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Compile Data Set for Download or QSAR

Found 973 hits with Last Name = 'pu' and Initial = 'q'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50453539
PNG
(CHEMBL2113613)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C19H21IN6O4/c1-2-21-18(29)15-13(27)14(28)19(30-15)26-9-25-12-16(23-8-24-17(12)26)22-7-10-4-3-5-11(20)6-10/h3-6,8-9,13-15,19,27-28H,2,7H2,1H3,(H,21,29)(H,22,23,24)/t13-,14+,15-,19+/m0/s1
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0.880n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat A3-adenosine receptor by the displacement of specific [125I]APNEA or [125I]-N6-(4-amino-3-iodobenzyl)-adenosine-...


J Med Chem 37: 636-46 (1994)


Article DOI: 10.1021/jm00031a014
BindingDB Entry DOI: 10.7270/Q2057GJZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50453546
PNG
(CHEMBL2113565)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)ncnc12
Show InChI InChI=1S/C19H21ClN6O4/c1-2-21-18(29)15-13(27)14(28)19(30-15)26-9-25-12-16(23-8-24-17(12)26)22-7-10-4-3-5-11(20)6-10/h3-6,8-9,13-15,19,27-28H,2,7H2,1H3,(H,21,29)(H,22,23,24)/t13-,14+,15-,19+/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 for recombinant rat A3-adenosine receptor by the displacement of specific [125I]APNEA or [125I]-N6-(4-amino-3-iodobenzyl)-adenosine-...


J Med Chem 37: 636-46 (1994)


Article DOI: 10.1021/jm00031a014
BindingDB Entry DOI: 10.7270/Q2057GJZ
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 for rat A3-adenosine receptor expressed in chinese hamster ovarian cells (assayed by the displacement of specific [125I]-N6-(4-amino...


J Med Chem 37: 636-46 (1994)


Article DOI: 10.1021/jm00031a014
BindingDB Entry DOI: 10.7270/Q2057GJZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50453529
PNG
(CHEMBL2113567)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(C)c3)ncnc12
Show InChI InChI=1S/C20H24N6O4/c1-3-21-19(29)16-14(27)15(28)20(30-16)26-10-25-13-17(23-9-24-18(13)26)22-8-12-6-4-5-11(2)7-12/h4-7,9-10,14-16,20,27-28H,3,8H2,1-2H3,(H,21,29)(H,22,23,24)/t14-,15+,16-,20+/m0/s1
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1.20n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat A3-adenosine receptor by the displacement of specific [125I]APNEA or [125I]-N6-(4-amino-3-iodobenzyl)-adenosine-...


J Med Chem 37: 636-46 (1994)


Article DOI: 10.1021/jm00031a014
BindingDB Entry DOI: 10.7270/Q2057GJZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50106543
PNG
(5-[6-(4-Amino-3-iodo-benzylamino)-purin-9-yl]-3,4-...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(N)c(I)c3)ncnc12
Show InChI InChI=1S/C18H20IN7O4/c1-21-17(29)14-12(27)13(28)18(30-14)26-7-25-11-15(23-6-24-16(11)26)22-5-8-2-3-10(20)9(19)4-8/h2-4,6-7,12-14,18,27-28H,5,20H2,1H3,(H,21,29)(H,22,23,24)/t12-,13+,14-,18+/m0/s1
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1.30n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for rat A3-adenosine receptor expressed in chinese hamster ovarian cells (assayed by the displacement of specific [125I]-N6-(4-amino...


J Med Chem 37: 636-46 (1994)


Article DOI: 10.1021/jm00031a014
BindingDB Entry DOI: 10.7270/Q2057GJZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50453532
PNG
(CHEMBL2113620)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Br)c3)ncnc12
Show InChI InChI=1S/C18H19BrN6O4/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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1.90n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for rat A3-adenosine receptor expressed in chinese hamster ovarian cells (assayed by the displacement of specific [125I]-N6-(4-amino...


J Med Chem 37: 636-46 (1994)


Article DOI: 10.1021/jm00031a014
BindingDB Entry DOI: 10.7270/Q2057GJZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50453543
PNG
(CHEMBL2113570)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3[N+]([O-])=O)ncnc12
Show InChI InChI=1S/C19H21N7O6/c1-2-20-18(29)15-13(27)14(28)19(32-15)25-9-24-12-16(22-8-23-17(12)25)21-7-10-5-3-4-6-11(10)26(30)31/h3-6,8-9,13-15,19,27-28H,2,7H2,1H3,(H,20,29)(H,21,22,23)/t13-,14+,15-,19+/m0/s1
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2.80n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat A3-adenosine receptor by the displacement of specific [125I]APNEA or [125I]-N6-(4-amino-3-iodobenzyl)-adenosine-...


J Med Chem 37: 636-46 (1994)


Article DOI: 10.1021/jm00031a014
BindingDB Entry DOI: 10.7270/Q2057GJZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50368979
PNG
(CHEMBL610426)
Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Br)c3)ncnc12
Show InChI InChI=1S/C19H21BrN6O4/c1-2-21-18(29)15-13(27)14(28)19(30-15)26-9-25-12-16(23-8-24-17(12)26)22-7-10-4-3-5-11(20)6-10/h3-6,8-9,13-15,19,27-28H,2,7H2,1H3,(H,21,29)(H,22,23,24)/t13-,14+,15-,19?/m0/s1
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2.80n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for rat A3-adenosine receptor expressed in chinese hamster ovarian cells (assayed by the displacement of specific [125I]-N6-(4-amino...


J Med Chem 37: 636-46 (1994)


Article DOI: 10.1021/jm00031a014
BindingDB Entry DOI: 10.7270/Q2057GJZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453531
PNG
(CHEMBL2113639)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H](C)c3ccccc3)ncnc12
Show InChI InChI=1S/C20H24N6O4/c1-3-21-19(29)16-14(27)15(28)20(30-16)26-10-24-13-17(22-9-23-18(13)26)25-11(2)12-7-5-4-6-8-12/h4-11,14-16,20,27-28H,3H2,1-2H3,(H,21,29)(H,22,23,25)/t11-,14+,15-,16+,20-/m1/s1
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3.20n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for A1-adenosine receptor by the displacement of specific [3H]-PIA binding in rat brain was determined


J Med Chem 37: 636-46 (1994)


Article DOI: 10.1021/jm00031a014
BindingDB Entry DOI: 10.7270/Q2057GJZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50453541
PNG
(CHEMBL2113611)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(OC)c3)ncnc12
Show InChI InChI=1S/C20H24N6O5/c1-3-21-19(29)16-14(27)15(28)20(31-16)26-10-25-13-17(23-9-24-18(13)26)22-8-11-5-4-6-12(7-11)30-2/h4-7,9-10,14-16,20,27-28H,3,8H2,1-2H3,(H,21,29)(H,22,23,24)/t14-,15+,16-,20+/m0/s1
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4.30n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat A3-adenosine receptor by the displacement of specific [125I]APNEA or [125I]-N6-(4-amino-3-iodobenzyl)-adenosine-...


J Med Chem 37: 636-46 (1994)


Article DOI: 10.1021/jm00031a014
BindingDB Entry DOI: 10.7270/Q2057GJZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
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6.30n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for A1-adenosine receptor by the displacement of specific [3H]-PIA binding in rat brain was determined


J Med Chem 37: 636-46 (1994)


Article DOI: 10.1021/jm00031a014
BindingDB Entry DOI: 10.7270/Q2057GJZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50389797
PNG
(CHEMBL261482)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1
Show InChI InChI=1S/C13H16N6O4/c14-10-6-11(16-3-15-10)19(4-17-6)13-8(21)7(20)9(23-13)12(22)18-5-1-2-5/h3-5,7-9,13,20-21H,1-2H2,(H,18,22)(H2,14,15,16)/t7-,8+,9-,13+/m0/s1
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6.40n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for A1-adenosine receptor by the displacement of specific [3H]-PIA binding in rat brain was determined


J Med Chem 37: 636-46 (1994)


Article DOI: 10.1021/jm00031a014
BindingDB Entry DOI: 10.7270/Q2057GJZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50453537
PNG
(CHEMBL2113614)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12
Show InChI InChI=1S/C19H22N6O4/c1-2-20-18(28)15-13(26)14(27)19(29-15)25-10-24-12-16(22-9-23-17(12)25)21-8-11-6-4-3-5-7-11/h3-7,9-10,13-15,19,26-27H,2,8H2,1H3,(H,20,28)(H,21,22,23)/t13-,14+,15-,19+/m0/s1
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6.80n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat A3-adenosine receptor by the displacement of specific [125I]APNEA or [125I]-N6-(4-amino-3-iodobenzyl)-adenosine-...


J Med Chem 37: 636-46 (1994)


Article DOI: 10.1021/jm00031a014
BindingDB Entry DOI: 10.7270/Q2057GJZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50453538
PNG
(CHEMBL2113612)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3OC)ncnc12
Show InChI InChI=1S/C20H24N6O5/c1-3-21-19(29)16-14(27)15(28)20(31-16)26-10-25-13-17(23-9-24-18(13)26)22-8-11-6-4-5-7-12(11)30-2/h4-7,9-10,14-16,20,27-28H,3,8H2,1-2H3,(H,21,29)(H,22,23,24)/t14-,15+,16-,20+/m0/s1
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7.10n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat A3-adenosine receptor by the displacement of specific [125I]APNEA or [125I]-N6-(4-amino-3-iodobenzyl)-adenosine-...


J Med Chem 37: 636-46 (1994)


Article DOI: 10.1021/jm00031a014
BindingDB Entry DOI: 10.7270/Q2057GJZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453539
PNG
(CHEMBL2113613)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C19H21IN6O4/c1-2-21-18(29)15-13(27)14(28)19(30-15)26-9-25-12-16(23-8-24-17(12)26)22-7-10-4-3-5-11(20)6-10/h3-6,8-9,13-15,19,27-28H,2,7H2,1H3,(H,21,29)(H,22,23,24)/t13-,14+,15-,19+/m0/s1
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7.70n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for A1-adenosine receptor by the displacement of specific [3H]-PIA binding in rat brain was determined


J Med Chem 37: 636-46 (1994)


Article DOI: 10.1021/jm00031a014
BindingDB Entry DOI: 10.7270/Q2057GJZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50453544
PNG
(CHEMBL2113638)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(c3)[N+]([O-])=O)ncnc12
Show InChI InChI=1S/C19H21N7O6/c1-2-20-18(29)15-13(27)14(28)19(32-15)25-9-24-12-16(22-8-23-17(12)25)21-7-10-4-3-5-11(6-10)26(30)31/h3-6,8-9,13-15,19,27-28H,2,7H2,1H3,(H,20,29)(H,21,22,23)/t13-,14+,15-,19+/m0/s1
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8.70n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat A3-adenosine receptor by the displacement of specific [125I]APNEA or [125I]-N6-(4-amino-3-iodobenzyl)-adenosine-...


J Med Chem 37: 636-46 (1994)


Article DOI: 10.1021/jm00031a014
BindingDB Entry DOI: 10.7270/Q2057GJZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50453542
PNG
(CHEMBL2113571)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(cc3)[N+]([O-])=O)ncnc12
Show InChI InChI=1S/C19H21N7O6/c1-2-20-18(29)15-13(27)14(28)19(32-15)25-9-24-12-16(22-8-23-17(12)25)21-7-10-3-5-11(6-4-10)26(30)31/h3-6,8-9,13-15,19,27-28H,2,7H2,1H3,(H,20,29)(H,21,22,23)/t13-,14+,15-,19+/m0/s1
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9n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat A3-adenosine receptor by the displacement of specific [125I]APNEA or [125I]-N6-(4-amino-3-iodobenzyl)-adenosine-...


J Med Chem 37: 636-46 (1994)


Article DOI: 10.1021/jm00031a014
BindingDB Entry DOI: 10.7270/Q2057GJZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50453533
PNG
(CHEMBL1256785)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(C)c3)ncnc12
Show InChI InChI=1S/C19H22N6O4/c1-10-4-3-5-11(6-10)7-21-16-12-17(23-8-22-16)25(9-24-12)19-14(27)13(26)15(29-19)18(28)20-2/h3-6,8-9,13-15,19,26-27H,7H2,1-2H3,(H,20,28)(H,21,22,23)/t13-,14+,15-,19+/m0/s1
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10n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for rat A3-adenosine receptor expressed in chinese hamster ovarian cells (assayed by the displacement of specific [125I]-N6-(4-amino...


J Med Chem 37: 636-46 (1994)


Article DOI: 10.1021/jm00031a014
BindingDB Entry DOI: 10.7270/Q2057GJZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50368979
PNG
(CHEMBL610426)
Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Br)c3)ncnc12
Show InChI InChI=1S/C19H21BrN6O4/c1-2-21-18(29)15-13(27)14(28)19(30-15)26-9-25-12-16(23-8-24-17(12)26)22-7-10-4-3-5-11(20)6-10/h3-6,8-9,13-15,19,27-28H,2,7H2,1H3,(H,21,29)(H,22,23,24)/t13-,14+,15-,19?/m0/s1
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11n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for A1-adenosine receptor by the displacement of specific [3H]-PIA binding in rat brain was determined


J Med Chem 37: 636-46 (1994)


Article DOI: 10.1021/jm00031a014
BindingDB Entry DOI: 10.7270/Q2057GJZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50453540
PNG
(CHEMBL2113610)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(OC)cc3)ncnc12
Show InChI InChI=1S/C20H24N6O5/c1-3-21-19(29)16-14(27)15(28)20(31-16)26-10-25-13-17(23-9-24-18(13)26)22-8-11-4-6-12(30-2)7-5-11/h4-7,9-10,14-16,20,27-28H,3,8H2,1-2H3,(H,21,29)(H,22,23,24)/t14-,15+,16-,20+/m0/s1
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11n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat A3-adenosine receptor by the displacement of specific [125I]APNEA or [125I]-N6-(4-amino-3-iodobenzyl)-adenosine-...


J Med Chem 37: 636-46 (1994)


Article DOI: 10.1021/jm00031a014
BindingDB Entry DOI: 10.7270/Q2057GJZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50453534
PNG
(CHEMBL2113569)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(F)c3)ncnc12
Show InChI InChI=1S/C19H21FN6O4/c1-2-21-18(29)15-13(27)14(28)19(30-15)26-9-25-12-16(23-8-24-17(12)26)22-7-10-4-3-5-11(20)6-10/h3-6,8-9,13-15,19,27-28H,2,7H2,1H3,(H,21,29)(H,22,23,24)/t13-,14+,15-,19+/m0/s1
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11n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat A3-adenosine receptor by the displacement of specific [125I]APNEA or [125I]-N6-(4-amino-3-iodobenzyl)-adenosine-...


J Med Chem 37: 636-46 (1994)


Article DOI: 10.1021/jm00031a014
BindingDB Entry DOI: 10.7270/Q2057GJZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50368988
PNG
(CHEMBL609642)
Show SMILES CNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(Br)cc3)ncnc12
Show InChI InChI=1S/C18H19BrN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-2-4-10(19)5-3-9/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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12n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for rat A3-adenosine receptor expressed in chinese hamster ovarian cells (assayed by the displacement of specific [125I]-N6-(4-amino...


J Med Chem 37: 636-46 (1994)


Article DOI: 10.1021/jm00031a014
BindingDB Entry DOI: 10.7270/Q2057GJZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM21242
PNG
((2S,3S,4R,5R)-5-(6-{[(4-aminophenyl)methyl]amino}-...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(N)cc3)ncnc12
Show InChI InChI=1S/C18H21N7O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-2-4-10(19)5-3-9/h2-5,7-8,12-14,18,26-27H,6,19H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1
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14n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for rat A3-adenosine receptor expressed in chinese hamster ovarian cells (assayed by the displacement of specific [125I]-N6-(4-amino...


J Med Chem 37: 636-46 (1994)


Article DOI: 10.1021/jm00031a014
BindingDB Entry DOI: 10.7270/Q2057GJZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50070863
PNG
((2S,3S,4R,5R)-5-(6-Benzylamino-purin-9-yl)-3,4-dih...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12
Show InChI InChI=1S/C18H20N6O4/c1-19-17(27)14-12(25)13(26)18(28-14)24-9-23-11-15(21-8-22-16(11)24)20-7-10-5-3-2-4-6-10/h2-6,8-9,12-14,18,25-26H,7H2,1H3,(H,19,27)(H,20,21,22)/t12-,13+,14-,18+/m0/s1
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16n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat A3-adenosine receptor by the displacement of specific [125I]APNEA or [125I]-N6-(4-amino-3-iodobenzyl)-adenosine-...


J Med Chem 37: 636-46 (1994)


Article DOI: 10.1021/jm00031a014
BindingDB Entry DOI: 10.7270/Q2057GJZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50368959
PNG
(CHEMBL609923)
Show SMILES CNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(Cl)cc3)ncnc12
Show InChI InChI=1S/C18H19ClN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-2-4-10(19)5-3-9/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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17n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for rat A3-adenosine receptor expressed in chinese hamster ovarian cells (assayed by the displacement of specific [125I]-N6-(4-amino...


J Med Chem 37: 636-46 (1994)


Article DOI: 10.1021/jm00031a014
BindingDB Entry DOI: 10.7270/Q2057GJZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50106543
PNG
(5-[6-(4-Amino-3-iodo-benzylamino)-purin-9-yl]-3,4-...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(N)c(I)c3)ncnc12
Show InChI InChI=1S/C18H20IN7O4/c1-21-17(29)14-12(27)13(28)18(30-14)26-7-25-11-15(23-6-24-16(11)26)22-5-8-2-3-10(20)9(19)4-8/h2-4,6-7,12-14,18,27-28H,5,20H2,1H3,(H,21,29)(H,22,23,24)/t12-,13+,14-,18+/m0/s1
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18n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for A1-adenosine receptor by the displacement of specific [3H]-PIA binding in rat brain was determined


J Med Chem 37: 636-46 (1994)


Article DOI: 10.1021/jm00031a014
BindingDB Entry DOI: 10.7270/Q2057GJZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50453531
PNG
(CHEMBL2113639)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H](C)c3ccccc3)ncnc12
Show InChI InChI=1S/C20H24N6O4/c1-3-21-19(29)16-14(27)15(28)20(30-16)26-10-24-13-17(22-9-23-18(13)26)25-11(2)12-7-5-4-6-8-12/h4-11,14-16,20,27-28H,3H2,1-2H3,(H,21,29)(H,22,23,25)/t11-,14+,15-,16+,20-/m1/s1
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18n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for rat A3-adenosine receptor expressed in chinese hamster ovarian cells (assayed by the displacement of specific [125I]-N6-(4-amino...


J Med Chem 37: 636-46 (1994)


Article DOI: 10.1021/jm00031a014
BindingDB Entry DOI: 10.7270/Q2057GJZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50368958
PNG
(CHEMBL610143)
Show SMILES CNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(c3)[N+]([O-])=O)ncnc12
Show InChI InChI=1S/C18H19N7O6/c1-19-17(28)14-12(26)13(27)18(31-14)24-8-23-11-15(21-7-22-16(11)24)20-6-9-3-2-4-10(5-9)25(29)30/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,19,28)(H,20,21,22)/t12-,13+,14-,18?/m0/s1
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19n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for rat A3-adenosine receptor expressed in chinese hamster ovarian cells (assayed by the displacement of specific [125I]-N6-(4-amino...


J Med Chem 37: 636-46 (1994)


Article DOI: 10.1021/jm00031a014
BindingDB Entry DOI: 10.7270/Q2057GJZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50453536
PNG
(CHEMBL2113617)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)ncnc12
Show InChI InChI=1S/C18H19ClN6O4/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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22n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat A3-adenosine receptor by the displacement of specific [125I]APNEA or [125I]-N6-(4-amino-3-iodobenzyl)-adenosine-...


J Med Chem 37: 636-46 (1994)


Article DOI: 10.1021/jm00031a014
BindingDB Entry DOI: 10.7270/Q2057GJZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453546
PNG
(CHEMBL2113565)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)ncnc12
Show InChI InChI=1S/C19H21ClN6O4/c1-2-21-18(29)15-13(27)14(28)19(30-15)26-9-25-12-16(23-8-24-17(12)26)22-7-10-4-3-5-11(20)6-10/h3-6,8-9,13-15,19,27-28H,2,7H2,1H3,(H,21,29)(H,22,23,24)/t13-,14+,15-,19+/m0/s1
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22n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for A1-adenosine receptor by the displacement of specific [3H]-PIA binding in rat brain was determined


J Med Chem 37: 636-46 (1994)


Article DOI: 10.1021/jm00031a014
BindingDB Entry DOI: 10.7270/Q2057GJZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50368967
PNG
(CHEMBL609639)
Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c1ncn(Cc1ccccc1[N+]([O-])=O)c2=[NH2+]
Show InChI InChI=1S/C19H21N7O6/c1-2-21-18(29)15-13(27)14(28)19(32-15)25-9-22-12-16(20)24(8-23-17(12)25)7-10-5-3-4-6-11(10)26(30)31/h3-6,8-9,13-15,19-20,27-28H,2,7H2,1H3,(H,21,29)/p+1
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27n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat A3-adenosine receptor by the displacement of specific [125I]APNEA or [125I]-N6-(4-amino-3-iodobenzyl)-adenosine-...


J Med Chem 37: 636-46 (1994)


Article DOI: 10.1021/jm00031a014
BindingDB Entry DOI: 10.7270/Q2057GJZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50368968
PNG
(CHEMBL609830)
Show SMILES CNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(N)c3)ncnc12
Show InChI InChI=1S/C18H21N7O4/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,6,19H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18?/m0/s1
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28n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for rat A3-adenosine receptor expressed in chinese hamster ovarian cells (assayed by the displacement of specific [125I]-N6-(4-amino...


J Med Chem 37: 636-46 (1994)


Article DOI: 10.1021/jm00031a014
BindingDB Entry DOI: 10.7270/Q2057GJZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50368964
PNG
(CHEMBL608762)
Show SMILES CNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(c3)C(F)(F)F)ncnc12
Show InChI InChI=1S/C19H19F3N6O4/c1-23-17(31)14-12(29)13(30)18(32-14)28-8-27-11-15(25-7-26-16(11)28)24-6-9-3-2-4-10(5-9)19(20,21)22/h2-5,7-8,12-14,18,29-30H,6H2,1H3,(H,23,31)(H,24,25,26)/t12-,13+,14-,18?/m0/s1
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31n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for rat A3-adenosine receptor expressed in chinese hamster ovarian cells (assayed by the displacement of specific [125I]-N6-(4-amino...


J Med Chem 37: 636-46 (1994)


Article DOI: 10.1021/jm00031a014
BindingDB Entry DOI: 10.7270/Q2057GJZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453543
PNG
(CHEMBL2113570)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3[N+]([O-])=O)ncnc12
Show InChI InChI=1S/C19H21N7O6/c1-2-20-18(29)15-13(27)14(28)19(32-15)25-9-24-12-16(22-8-23-17(12)25)21-7-10-5-3-4-6-11(10)26(30)31/h3-6,8-9,13-15,19,27-28H,2,7H2,1H3,(H,20,29)(H,21,22,23)/t13-,14+,15-,19+/m0/s1
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31n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for A1-adenosine receptor by the displacement of specific [3H]-PIA binding in rat brain was determined


J Med Chem 37: 636-46 (1994)


Article DOI: 10.1021/jm00031a014
BindingDB Entry DOI: 10.7270/Q2057GJZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453529
PNG
(CHEMBL2113567)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(C)c3)ncnc12
Show InChI InChI=1S/C20H24N6O4/c1-3-21-19(29)16-14(27)15(28)20(30-16)26-10-25-13-17(23-9-24-18(13)26)22-8-12-6-4-5-11(2)7-12/h4-7,9-10,14-16,20,27-28H,3,8H2,1-2H3,(H,21,29)(H,22,23,24)/t14-,15+,16-,20+/m0/s1
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37n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for A1-adenosine receptor by the displacement of specific [3H]-PIA binding in rat brain was determined


J Med Chem 37: 636-46 (1994)


Article DOI: 10.1021/jm00031a014
BindingDB Entry DOI: 10.7270/Q2057GJZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50368962
PNG
(CHEMBL610996)
Show SMILES CNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(NC(C)=O)c3)ncnc12
Show InChI InChI=1S/C20H23N7O5/c1-10(28)26-12-5-3-4-11(6-12)7-22-17-13-18(24-8-23-17)27(9-25-13)20-15(30)14(29)16(32-20)19(31)21-2/h3-6,8-9,14-16,20,29-30H,7H2,1-2H3,(H,21,31)(H,26,28)(H,22,23,24)/t14-,15+,16-,20?/m0/s1
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41n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for rat A3-adenosine receptor expressed in chinese hamster ovarian cells (assayed by the displacement of specific [125I]-N6-(4-amino...


J Med Chem 37: 636-46 (1994)


Article DOI: 10.1021/jm00031a014
BindingDB Entry DOI: 10.7270/Q2057GJZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453542
PNG
(CHEMBL2113571)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(cc3)[N+]([O-])=O)ncnc12
Show InChI InChI=1S/C19H21N7O6/c1-2-20-18(29)15-13(27)14(28)19(32-15)25-9-24-12-16(22-8-23-17(12)25)21-7-10-3-5-11(6-4-10)26(30)31/h3-6,8-9,13-15,19,27-28H,2,7H2,1H3,(H,20,29)(H,21,22,23)/t13-,14+,15-,19+/m0/s1
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49n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for A1-adenosine receptor by the displacement of specific [3H]-PIA binding in rat brain was determined


J Med Chem 37: 636-46 (1994)


Article DOI: 10.1021/jm00031a014
BindingDB Entry DOI: 10.7270/Q2057GJZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453534
PNG
(CHEMBL2113569)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(F)c3)ncnc12
Show InChI InChI=1S/C19H21FN6O4/c1-2-21-18(29)15-13(27)14(28)19(30-15)26-9-25-12-16(23-8-24-17(12)26)22-7-10-4-3-5-11(20)6-10/h3-6,8-9,13-15,19,27-28H,2,7H2,1H3,(H,21,29)(H,22,23,24)/t13-,14+,15-,19+/m0/s1
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51n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for A1-adenosine receptor by the displacement of specific [3H]-PIA binding in rat brain was determined


J Med Chem 37: 636-46 (1994)


Article DOI: 10.1021/jm00031a014
BindingDB Entry DOI: 10.7270/Q2057GJZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453538
PNG
(CHEMBL2113612)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3OC)ncnc12
Show InChI InChI=1S/C20H24N6O5/c1-3-21-19(29)16-14(27)15(28)20(31-16)26-10-25-13-17(23-9-24-18(13)26)22-8-11-6-4-5-7-12(11)30-2/h4-7,9-10,14-16,20,27-28H,3,8H2,1-2H3,(H,21,29)(H,22,23,24)/t14-,15+,16-,20+/m0/s1
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52n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for A1-adenosine receptor by the displacement of specific [3H]-PIA binding in rat brain was determined


J Med Chem 37: 636-46 (1994)


Article DOI: 10.1021/jm00031a014
BindingDB Entry DOI: 10.7270/Q2057GJZ
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 for A1-adenosine receptor by the displacement of specific [3H]-PIA binding in rat brain was determined


J Med Chem 37: 636-46 (1994)


Article DOI: 10.1021/jm00031a014
BindingDB Entry DOI: 10.7270/Q2057GJZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50368983
PNG
(CHEMBL609922)
Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c1ncn(Cc1ccc(cc1)[N+]([O-])=O)c2=[NH2+]
Show InChI InChI=1S/C19H21N7O6/c1-2-21-18(29)15-13(27)14(28)19(32-15)25-9-22-12-16(20)24(8-23-17(12)25)7-10-3-5-11(6-4-10)26(30)31/h3-6,8-9,13-15,19-20,27-28H,2,7H2,1H3,(H,21,29)/p+1
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60n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat A3-adenosine receptor by the displacement of specific [125I]APNEA or [125I]-N6-(4-amino-3-iodobenzyl)-adenosine-...


J Med Chem 37: 636-46 (1994)


Article DOI: 10.1021/jm00031a014
BindingDB Entry DOI: 10.7270/Q2057GJZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453532
PNG
(CHEMBL2113620)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Br)c3)ncnc12
Show InChI InChI=1S/C18H19BrN6O4/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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65n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for A1-adenosine receptor by the displacement of specific [3H]-PIA binding in rat brain was determined


J Med Chem 37: 636-46 (1994)


Article DOI: 10.1021/jm00031a014
BindingDB Entry DOI: 10.7270/Q2057GJZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50368976
PNG
(CHEMBL608653)
Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H](C)c3ccccc3)ncnc12
Show InChI InChI=1S/C20H24N6O4/c1-3-21-19(29)16-14(27)15(28)20(30-16)26-10-24-13-17(22-9-23-18(13)26)25-11(2)12-7-5-4-6-8-12/h4-11,14-16,20,27-28H,3H2,1-2H3,(H,21,29)(H,22,23,25)/t11-,14-,15+,16-,20?/m0/s1
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65n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for A1-adenosine receptor by the displacement of specific [3H]-PIA binding in rat brain was determined


J Med Chem 37: 636-46 (1994)


Article DOI: 10.1021/jm00031a014
BindingDB Entry DOI: 10.7270/Q2057GJZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453541
PNG
(CHEMBL2113611)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(OC)c3)ncnc12
Show InChI InChI=1S/C20H24N6O5/c1-3-21-19(29)16-14(27)15(28)20(31-16)26-10-25-13-17(23-9-24-18(13)26)22-8-11-5-4-6-12(7-11)30-2/h4-7,9-10,14-16,20,27-28H,3,8H2,1-2H3,(H,21,29)(H,22,23,24)/t14-,15+,16-,20+/m0/s1
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69n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for A1-adenosine receptor by the displacement of specific [3H]-PIA binding in rat brain was determined


J Med Chem 37: 636-46 (1994)


Article DOI: 10.1021/jm00031a014
BindingDB Entry DOI: 10.7270/Q2057GJZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50407975
PNG
(CHEMBL519809)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C11H14N6O4/c1-13-10(20)7-5(18)6(19)11(21-7)17-3-16-4-8(12)14-2-15-9(4)17/h2-3,5-7,11,18-19H,1H3,(H,13,20)(H2,12,14,15)/t5-,6+,7-,11+/m0/s1
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72n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat A3-adenosine receptor by the displacement of specific [125I]APNEA or [125I]-N6-(4-amino-3-iodobenzyl)-adenosine-...


J Med Chem 37: 636-46 (1994)


Article DOI: 10.1021/jm00031a014
BindingDB Entry DOI: 10.7270/Q2057GJZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50367376
PNG
(CHEMBL605866)
Show SMILES NC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C10H12N6O4/c11-7-3-9(14-1-13-7)16(2-15-3)10-5(18)4(17)6(20-10)8(12)19/h1-2,4-6,10,17-18H,(H2,12,19)(H2,11,13,14)/t4-,5+,6-,10?/m0/s1
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73n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for A1-adenosine receptor by the displacement of specific [3H]-PIA binding in rat brain was determined


J Med Chem 37: 636-46 (1994)


Article DOI: 10.1021/jm00031a014
BindingDB Entry DOI: 10.7270/Q2057GJZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453544
PNG
(CHEMBL2113638)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(c3)[N+]([O-])=O)ncnc12
Show InChI InChI=1S/C19H21N7O6/c1-2-20-18(29)15-13(27)14(28)19(32-15)25-9-24-12-16(22-8-23-17(12)25)21-7-10-4-3-5-11(6-10)26(30)31/h3-6,8-9,13-15,19,27-28H,2,7H2,1H3,(H,20,29)(H,21,22,23)/t13-,14+,15-,19+/m0/s1
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78n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for A1-adenosine receptor by the displacement of specific [3H]-PIA binding in rat brain was determined


J Med Chem 37: 636-46 (1994)


Article DOI: 10.1021/jm00031a014
BindingDB Entry DOI: 10.7270/Q2057GJZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50407975
PNG
(CHEMBL519809)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C11H14N6O4/c1-13-10(20)7-5(18)6(19)11(21-7)17-3-16-4-8(12)14-2-15-9(4)17/h2-3,5-7,11,18-19H,1H3,(H,13,20)(H2,12,14,15)/t5-,6+,7-,11+/m0/s1
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84n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for A1-adenosine receptor by the displacement of specific [3H]-PIA binding in rat brain was determined


J Med Chem 37: 636-46 (1994)


Article DOI: 10.1021/jm00031a014
BindingDB Entry DOI: 10.7270/Q2057GJZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453537
PNG
(CHEMBL2113614)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12
Show InChI InChI=1S/C19H22N6O4/c1-2-20-18(28)15-13(26)14(27)19(29-15)25-10-24-12-16(22-9-23-17(12)25)21-8-11-6-4-3-5-7-11/h3-7,9-10,13-15,19,26-27H,2,8H2,1H3,(H,20,28)(H,21,22,23)/t13-,14+,15-,19+/m0/s1
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87n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for A1-adenosine receptor by the displacement of specific [3H]-PIA binding in rat brain was determined


J Med Chem 37: 636-46 (1994)


Article DOI: 10.1021/jm00031a014
BindingDB Entry DOI: 10.7270/Q2057GJZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50368982
PNG
(CHEMBL610710)
Show SMILES O[C@H]1[C@@H](O)C(O[C@@H]1C(=O)NC1CC1)n1cnc2c(NCc3ccccc3)ncnc12
Show InChI InChI=1S/C20H22N6O4/c27-14-15(28)20(30-16(14)19(29)25-12-6-7-12)26-10-24-13-17(22-9-23-18(13)26)21-8-11-4-2-1-3-5-11/h1-5,9-10,12,14-16,20,27-28H,6-8H2,(H,25,29)(H,21,22,23)/t14-,15+,16-,20?/m0/s1
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103n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat A3-adenosine receptor by the displacement of specific [125I]APNEA or [125I]-N6-(4-amino-3-iodobenzyl)-adenosine-...


J Med Chem 37: 636-46 (1994)


Article DOI: 10.1021/jm00031a014
BindingDB Entry DOI: 10.7270/Q2057GJZ
More data for this
Ligand-Target Pair
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