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Compile Data Set for Download or QSAR

Found 831 hits with Last Name = 'vittori' and Initial = 's'   
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 deaminase


(Bos taurus (bovine))
BDBM22925
PNG
((8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxol...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2[C@H](O)CNC=Nc12
Show InChI InChI=1S/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,16-18H,1-3H2,(H,12,13)/t6-,7+,8+,9+/m0/s1
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0.00100n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of adenosine deaminase from calf intestine; Range of 0.01-0.001 nM


J Med Chem 37: 201-5 (1994)


Article DOI: 10.1021/jm00027a026
BindingDB Entry DOI: 10.7270/Q2KD1ZHQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50369386
PNG
(CHEMBL608327)
Show SMILES CNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3Cl)ncnc12
Show InChI InChI=1S/C18H18ClIN6O4/c1-21-17(29)14-12(27)13(28)18(30-14)26-7-25-11-15(23-6-24-16(11)26)22-5-8-3-2-4-9(20)10(8)19/h2-4,6-7,12-14,18,27-28H,5H2,1H3,(H,21,29)(H,22,23,24)/t12-,13+,14-,18?/m0/s1
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0.330n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against rat adenosine A3 receptor expressed in CHO cells using [125I]-.


J Med Chem 41: 3174-85 (1998)


Article DOI: 10.1021/jm980147p
BindingDB Entry DOI: 10.7270/Q2765G10
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50041905
PNG
(5-[6-Amino-2-(3-hydroxy-3-phenyl-prop-1-ynyl)-puri...)
Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CC(O)c1ccccc1
Show InChI InChI=1S/C21H22N6O5/c1-2-23-20(31)17-15(29)16(30)21(32-17)27-10-24-14-18(22)25-13(26-19(14)27)9-8-12(28)11-6-4-3-5-7-11/h3-7,10,12,15-17,21,28-30H,2H2,1H3,(H,23,31)(H2,22,25,26)
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0.420n/an/an/an/an/an/an/an/a



Universität Würzburg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)


Article DOI: 10.1016/j.bioorg.2015.09.004
BindingDB Entry DOI: 10.7270/Q2R20ZXT
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM85208
PNG
(S-PHPNECA)
Show SMILES CCNC(=O)[C@@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CC(O)c1ccccc1
Show InChI InChI=1S/C21H22N6O5/c1-2-23-20(31)17-15(29)16(30)21(32-17)27-10-24-14-18(22)25-13(26-19(14)27)9-8-12(28)11-6-4-3-5-7-11/h3-7,10,12,15-17,21,28-30H,2H2,1H3,(H,23,31)(H2,22,25,26)/t12?,15-,16+,17+,21?/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Università di Camerino

Curated by PDSP Ki Database




Bioorg Med Chem 5: 2267-75 (1997)


Article DOI: 10.1111/cbdd.12539
BindingDB Entry DOI: 10.7270/Q24Q7SJF
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM85523
PNG
(6S, (S)-PHPNECA)
Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#C[C@H](O)c1ccccc1
Show InChI InChI=1S/C21H22N6O5/c1-2-23-20(31)17-15(29)16(30)21(32-17)27-10-24-14-18(22)25-13(26-19(14)27)9-8-12(28)11-6-4-3-5-7-11/h3-7,10,12,15-17,21,28-30H,2H2,1H3,(H,23,31)(H2,22,25,26)/t12-,15?,16?,17?,21?/m0/s1
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0.75n/an/an/an/an/an/an/an/a



Universität Würzburg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)


Article DOI: 10.1016/j.bioorg.2015.09.004
BindingDB Entry DOI: 10.7270/Q2R20ZXT
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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0.800n/an/an/an/an/an/an/an/a



Pharmakologisches Institut, Heidelberg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 337: 687-9 (1988)


BindingDB Entry DOI: 10.7270/Q2QC0216
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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0.800n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]PIA from adenosine A1 receptor of rat brain membranes


J Med Chem 31: 1179-83 (1988)


Article DOI: 10.1021/jm00401a018
BindingDB Entry DOI: 10.7270/Q2QC042G
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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0.800n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity against low affinity component of adenosine A1 receptors from rat brain membranes using [3H]-DPCPX


J Med Chem 35: 2363-8 (1992)


Article DOI: 10.1021/jm00091a003
BindingDB Entry DOI: 10.7270/Q2M9098M
More data for this
Ligand-Target Pair
Adenosine receptor


(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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0.800n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity against low affinity component of adenosine A1 receptors from rat brain membranes using [3H]-DPCPX


J Med Chem 35: 2363-8 (1992)


Article DOI: 10.1021/jm00091a003
BindingDB Entry DOI: 10.7270/Q2M9098M
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50041905
PNG
(5-[6-Amino-2-(3-hydroxy-3-phenyl-prop-1-ynyl)-puri...)
Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CC(O)c1ccccc1
Show InChI InChI=1S/C21H22N6O5/c1-2-23-20(31)17-15(29)16(30)21(32-17)27-10-24-14-18(22)25-13(26-19(14)27)9-8-12(28)11-6-4-3-5-7-11/h3-7,10,12,15-17,21,28-30H,2H2,1H3,(H,23,31)(H2,22,25,26)
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0.900n/an/an/an/an/an/an/an/a



Università di Camerino

Curated by PDSP Ki Database




Bioorg Med Chem 5: 2267-75 (1997)


Article DOI: 10.1111/cbdd.12539
BindingDB Entry DOI: 10.7270/Q24Q7SJF
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50454421
PNG
(CHEMBL2113529)
Show SMILES CCCCCCc1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
Show InChI InChI=1S/C18H28N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h9,12-14,18,25-26H,3-8H2,1-2H3,(H,20,27)(H2,19,22,23)/t12-,13+,14-,18+/m0/s1
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>1n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from Adenosine A1 receptor of rat brain


J Med Chem 39: 4211-7 (1996)


Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50454422
PNG
(CHEMBL2113525)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(\C=C/CCCc3ccccc3)nc12
Show InChI InChI=1S/C23H28N6O4/c1-2-25-22(32)19-17(30)18(31)23(33-19)29-13-26-16-20(24)27-15(28-21(16)29)12-8-4-7-11-14-9-5-3-6-10-14/h3,5-6,8-10,12-13,17-19,23,30-31H,2,4,7,11H2,1H3,(H,25,32)(H2,24,27,28)/b12-8-/t17-,18+,19-,23+/m0/s1
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>1n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from Adenosine A1 receptor of rat brain


J Med Chem 39: 4211-7 (1996)


Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50369168
PNG
(CHEMBL608918)
Show SMILES CCCCCCc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H25N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-7H2,1H3,(H2,17,19,20)/t9-,12-,13-,16?/m1/s1
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>1n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from Adenosine A1 receptor of rat brain


J Med Chem 39: 4211-7 (1996)


Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50369168
PNG
(CHEMBL608918)
Show SMILES CCCCCCc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H25N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-7H2,1H3,(H2,17,19,20)/t9-,12-,13-,16?/m1/s1
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>1n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS- 51680 from Adenosine A2A receptor of rat striatum.


J Med Chem 39: 4211-7 (1996)


Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q
More data for this
Ligand-Target Pair
Adenosine receptor


(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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1n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity against high affinity component of adenosine A1 receptors from rat brain membranes using [3H]DPCPX


J Med Chem 35: 2363-8 (1992)


Article DOI: 10.1021/jm00091a003
BindingDB Entry DOI: 10.7270/Q2M9098M
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



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against rat adenosine A3 receptor expressed in CHO cells using [125I]-.


J Med Chem 41: 3174-85 (1998)


Article DOI: 10.1021/jm980147p
BindingDB Entry DOI: 10.7270/Q2765G10
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50205729
PNG
((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(methoxyamino)-2-...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccccn1
Show InChI InChI=1S/C19H19N7O5/c1-20-18(29)15-13(27)14(28)19(31-15)26-9-22-12-16(25-30-2)23-11(24-17(12)26)7-6-10-5-3-4-8-21-10/h3-5,8-9,13-15,19,27-28H,1-2H3,(H,20,29)(H,23,24,25)/t13-,14+,15-,19+/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 1222-30 (2007)


Article DOI: 10.1021/jm060963u
BindingDB Entry DOI: 10.7270/Q2JS9R75
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50454091
PNG
(CHEMBL2113450)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCCCc1ccccc1
Show InChI InChI=1S/C23H26N6O4/c1-2-25-22(32)19-17(30)18(31)23(33-19)29-13-26-16-20(24)27-15(28-21(16)29)12-8-4-7-11-14-9-5-3-6-10-14/h3,5-6,9-10,13,17-19,23,30-31H,2,4,7,11H2,1H3,(H,25,32)(H2,24,27,28)/t17-,18+,19-,23+/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS- 51680 from Adenosine A2A receptor of rat striatum.


J Med Chem 39: 4211-7 (1996)


Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50454091
PNG
(CHEMBL2113450)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCCCc1ccccc1
Show InChI InChI=1S/C23H26N6O4/c1-2-25-22(32)19-17(30)18(31)23(33-19)29-13-26-16-20(24)27-15(28-21(16)29)12-8-4-7-11-14-9-5-3-6-10-14/h3,5-6,9-10,13,17-19,23,30-31H,2,4,7,11H2,1H3,(H,25,32)(H2,24,27,28)/t17-,18+,19-,23+/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2a receptor from rat striatum using [3H]-CGS- 21680 as a radioligand.


J Med Chem 38: 1462-72 (1995)


Article DOI: 10.1021/jm00009a007
BindingDB Entry DOI: 10.7270/Q2R78FWX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50006730
PNG
((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...)
Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O
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)
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1.30n/an/an/an/an/an/an/an/a



Pharmakologisches Institut, Heidelberg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 337: 687-9 (1988)


BindingDB Entry DOI: 10.7270/Q2QC0216
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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1.30n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]PIA from adenosine A1 receptor of rat brain membranes


J Med Chem 31: 1179-83 (1988)


Article DOI: 10.1021/jm00401a018
BindingDB Entry DOI: 10.7270/Q2QC042G
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50085658
PNG
((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain using [3H]CHA as a radioligand.


J Med Chem 38: 1462-72 (1995)


Article DOI: 10.1021/jm00009a007
BindingDB Entry DOI: 10.7270/Q2R78FWX
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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1.30n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity against low affinity component of adenosine A1 receptors from rat brain membranes using [3H]-DPCPX


J Med Chem 35: 2363-8 (1992)


Article DOI: 10.1021/jm00091a003
BindingDB Entry DOI: 10.7270/Q2M9098M
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50085658
PNG
((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor assayed in a competition assay in rat brain using [3H]-CHA as radioligand


J Med Chem 37: 1720-6 (1994)


Article DOI: 10.1021/jm00037a024
BindingDB Entry DOI: 10.7270/Q2RX9CQ4
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50041906
PNG
(2-substituted NECA derivatives, 5 | 5-[6-Amino-2-(...)
Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CC(C)O
Show InChI InChI=1S/C16H20N6O5/c1-3-18-15(26)12-10(24)11(25)16(27-12)22-6-19-9-13(17)20-8(21-14(9)22)5-4-7(2)23/h6-7,10-12,16,23-25H,3H2,1-2H3,(H,18,26)(H2,17,20,21)
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1.5n/an/an/an/an/an/an/an/a



Universität Würzburg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)


Article DOI: 10.1016/j.bioorg.2015.09.004
BindingDB Entry DOI: 10.7270/Q2R20ZXT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50407524
PNG
(CHEMBL2113390)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)cc(Cl)nc12
Show InChI InChI=1S/C16H21ClN4O4/c17-11-5-9(19-8-3-1-2-4-8)12-15(20-11)21(7-18-12)16-14(24)13(23)10(6-22)25-16/h5,7-8,10,13-14,16,22-24H,1-4,6H2,(H,19,20)/t10-,13-,14-,16-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]PIA from adenosine A1 receptor of rat brain membranes


J Med Chem 31: 1179-83 (1988)


Article DOI: 10.1021/jm00401a018
BindingDB Entry DOI: 10.7270/Q2QC042G
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50454423
PNG
(CHEMBL2113528)
Show SMILES CCCC\C=C\c1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
Show InChI InChI=1S/C18H26N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h7-9,12-14,18,25-26H,3-6H2,1-2H3,(H,20,27)(H2,19,22,23)/b8-7+/t12-,13+,14-,18+/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS- 51680 from Adenosine A2A receptor of rat striatum.


J Med Chem 39: 4211-7 (1996)


Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50369097
PNG
(CHEMBL604851)
Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCc1ccccc1
Show InChI InChI=1S/C21H22N6O4/c1-2-23-20(30)17-15(28)16(29)21(31-17)27-11-24-14-18(22)25-13(26-19(14)27)10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11,15-17,21,28-29H,2,9H2,1H3,(H,23,30)(H2,22,25,26)/t15-,16+,17-,21?/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2a receptor from rat striatum using [3H]-CGS- 21680 as a radioligand.


J Med Chem 38: 1462-72 (1995)


Article DOI: 10.1021/jm00009a007
BindingDB Entry DOI: 10.7270/Q2R78FWX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50205704
PNG
(CHEMBL374462 | N6-methoxy-2-[(2-pyridinyl)ethynyl]...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccccn1
Show InChI InChI=1S/C20H21N7O5/c1-3-21-19(30)16-14(28)15(29)20(32-16)27-10-23-13-17(26-31-2)24-12(25-18(13)27)8-7-11-6-4-5-9-22-11/h4-6,9-10,14-16,20,28-29H,3H2,1-2H3,(H,21,30)(H,24,25,26)/t14-,15+,16-,20+/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 1222-30 (2007)


Article DOI: 10.1021/jm060963u
BindingDB Entry DOI: 10.7270/Q2JS9R75
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50205707
PNG
(CHEMBL223326 | N6-methoxy-2-[2-(1-hydroxycyclohexy...)
Show SMILES CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#CC1CCCCC1O
Show InChI InChI=1S/C19H25N5O6/c1-29-23-17-14-18(22-13(21-17)7-6-10-4-2-3-5-11(10)26)24(9-20-14)19-16(28)15(27)12(8-25)30-19/h9-12,15-16,19,25-28H,2-5,8H2,1H3,(H,21,22,23)/t10?,11?,12-,15-,16-,19-/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 1222-30 (2007)


Article DOI: 10.1021/jm060963u
BindingDB Entry DOI: 10.7270/Q2JS9R75
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50205717
PNG
((2S,3S,4R)-3,4-dihydroxy-5-((S)-2-iodo-6-methoxyam...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(I)nc12
Show InChI InChI=1S/C12H15IN6O5/c1-14-10(22)7-5(20)6(21)11(24-7)19-3-15-4-8(18-23-2)16-12(13)17-9(4)19/h3,5-7,11,20-21H,1-2H3,(H,14,22)(H,16,17,18)/t5-,6+,7-,11+/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 1222-30 (2007)


Article DOI: 10.1021/jm060963u
BindingDB Entry DOI: 10.7270/Q2JS9R75
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50205722
PNG
((2S,3S,4R,5R)-5-(2-((4-fluorophenyl)ethynyl)-6-(me...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccc(F)cc1
Show InChI InChI=1S/C20H19FN6O5/c1-22-19(30)16-14(28)15(29)20(32-16)27-9-23-13-17(26-31-2)24-12(25-18(13)27)8-5-10-3-6-11(21)7-4-10/h3-4,6-7,9,14-16,20,28-29H,1-2H3,(H,22,30)(H,24,25,26)/t14-,15+,16-,20+/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 1222-30 (2007)


Article DOI: 10.1021/jm060963u
BindingDB Entry DOI: 10.7270/Q2JS9R75
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50205710
PNG
((2S,3S,4R)-3,4-dihydroxy-5-((R)-6-methoxyamino-2-p...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccccc1
Show InChI InChI=1S/C20H20N6O5/c1-21-19(29)16-14(27)15(28)20(31-16)26-10-22-13-17(25-30-2)23-12(24-18(13)26)9-8-11-6-4-3-5-7-11/h3-7,10,14-16,20,27-28H,1-2H3,(H,21,29)(H,23,24,25)/t14-,15+,16-,20+/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 1222-30 (2007)


Article DOI: 10.1021/jm060963u
BindingDB Entry DOI: 10.7270/Q2JS9R75
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50208801
PNG
((2S,3S,4R,5R)-5-(6-amino-2-((S)-3-hydroxy-3-phenyl...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#C[C@@H](O)c1ccccc1
Show InChI InChI=1S/C21H22N6O5/c1-2-23-20(31)17-15(29)16(30)21(32-17)27-10-24-14-18(22)25-13(26-19(14)27)9-8-12(28)11-6-4-3-5-7-11/h3-7,10,12,15-17,21,28-30H,2H2,1H3,(H,23,31)(H2,22,25,26)/t12-,15+,16-,17+,21-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Universität Würzburg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)


Article DOI: 10.1016/j.bioorg.2015.09.004
BindingDB Entry DOI: 10.7270/Q2R20ZXT
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM85523
PNG
(6S, (S)-PHPNECA)
Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#C[C@H](O)c1ccccc1
Show InChI InChI=1S/C21H22N6O5/c1-2-23-20(31)17-15(29)16(30)21(32-17)27-10-24-14-18(22)25-13(26-19(14)27)9-8-12(28)11-6-4-3-5-7-11/h3-7,10,12,15-17,21,28-30H,2H2,1H3,(H,23,31)(H2,22,25,26)/t12-,15?,16?,17?,21?/m0/s1
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2n/an/an/an/an/an/an/an/a



Universität Würzburg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)


Article DOI: 10.1016/j.bioorg.2015.09.004
BindingDB Entry DOI: 10.7270/Q2R20ZXT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM85523
PNG
(6S, (S)-PHPNECA)
Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#C[C@H](O)c1ccccc1
Show InChI InChI=1S/C21H22N6O5/c1-2-23-20(31)17-15(29)16(30)21(32-17)27-10-24-14-18(22)25-13(26-19(14)27)9-8-12(28)11-6-4-3-5-7-11/h3-7,10,12,15-17,21,28-30H,2H2,1H3,(H,23,31)(H2,22,25,26)/t12-,15?,16?,17?,21?/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Universität Würzburg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)


Article DOI: 10.1016/j.bioorg.2015.09.004
BindingDB Entry DOI: 10.7270/Q2R20ZXT
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50119168
PNG
((2R,3R,4S,5R)-2-(6-Amino-2-hex-1-ynyl-purin-9-yl)-...)
Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H21N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,19,20)/t9-,12-,13-,16-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS- 51680 from Adenosine A2A receptor of rat striatum.


J Med Chem 39: 4211-7 (1996)


Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50453224
PNG
(2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (1...)
Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
Show InChI InChI=1S/C18H24N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h9,12-14,18,25-26H,3-6H2,1-2H3,(H,20,27)(H2,19,22,23)/t12-,13+,14-,18+/m0/s1
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2.20n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2a receptor from rat striatum using [3H]-CGS- 21680 as a radioligand.


J Med Chem 38: 1462-72 (1995)


Article DOI: 10.1021/jm00009a007
BindingDB Entry DOI: 10.7270/Q2R78FWX
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50453224
PNG
(2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (1...)
Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
Show InChI InChI=1S/C18H24N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h9,12-14,18,25-26H,3-6H2,1-2H3,(H,20,27)(H2,19,22,23)/t12-,13+,14-,18+/m0/s1
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2.20n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS- 51680 from Adenosine A2A receptor of rat striatum.


J Med Chem 39: 4211-7 (1996)


Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50004461
PNG
((2S,3R,5R)-5-[6-amino-2-(hex-1-yn-1-yl)-9H-purin-9...)
Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H]([C@H](O)C3O)C(=O)NCC)c2n1
Show InChI InChI=1S/C18H24N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h9,12-14,18,25-26H,3-6H2,1-2H3,(H,20,27)(H2,19,22,23)/t12-,13?,14+,18-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



Università di Camerino

Curated by PDSP Ki Database




Bioorg Med Chem 5: 2267-75 (1997)


Article DOI: 10.1111/cbdd.12539
BindingDB Entry DOI: 10.7270/Q24Q7SJF
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50205697
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(methoxyamino...)
Show SMILES CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccccn1
Show InChI InChI=1S/C18H18N6O5/c1-28-23-16-13-17(22-12(21-16)6-5-10-4-2-3-7-19-10)24(9-20-13)18-15(27)14(26)11(8-25)29-18/h2-4,7,9,11,14-15,18,25-27H,8H2,1H3,(H,21,22,23)/t11-,14-,15-,18-/m1/s1
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2.30n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 1222-30 (2007)


Article DOI: 10.1021/jm060963u
BindingDB Entry DOI: 10.7270/Q2JS9R75
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50004461
PNG
((2S,3R,5R)-5-[6-amino-2-(hex-1-yn-1-yl)-9H-purin-9...)
Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H]([C@H](O)C3O)C(=O)NCC)c2n1
Show InChI InChI=1S/C18H24N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h9,12-14,18,25-26H,3-6H2,1-2H3,(H,20,27)(H2,19,22,23)/t12-,13?,14+,18-/m1/s1
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2.40n/an/an/an/an/an/an/an/a



Universität Würzburg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)


Article DOI: 10.1016/j.bioorg.2015.09.004
BindingDB Entry DOI: 10.7270/Q2R20ZXT
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50041912
PNG
(2-substituted NECA derivatives, 7 | 5-[6-Amino-2-(...)
Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CC(C)(O)c1ccccc1
Show InChI InChI=1S/C22H24N6O5/c1-3-24-20(31)17-15(29)16(30)21(33-17)28-11-25-14-18(23)26-13(27-19(14)28)9-10-22(2,32)12-7-5-4-6-8-12/h4-8,11,15-17,21,29-30,32H,3H2,1-2H3,(H,24,31)(H2,23,26,27)
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2.40n/an/an/an/an/an/an/an/a



Universität Würzburg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)


Article DOI: 10.1016/j.bioorg.2015.09.004
BindingDB Entry DOI: 10.7270/Q2R20ZXT
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50009263
PNG
((2S,3S,4R,5R)-5-(6-amino-2-(hex-1-ynyl)-9H-purin-9...)
Show SMILES CC(C)(C)OC(=O)C1CCCN1CC(O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C31H42N4O7/c1-31(2,3)42-29(39)25-15-10-16-35(25)19-26(36)23(17-21-11-6-4-7-12-21)33-28(38)24(18-27(32)37)34-30(40)41-20-22-13-8-5-9-14-22/h4-9,11-14,23-26,36H,10,15-20H2,1-3H3,(H2,32,37)(H,33,38)(H,34,40)/t23-,24-,25?,26?/m0/s1
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2.40n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity against Human recombinant Adenosine A3 receptor stably transfected in CHO cells using [3H]NECA as radioligand


J Med Chem 45: 3271-9 (2002)


Article DOI: 10.1021/jm0109762
BindingDB Entry DOI: 10.7270/Q2XW4KJP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50041905
PNG
(5-[6-Amino-2-(3-hydroxy-3-phenyl-prop-1-ynyl)-puri...)
Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CC(O)c1ccccc1
Show InChI InChI=1S/C21H22N6O5/c1-2-23-20(31)17-15(29)16(30)21(32-17)27-10-24-14-18(22)25-13(26-19(14)27)9-8-12(28)11-6-4-3-5-7-11/h3-7,10,12,15-17,21,28-30H,2H2,1H3,(H,23,31)(H2,22,25,26)
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2.5n/an/an/an/an/an/an/an/a



Università di Camerino

Curated by PDSP Ki Database




Bioorg Med Chem 5: 2267-75 (1997)


Article DOI: 10.1111/cbdd.12539
BindingDB Entry DOI: 10.7270/Q24Q7SJF
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50205714
PNG
(2-[(4-acetylphenyl)ethynyl]-N6-methoxy-5'-N-methyl...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccc(cc1)C(C)=O
Show InChI InChI=1S/C22H22N6O6/c1-11(29)13-7-4-12(5-8-13)6-9-14-25-19(27-33-3)15-20(26-14)28(10-24-15)22-17(31)16(30)18(34-22)21(32)23-2/h4-5,7-8,10,16-18,22,30-31H,1-3H3,(H,23,32)(H,25,26,27)/t16-,17+,18-,22+/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 1222-30 (2007)


Article DOI: 10.1021/jm060963u
BindingDB Entry DOI: 10.7270/Q2JS9R75
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453347
PNG
(CHEMBL2094083)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CC(O)c1ccccc1
Show InChI InChI=1S/C21H22N6O5/c1-2-23-20(31)17-15(29)16(30)21(32-17)27-10-24-14-18(22)25-13(26-19(14)27)9-8-12(28)11-6-4-3-5-7-11/h3-7,10,12,15-17,21,28-30H,2H2,1H3,(H,23,31)(H2,22,25,26)/t12?,15-,16+,17-,21+/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor assayed in a competition assay in rat brain using [3H]-CHA as radioligand


J Med Chem 37: 1720-6 (1994)


Article DOI: 10.1021/jm00037a024
BindingDB Entry DOI: 10.7270/Q2RX9CQ4
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50115630
PNG
((2S,3R,4S)-5-[6-amino-2-(3-hydroxy-3-phenylprop-1-...)
Show SMILES CCNC(=O)[C@H]1OC([C@@H](O)[C@H]1O)n1cnc2c(N)nc(nc12)C#CC(O)c1ccccc1
Show InChI InChI=1S/C21H22N6O5/c1-2-23-20(31)17-15(29)16(30)21(32-17)27-10-24-14-18(22)25-13(26-19(14)27)9-8-12(28)11-6-4-3-5-7-11/h3-7,10,12,15-17,21,28-30H,2H2,1H3,(H,23,31)(H2,22,25,26)/t12?,15-,16+,17+,21?/m1/s1
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2.60n/an/an/an/an/an/an/an/a



Università di Camerino

Curated by PDSP Ki Database




Bioorg Med Chem 5: 2267-75 (1997)


Article DOI: 10.1111/cbdd.12539
BindingDB Entry DOI: 10.7270/Q24Q7SJF
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50041905
PNG
(5-[6-Amino-2-(3-hydroxy-3-phenyl-prop-1-ynyl)-puri...)
Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CC(O)c1ccccc1
Show InChI InChI=1S/C21H22N6O5/c1-2-23-20(31)17-15(29)16(30)21(32-17)27-10-24-14-18(22)25-13(26-19(14)27)9-8-12(28)11-6-4-3-5-7-11/h3-7,10,12,15-17,21,28-30H,2H2,1H3,(H,23,31)(H2,22,25,26)
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2.70n/an/an/an/an/an/an/an/a



Universität Würzburg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)


Article DOI: 10.1016/j.bioorg.2015.09.004
BindingDB Entry DOI: 10.7270/Q2R20ZXT
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50205719
PNG
(2-(hex-1-ynyl)-N6-methoxyadenosine | CHEMBL220889)
Show SMILES CCCCC#Cc1nc(NOC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C17H23N5O5/c1-3-4-5-6-7-11-19-15(21-26-2)12-16(20-11)22(9-18-12)17-14(25)13(24)10(8-23)27-17/h9-10,13-14,17,23-25H,3-5,8H2,1-2H3,(H,19,20,21)/t10-,13-,14-,17-/m1/s1
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2.80n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells


J Med Chem 50: 1222-30 (2007)


Article DOI: 10.1021/jm060963u
BindingDB Entry DOI: 10.7270/Q2JS9R75
More data for this
Ligand-Target Pair
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