453664
PNG
(CHEMBL2094002)
Show SMILES CNC(=O)[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C19H21IN6O3/c1-21-19(29)12-6-13(16(28)15(12)27)26-9-25-14-17(23-8-24-18(14)26)22-7-10-3-2-4-11(20)5-10/h2-5,8-9,12-13,15-16,27-28H,6-7H2,1H3,(H,21,29)(H,22,23,24)/t12-,13+,15+,16-/m0/s1
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3.59E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50453670
PNG
(CHEMBL2113700)
Show SMILES Cn1cnc2c(NCc3cccc(I)c3)nc(N)nc12
Show InChI InChI=1S/C13H13IN6/c1-20-7-17-10-11(18-13(15)19-12(10)20)16-6-8-3-2-4-9(14)5-8/h2-5,7H,6H2,1H3,(H3,15,16,18,19)
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4.01E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A3 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50453676
PNG
(CHEMBL2112077)
Show SMILES C[C@@H](CO)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C15H16IN5O/c1-10(7-22)21-9-20-13-14(18-8-19-15(13)21)17-6-11-3-2-4-12(16)5-11/h2-5,8-10,22H,6-7H2,1H3,(H,17,18,19)/t10-/m0/s1
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4.18E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2A receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50453654
PNG
(CHEMBL2113697)
Show SMILES CNC(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)[C@@H](O1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C19H20ClIN6O5S/c1-22-17(28)12-7-13(32-33(2,29)30)18(31-12)27-9-24-14-15(25-19(20)26-16(14)27)23-8-10-4-3-5-11(21)6-10/h3-6,9,12-13,18H,7-8H2,1-2H3,(H,22,28)(H,23,25,26)/t12-,13+,18+/m0/s1
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4.19E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2A receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50453662
PNG
(CHEMBL2113690)
Show SMILES Cn1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C13H12IN5/c1-19-8-18-11-12(16-7-17-13(11)19)15-6-9-3-2-4-10(14)5-9/h2-5,7-8H,6H2,1H3,(H,15,16,17)
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4.83E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A3 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50453672
PNG
(CHEMBL2113702)
Show SMILES Cn1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C13H11ClIN5/c1-20-7-17-10-11(18-13(14)19-12(10)20)16-6-8-3-2-4-9(15)5-8/h2-5,7H,6H2,1H3,(H,16,18,19)
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5.10E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A3 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50368994
PNG
(CHEMBL1791403)
Show SMILES CC(O)[C@@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C11H15N5O4/c1-4(17)8-6(18)7(19)11(20-8)16-3-15-5-9(12)13-2-14-10(5)16/h2-4,6-8,11,17-19H,1H3,(H2,12,13,14)/t4?,6-,7+,8-,11+/m0/s1
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5.47E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2A receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50453663
PNG
(CHEMBL2113689)
Show SMILES OCCn1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C14H14IN5O/c15-11-3-1-2-10(6-11)7-16-13-12-14(18-8-17-13)20(4-5-21)9-19-12/h1-3,6,8-9,21H,4-5,7H2,(H,16,17,18)
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6.25E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A3 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453656
PNG
(CHEMBL2113695)
Show SMILES CC(C)[Si]1(OC[C@H]2O[C@H]([C@H](O)[C@@H]2O[Si](O1)(C(C)C)C(C)C)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12)C(C)C
Show InChI InChI=1S/C29H43ClIN5O5Si2/c1-16(2)42(17(3)4)38-14-22-25(40-43(41-42,18(5)6)19(7)8)24(37)28(39-22)36-15-33-23-26(34-29(30)35-27(23)36)32-13-20-10-9-11-21(31)12-20/h9-12,15-19,22,24-25,28,37H,13-14H2,1-8H3,(H,32,34,35)/t22-,24-,25-,28-/m1/s1
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6.63E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50453660
PNG
(CHEMBL2113397)
Show SMILES CNc1nc(NC(=O)c2cccc(I)c2)c2ncn([C@@H]3OC[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C17H17IN6O4/c1-19-17-22-13(21-15(27)8-3-2-4-9(18)5-8)11-14(23-17)24(7-20-11)16-12(26)10(25)6-28-16/h2-5,7,10,12,16,25-26H,6H2,1H3,(H2,19,21,22,23,27)/t10-,12-,16-/m1/s1
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7.31E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A3 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50453666
PNG
(CHEMBL2113685)
Show SMILES CSc1nc(NCc2cccc(I)c2)c2ncn(C[C@H](O)CO)c2n1
Show InChI InChI=1S/C16H18IN5O2S/c1-25-16-20-14(18-6-10-3-2-4-11(17)5-10)13-15(21-16)22(9-19-13)7-12(24)8-23/h2-5,9,12,23-24H,6-8H2,1H3,(H,18,20,21)/t12-/m0/s1
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7.89E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2A receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50453673
PNG
(CHEMBL2112076)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6+,9-/m1/s1
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9.00E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2A receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50453657
PNG
(CHEMBL2113694)
Show SMILES CNC(=O)[C@@H]1C[C@@H](F)[C@@H](O1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C18H17ClFIN6O2/c1-22-16(28)12-6-11(20)17(29-12)27-8-24-13-14(25-18(19)26-15(13)27)23-7-9-3-2-4-10(21)5-9/h2-5,8,11-12,17H,6-7H2,1H3,(H,22,28)(H,23,25,26)/t11-,12+,17-/m1/s1
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9.80E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2A receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50453679
PNG
(CHEMBL2113707)
Show SMILES Cn1cnc2c(NCc3cccc(I)c3)nc(NN)nc12
Show InChI InChI=1S/C13H14IN7/c1-21-7-17-10-11(18-13(20-15)19-12(10)21)16-6-8-3-2-4-9(14)5-8/h2-5,7H,6,15H2,1H3,(H2,16,18,19,20)
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1.09E+5n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A3 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50453676
PNG
(CHEMBL2112077)
Show SMILES C[C@@H](CO)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C15H16IN5O/c1-10(7-22)21-9-20-13-14(18-8-19-15(13)21)17-6-11-3-2-4-12(16)5-11/h2-5,8-10,22H,6-7H2,1H3,(H,17,18,19)/t10-/m0/s1
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1.42E+5n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A3 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50368994
PNG
(CHEMBL1791403)
Show SMILES CC(O)[C@@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C11H15N5O4/c1-4(17)8-6(18)7(19)11(20-8)16-3-15-5-9(12)13-2-14-10(5)16/h2-4,6-8,11,17-19H,1H3,(H2,12,13,14)/t4?,6-,7+,8-,11+/m0/s1
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1.50E+5n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50453668
PNG
(CHEMBL2113686)
Show SMILES Cn1cnc2c(NCc3cccc(I)c3)nc(Sc3ccncc3)nc12
Show InChI InChI=1S/C18H15IN6S/c1-25-11-22-15-16(21-10-12-3-2-4-13(19)9-12)23-18(24-17(15)25)26-14-5-7-20-8-6-14/h2-9,11H,10H2,1H3,(H,21,23,24)
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1.66E+5n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A3 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50453677
PNG
(CHEMBL2113704)
Show SMILES Ic1cccc(CNc2ncnc3n(CCCC#N)cnc23)c1
Show InChI InChI=1S/C16H15IN6/c17-13-5-3-4-12(8-13)9-19-15-14-16(21-10-20-15)23(11-22-14)7-2-1-6-18/h3-5,8,10-11H,1-2,7,9H2,(H,19,20,21)
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1.85E+5n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A3 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50453655
PNG
(CHEMBL2113696)
Show SMILES CNC(=O)[C@@H]1CC[C@@H](O1)n1cnc2c(NCc3ccccc3)nc(Cl)nc12
Show InChI InChI=1S/C18H19ClN6O2/c1-20-17(26)12-7-8-13(27-12)25-10-22-14-15(23-18(19)24-16(14)25)21-9-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3,(H,20,26)(H,21,23,24)/t12-,13+/m0/s1
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2.20E+5n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2A receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50453678
PNG
(CHEMBL2113705)
Show SMILES OC(=O)Cn1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C14H12IN5O2/c15-10-3-1-2-9(4-10)5-16-13-12-14(18-7-17-13)20(8-19-12)6-11(21)22/h1-4,7-8H,5-6H2,(H,21,22)(H,16,17,18)
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2.25E+5n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A3 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50009698
PNG
(CHEMBL48278 | Cyclopentyl-(9-methyl-9H-purin-6-yl)...)
Show SMILES Cn1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C11H15N5/c1-16-7-14-9-10(12-6-13-11(9)16)15-8-4-2-3-5-8/h6-8H,2-5H2,1H3,(H,12,13,15)
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1.33E+6n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A3 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%