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Compile Data Set for Download or QSAR

Found 645 hits with Last Name = 'stiles' and Initial = 'gl'   
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 A1 receptor


(BOVINE)
BDBM50207816
PNG
(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1
Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)
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0.300n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for Adenosine A1 receptor using [N6-[(3-[125I]-iodo-4-aminophenyl)ethyl]adenosine in calf brain


J Med Chem 32: 1043-51 (1989)


Article DOI: 10.1021/jm00125a019
BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
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)
BDBM21221
PNG
((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,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
Tested for the binding affinity of A3 receptor by displacing N6-[[125I]-4-amino-3-iodobenzyl]-adenosine-5''-N-methyluronamide from membranes of CHO ...


J Med Chem 37: 3614-21 (1994)


Article DOI: 10.1021/jm00047a018
BindingDB Entry DOI: 10.7270/Q2348M1V
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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0.460n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]-PIA from adenosine A1 receptors of rat brain membrane


J Med Chem 37: 3373-82 (1994)


Article DOI: 10.1021/jm00046a022
BindingDB Entry DOI: 10.7270/Q28914WW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50367863
PNG
(CHEMBL604356)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=S)Nc5ccc(cc5)N=C=S)cc4)cc3)ncnc12
Show InChI InChI=1S/C36H36N10O6S2/c47-17-27-31(50)32(51)35(52-27)46-19-41-30-33(39-18-40-34(30)46)44-25-7-3-22(4-8-25)16-29(49)43-24-5-1-21(2-6-24)15-28(48)37-13-14-38-36(54)45-26-11-9-23(10-12-26)42-20-53/h1-12,18-19,27,31-32,35,47,50-51H,13-17H2,(H,37,48)(H,43,49)(H2,38,45,54)(H,39,40,44)/t27-,31-,32-,35?/m1/s1
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0.469n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor using [3H]N6-(phenylisopropyl)adenosine (R)-[3H]-PIA as a radioligand in rat brain.


J Med Chem 32: 1043-51 (1989)


Article DOI: 10.1021/jm00125a019
BindingDB Entry DOI: 10.7270/Q2WQ04CH
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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0.590n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Tested for the binding affinity of A1 receptor by displacing the [3H]-PIA in rat brain membranes


J Med Chem 37: 3614-21 (1994)


Article DOI: 10.1021/jm00047a018
BindingDB Entry DOI: 10.7270/Q2348M1V
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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0.600n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Tested for the binding affinity of A1 receptor by displacing the [3H]-PIA in rat brain membranes


J Med Chem 37: 3614-21 (1994)


Article DOI: 10.1021/jm00047a018
BindingDB Entry DOI: 10.7270/Q2348M1V
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50367859
PNG
(CHEMBL604152)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=S)Nc5cccc(c5)N=C=S)cc4)cc3)ncnc12
Show InChI InChI=1S/C36H36N10O6S2/c47-17-27-31(50)32(51)35(52-27)46-19-41-30-33(39-18-40-34(30)46)44-24-10-6-22(7-11-24)15-29(49)43-23-8-4-21(5-9-23)14-28(48)37-12-13-38-36(54)45-26-3-1-2-25(16-26)42-20-53/h1-11,16,18-19,27,31-32,35,47,50-51H,12-15,17H2,(H,37,48)(H,43,49)(H2,38,45,54)(H,39,40,44)/t27-,31-,32-,35?/m1/s1
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0.867n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor using [3H]N6-(phenylisopropyl)adenosine (R)-[3H]-PIA as a radioligand in rat brain.


J Med Chem 32: 1043-51 (1989)


Article DOI: 10.1021/jm00125a019
BindingDB Entry DOI: 10.7270/Q2WQ04CH
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
Tested for the binding affinity of A3 receptor by displacing N6-[[125I]-4-amino-3-iodobenzyl]-adenosine-5''-N-methyluronamide from membranes of CHO ...


J Med Chem 37: 3614-21 (1994)


Article DOI: 10.1021/jm00047a018
BindingDB Entry DOI: 10.7270/Q2348M1V
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50207816
PNG
(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1
Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)
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1.10n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor using [3H]N6-(phenylisopropyl)adenosine (R)-[3H]-PIA as a radioligand in rat brain.


J Med Chem 32: 1043-51 (1989)


Article DOI: 10.1021/jm00125a019
BindingDB Entry DOI: 10.7270/Q2WQ04CH
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 A1


(Rattus norvegicus (rat))
BDBM50207816
PNG
(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1
Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)
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1.20n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]-PIA from adenosine A1 receptors of rat brain membrane


J Med Chem 37: 3373-82 (1994)


Article DOI: 10.1021/jm00046a022
BindingDB Entry DOI: 10.7270/Q28914WW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50367862
PNG
(CHEMBL604353)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=S)Nc5ccc(Br)cc5)cc4)cc3)ncnc12
Show InChI InChI=1S/C35H36BrN9O6S/c36-22-5-11-25(12-6-22)44-35(52)38-14-13-37-27(47)15-20-1-7-23(8-2-20)42-28(48)16-21-3-9-24(10-4-21)43-32-29-33(40-18-39-32)45(19-41-29)34-31(50)30(49)26(17-46)51-34/h1-12,18-19,26,30-31,34,46,49-50H,13-17H2,(H,37,47)(H,42,48)(H2,38,44,52)(H,39,40,43)/t26-,30-,31-,34?/m1/s1
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1.20n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor using [3H]N6-(phenylisopropyl)adenosine (R)-[3H]-PIA as a radioligand in rat brain.


J Med Chem 32: 1043-51 (1989)


Article DOI: 10.1021/jm00125a019
BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM50367265
PNG
(BDBM50396917 | CHEMBL1512545 | CHEMBL603401)
Show SMILES NCCNC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4n(cnc34)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1
Show InChI InChI=1S/C28H32N8O6/c29-9-10-30-21(38)11-16-1-5-18(6-2-16)34-22(39)12-17-3-7-19(8-4-17)35-26-23-27(32-14-31-26)36(15-33-23)28-25(41)24(40)20(13-37)42-28/h1-8,14-15,20,24-25,28,37,40-41H,9-13,29H2,(H,30,38)(H,34,39)(H,31,32,35)/t20-,24-,25-,28?/m1/s1
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1.30n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor using [3H]N6-(phenylisopropyl)adenosine (R)-[3H]-PIA as a radioligand in rat brain.


J Med Chem 32: 1043-51 (1989)


Article DOI: 10.1021/jm00125a019
BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50017981
PNG
(2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=S)Nc2ccc(cc2)N=C=S)cc1
Show InChI InChI=1S/C29H32N8O4S2/c1-3-15-36-26-24(27(39)37(16-4-2)29(36)40)34-25(35-26)19-5-11-22(12-6-19)41-17-23(38)30-13-14-31-28(43)33-21-9-7-20(8-10-21)32-18-42/h5-12H,3-4,13-17H2,1-2H3,(H,30,38)(H,34,35)(H2,31,33,43)
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1.30n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for Adenosine A1 receptor using [3H]-N6 -(phenylisopropyl)-adenosine (R)-[3H]-PIA in rat brain


J Med Chem 32: 1043-51 (1989)


Article DOI: 10.1021/jm00125a019
BindingDB Entry DOI: 10.7270/Q2WQ04CH
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
Tested for the binding affinity of A3 receptor by displacing N6-[[125I]-4-amino-3-iodobenzyl]-adenosine-5''-N-methyluronamide from membranes of CHO ...


J Med Chem 37: 3614-21 (1994)


Article DOI: 10.1021/jm00047a018
BindingDB Entry DOI: 10.7270/Q2348M1V
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50088421
PNG
((2R,3R,4S,5R)-2-[2-Chloro-6-(3-iodo-benzylamino)-p...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C17H17ClIN5O4/c18-17-22-14(20-5-8-2-1-3-9(19)4-8)11-15(23-17)24(7-21-11)16-13(27)12(26)10(6-25)28-16/h1-4,7,10,12-13,16,25-27H,5-6H2,(H,20,22,23)/t10-,12-,13-,16-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Tested for the binding affinity of A3 receptor by displacing N6-[[125I]-4-amino-3-iodobenzyl]-adenosine-5''-N-methyluronamide from membranes of CHO ...


J Med Chem 37: 3614-21 (1994)


Article DOI: 10.1021/jm00047a018
BindingDB Entry DOI: 10.7270/Q2348M1V
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50367870
PNG
(CHEMBL605171)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=S)Nc5c(F)c(F)c(F)c(F)c5F)cc4)cc3)ncnc12
Show InChI InChI=1S/C35H32F5N9O6S/c36-23-24(37)26(39)28(27(40)25(23)38)48-35(56)42-10-9-41-21(51)11-16-1-5-18(6-2-16)46-22(52)12-17-3-7-19(8-4-17)47-32-29-33(44-14-43-32)49(15-45-29)34-31(54)30(53)20(13-50)55-34/h1-8,14-15,20,30-31,34,50,53-54H,9-13H2,(H,41,51)(H,46,52)(H2,42,48,56)(H,43,44,47)/t20-,30-,31-,34?/m1/s1
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1.60n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor using [3H]-N6 -(phenylisopropyl)-adenosine (R)-[3H]-PIA in rat brain.


J Med Chem 32: 1043-51 (1989)


Article DOI: 10.1021/jm00125a019
BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM1
PNG
(BDBM233149 | thymidine)
Show SMILES CN(C)N\N=C1\N=CN=C1C(N)=O
Show InChI InChI=1S/C6H10N6O/c1-12(2)11-10-6-4(5(7)13)8-3-9-6/h3,11H,1-2H3,(H2,7,13)/b10-6+
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1.70n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive and Kidney Diseases

Curated by PDSP Ki Database




Mol Pharmacol 45: 1101-11 (1994)


BindingDB Entry DOI: 10.7270/Q26Q1VR9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50367871
PNG
(CHEMBL605179)
Show SMILES OCC1OC(C(O)C1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCC[N-]C(=[SH+])Nc5ccc(cc5)[N+]([O-])=O)cc4)cc3)ncnc12
Show InChI InChI=1S/C35H36N10O8S/c46-17-26-30(49)31(50)34(53-26)44-19-40-29-32(38-18-39-33(29)44)42-23-7-3-21(4-8-23)16-28(48)41-22-5-1-20(2-6-22)15-27(47)36-13-14-37-35(54)43-24-9-11-25(12-10-24)45(51)52/h1-12,18-19,26,30-31,34,46,49-50H,13-17H2,(H5,36,37,38,39,41,42,43,47,48,54)
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2n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor using [3H]N6-(phenylisopropyl)adenosine (R)-[3H]-PIA as a radioligand in rat brain.


J Med Chem 32: 1043-51 (1989)


Article DOI: 10.1021/jm00125a019
BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50368540
PNG
(CHEMBL609534)
Show SMILES Nc1ccc(CCNc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1I
Show InChI InChI=1S/C18H21IN6O4/c19-10-5-9(1-2-11(10)20)3-4-21-16-13-17(23-7-22-16)25(8-24-13)18-15(28)14(27)12(6-26)29-18/h1-2,5,7-8,12,14-15,18,26-28H,3-4,6,20H2,(H,21,22,23)/t12-,14-,15-,18?/m1/s1
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2.10n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Tested for the binding affinity of A1 receptor by displacing the [3H]-PIA in rat brain membranes


J Med Chem 37: 3614-21 (1994)


Article DOI: 10.1021/jm00047a018
BindingDB Entry DOI: 10.7270/Q2348M1V
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50407234
PNG
(CHEMBL2113557)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(SC)nc12
Show InChI InChI=1S/C19H21IN6O4S/c1-21-17(29)14-12(27)13(28)18(30-14)26-8-23-11-15(24-19(31-2)25-16(11)26)22-7-9-4-3-5-10(20)6-9/h3-6,8,12-14,18,27-28H,7H2,1-2H3,(H,21,29)(H,22,24,25)/t12-,13+,14-,18+/m0/s1
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2.30n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Tested for the binding affinity of A3 receptor by displacing N6-[[125I]-4-amino-3-iodobenzyl]-adenosine-5''-N-methyluronamide from membranes of CHO ...


J Med Chem 37: 3614-21 (1994)


Article DOI: 10.1021/jm00047a018
BindingDB Entry DOI: 10.7270/Q2348M1V
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50008400
PNG
(2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=S)Nc2cccc(c2)N=C=S)cc1
Show InChI InChI=1S/C29H32N8O4S2/c1-3-14-36-26-24(27(39)37(15-4-2)29(36)40)34-25(35-26)19-8-10-22(11-9-19)41-17-23(38)30-12-13-31-28(43)33-21-7-5-6-20(16-21)32-18-42/h5-11,16H,3-4,12-15,17H2,1-2H3,(H,30,38)(H,34,35)(H2,31,33,43)
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2.40n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor using [3H]N6-(phenylisopropyl)adenosine (R)-[3H]-PIA as a radioligand in rat brain.


J Med Chem 32: 1043-51 (1989)


Article DOI: 10.1021/jm00125a019
BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50018009
PNG
(3-(2-{2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNS(=O)(=O)c2cccc(c2)S(Cl)(=O)=O)cc1
Show InChI InChI=1S/C27H31ClN6O8S2/c1-3-14-33-25-23(26(36)34(15-4-2)27(33)37)31-24(32-25)18-8-10-19(11-9-18)42-17-22(35)29-12-13-30-44(40,41)21-7-5-6-20(16-21)43(28,38)39/h5-11,16,30H,3-4,12-15,17H2,1-2H3,(H,29,35)(H,31,32)
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2.5n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor using [3H]N6-(phenylisopropyl)adenosine (R)-[3H]-PIA as a radioligand in rat brain.


J Med Chem 32: 1043-51 (1989)


Article DOI: 10.1021/jm00125a019
BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50367867
PNG
(CHEMBL605170)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=S)Nc5ccc(cc5)C#N)cc4)cc3)ncnc12
Show InChI InChI=1S/C36H36N10O6S/c37-17-23-5-11-26(12-6-23)45-36(53)39-14-13-38-28(48)15-21-1-7-24(8-2-21)43-29(49)16-22-3-9-25(10-4-22)44-33-30-34(41-19-40-33)46(20-42-30)35-32(51)31(50)27(18-47)52-35/h1-12,19-20,27,31-32,35,47,50-51H,13-16,18H2,(H,38,48)(H,43,49)(H2,39,45,53)(H,40,41,44)/t27-,31-,32-,35?/m1/s1
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2.70n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor using [3H]-N6 -(phenylisopropyl)-adenosine (R)-[3H]-PIA in rat brain.


J Med Chem 32: 1043-51 (1989)


Article DOI: 10.1021/jm00125a019
BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50096295
PNG
(Uridine | Uridine dinucleoside 5'-polyphosphate an...)
Show SMILES OC1C(O)C(OC1COP([O-])(=O)OP(O)([O-])=O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-2
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2.80n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive and Kidney Diseases

Curated by PDSP Ki Database




Mol Pharmacol 45: 1101-11 (1994)


BindingDB Entry DOI: 10.7270/Q26Q1VR9
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50453443
PNG
(CHEMBL2113562)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(NC)nc12
Show InChI InChI=1S/C19H22IN7O4/c1-21-17(30)14-12(28)13(29)18(31-14)27-8-24-11-15(25-19(22-2)26-16(11)27)23-7-9-4-3-5-10(20)6-9/h3-6,8,12-14,18,28-29H,7H2,1-2H3,(H,21,30)(H2,22,23,25,26)/t12-,13+,14-,18+/m0/s1
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3.10n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Tested for the binding affinity of A3 receptor by displacing N6-[[125I]-4-amino-3-iodobenzyl]-adenosine-5''-N-methyluronamide from membranes of CHO ...


J Med Chem 37: 3614-21 (1994)


Article DOI: 10.1021/jm00047a018
BindingDB Entry DOI: 10.7270/Q2348M1V
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50017983
PNG
(2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCC=O)cc1
Show InChI InChI=1S/C21H25N5O5/c1-3-10-25-19-17(20(29)26(11-4-2)21(25)30)23-18(24-19)14-5-7-15(8-6-14)31-13-16(28)22-9-12-27/h5-8,12H,3-4,9-11,13H2,1-2H3,(H,22,28)(H,23,24)
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3.20n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for Adenosine A1 receptor using [125I]APNEA in calf brain.


J Med Chem 32: 1043-51 (1989)


Article DOI: 10.1021/jm00125a019
BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50367865
PNG
(CHEMBL603937)
Show SMILES Cc1ccc(NC(=S)NCCNC(=O)Cc2ccc(NC(=O)Cc3ccc(Nc4ncnc5n(cnc45)C4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)cc2)cc1
Show InChI InChI=1S/C36H39N9O6S/c1-21-2-8-26(9-3-21)44-36(52)38-15-14-37-28(47)16-22-4-10-24(11-5-22)42-29(48)17-23-6-12-25(13-7-23)43-33-30-34(40-19-39-33)45(20-41-30)35-32(50)31(49)27(18-46)51-35/h2-13,19-20,27,31-32,35,46,49-50H,14-18H2,1H3,(H,37,47)(H,42,48)(H2,38,44,52)(H,39,40,43)/t27-,31-,32-,35?/m1/s1
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3.70n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor using [3H]N6-(phenylisopropyl)adenosine (R)-[3H]-PIA as a radioligand in rat brain.


J Med Chem 32: 1043-51 (1989)


Article DOI: 10.1021/jm00125a019
BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50017991
PNG
(7-(2-{2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCCCCCC(=O)ON2C(=O)CCC2=O)cc1
Show InChI InChI=1S/C33H43N7O9/c1-3-19-38-31-29(32(46)39(20-4-2)33(38)47)36-30(37-31)22-11-13-23(14-12-22)48-21-25(42)35-18-17-34-24(41)9-7-5-6-8-10-28(45)49-40-26(43)15-16-27(40)44/h11-14H,3-10,15-21H2,1-2H3,(H,34,41)(H,35,42)(H,36,37)
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3.70n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor using [3H]N6-(phenylisopropyl)adenosine (R)-[3H]-PIA as a radioligand in rat brain.


J Med Chem 32: 1043-51 (1989)


Article DOI: 10.1021/jm00125a019
BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50367861
PNG
(CHEMBL603400)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCN=C=S)cc4)cc3)ncnc12
Show InChI InChI=1S/C29H30N8O6S/c38-13-21-25(41)26(42)29(43-21)37-15-34-24-27(32-14-33-28(24)37)36-20-7-3-18(4-8-20)12-23(40)35-19-5-1-17(2-6-19)11-22(39)31-10-9-30-16-44/h1-8,14-15,21,25-26,29,38,41-42H,9-13H2,(H,31,39)(H,35,40)(H,32,33,36)/t21-,25-,26-,29?/m1/s1
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4.20n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for Adenosine A1 receptor using [125I]APNEA in calf brain.


J Med Chem 32: 1043-51 (1989)


Article DOI: 10.1021/jm00125a019
BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM82521
PNG
(3,9-DimethylX | 3,9-Dimethylxanthine | 3,9-dimethy...)
Show SMILES Cn1cnc2c1n(C)c(=O)[nH]c2=O
Show InChI InChI=1S/C7H8N4O2/c1-10-3-8-4-5(12)9-7(13)11(2)6(4)10/h3H,1-2H3,(H,9,12,13)
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4.20n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive and Kidney Diseases

Curated by PDSP Ki Database




Mol Pharmacol 45: 1101-11 (1994)


BindingDB Entry DOI: 10.7270/Q26Q1VR9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50367861
PNG
(CHEMBL603400)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCN=C=S)cc4)cc3)ncnc12
Show InChI InChI=1S/C29H30N8O6S/c38-13-21-25(41)26(42)29(43-21)37-15-34-24-27(32-14-33-28(24)37)36-20-7-3-18(4-8-20)12-23(40)35-19-5-1-17(2-6-19)11-22(39)31-10-9-30-16-44/h1-8,14-15,21,25-26,29,38,41-42H,9-13H2,(H,31,39)(H,35,40)(H,32,33,36)/t21-,25-,26-,29?/m1/s1
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4.5n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor using [3H]N6-(phenylisopropyl)adenosine (R)-[3H]-PIA as a radioligand in rat brain.


J Med Chem 32: 1043-51 (1989)


Article DOI: 10.1021/jm00125a019
BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50364060
PNG
(CHEMBL1950647)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)NCCN)cc3)nc12
Show InChI InChI=1S/C25H35N9O5/c1-2-28-23(38)20-18(36)19(37)24(39-20)34-13-31-17-21(27)32-25(33-22(17)34)30-11-9-15-5-3-14(4-6-15)7-8-16(35)29-12-10-26/h3-6,13,18-20,24,36-37H,2,7-12,26H2,1H3,(H,28,38)(H,29,35)(H3,27,30,32,33)/t18-,19+,20-,24+/m0/s1
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5.70n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Tested for the binding affinity of A2a receptor by displacing the [3H]-CGS- 21680 in rat striatal membranes


J Med Chem 37: 3614-21 (1994)


Article DOI: 10.1021/jm00047a018
BindingDB Entry DOI: 10.7270/Q2348M1V
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50031231
PNG
(2-(6-Amino-purin-9-yl)-5-hydroxymethyl-tetrahydro-...)
Show SMILES Nc1ncnc2n(cnc12)C1OC(CO)CC1O
Show InChI InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)
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5.80n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive and Kidney Diseases

Curated by PDSP Ki Database




Mol Pharmacol 45: 1101-11 (1994)


BindingDB Entry DOI: 10.7270/Q26Q1VR9
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM82534
PNG
(1,9-DimethylX | 1,9-Dimethylxanthine)
Show SMILES Cn1cnc2c1[nH]c(=O)n(C)c2=O
Show InChI InChI=1S/C7H8N4O2/c1-10-3-8-4-5(10)9-7(13)11(2)6(4)12/h3H,1-2H3,(H,9,13)
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6n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive and Kidney Diseases

Curated by PDSP Ki Database




Mol Pharmacol 45: 1101-11 (1994)


BindingDB Entry DOI: 10.7270/Q26Q1VR9
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50017999
PNG
(6-Oxo-heptanoic acid (2-{2-[4-(2,6-dioxo-1,3-dipro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCCCC(C)=O)cc1
Show InChI InChI=1S/C28H38N6O6/c1-4-16-33-26-24(27(38)34(17-5-2)28(33)39)31-25(32-26)20-10-12-21(13-11-20)40-18-23(37)30-15-14-29-22(36)9-7-6-8-19(3)35/h10-13H,4-9,14-18H2,1-3H3,(H,29,36)(H,30,37)(H,31,32)
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6.20n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for Adenosine A1 receptor using [125I]APNEA in calf brain.


J Med Chem 32: 1043-51 (1989)


Article DOI: 10.1021/jm00125a019
BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50017981
PNG
(2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=S)Nc2ccc(cc2)N=C=S)cc1
Show InChI InChI=1S/C29H32N8O4S2/c1-3-15-36-26-24(27(39)37(16-4-2)29(36)40)34-25(35-26)19-5-11-22(12-6-19)41-17-23(38)30-13-14-31-28(43)33-21-9-7-20(8-10-21)32-18-42/h5-12H,3-4,13-17H2,1-2H3,(H,30,38)(H,34,35)(H2,31,33,43)
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6.60n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor using [3H]N6-(phenylisopropyl)adenosine (R)-[3H]-PIA as a radioligand in rat brain.


J Med Chem 32: 1043-51 (1989)


Article DOI: 10.1021/jm00125a019
BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
ADORA3


(RAT)
BDBM82528
PNG
(N6-BenzylNECA)
Show SMILES CCNC(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12
Show InChI InChI=1S/C20H24N6O5/c1-2-21-20(29)30-9-13-15(27)16(28)19(31-13)26-11-25-14-17(23-10-24-18(14)26)22-8-12-6-4-3-5-7-12/h3-7,10-11,13,15-16,19,27-28H,2,8-9H2,1H3,(H,21,29)(H,22,23,24)/t13-,15-,16-,19?/m1/s1
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6.80n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive and Kidney Diseases

Curated by PDSP Ki Database




Mol Pharmacol 45: 1101-11 (1994)


BindingDB Entry DOI: 10.7270/Q26Q1VR9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50367864
PNG
(CHEMBL603938)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=S)Nc5ccccc5F)cc4)cc3)ncnc12
Show InChI InChI=1S/C35H36FN9O6S/c36-24-3-1-2-4-25(24)44-35(52)38-14-13-37-27(47)15-20-5-9-22(10-6-20)42-28(48)16-21-7-11-23(12-8-21)43-32-29-33(40-18-39-32)45(19-41-29)34-31(50)30(49)26(17-46)51-34/h1-12,18-19,26,30-31,34,46,49-50H,13-17H2,(H,37,47)(H,42,48)(H2,38,44,52)(H,39,40,43)/t26-,30-,31-,34?/m1/s1
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6.80n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor using [3H]N6-(phenylisopropyl)adenosine (R)-[3H]-PIA as a radioligand in rat brain.


J Med Chem 32: 1043-51 (1989)


Article DOI: 10.1021/jm00125a019
BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50017980
PNG
(CHEMBL275232 | N-(2-{2-[4-(2,6-Dioxo-1,3-dipropyl-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CNC(=S)Nc2ccc(cc2)N=C=S)cc1
Show InChI InChI=1S/C31H35N9O5S2/c1-3-15-39-28-26(29(43)40(16-4-2)31(39)44)37-27(38-28)20-5-11-23(12-6-20)45-18-25(42)33-14-13-32-24(41)17-34-30(47)36-22-9-7-21(8-10-22)35-19-46/h5-12H,3-4,13-18H2,1-2H3,(H,32,41)(H,33,42)(H,37,38)(H2,34,36,47)
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6.90n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor using [3H]N6-(phenylisopropyl)adenosine (R)-[3H]-PIA as a radioligand in rat brain.


J Med Chem 32: 1043-51 (1989)


Article DOI: 10.1021/jm00125a019
BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50037439
PNG
(5-{3-[(E)-2-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tet...)
Show SMILES Cn1c(\C=C\c2cccc(NC(=O)CCCCC(O)=O)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C22H25N5O5/c1-25-16(24-20-19(25)21(31)27(3)22(32)26(20)2)12-11-14-7-6-8-15(13-14)23-17(28)9-4-5-10-18(29)30/h6-8,11-13H,4-5,9-10H2,1-3H3,(H,23,28)(H,29,30)/b12-11+
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7.22n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS- 21680 from adenosine A2a receptors of rat striatal membrane


J Med Chem 37: 3373-82 (1994)


Article DOI: 10.1021/jm00046a022
BindingDB Entry DOI: 10.7270/Q28914WW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50017985
PNG
(CHEMBL266522 | N-{2-[3-(4-Bromo-phenyl)-thioureido...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=S)Nc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C28H32BrN7O4S/c1-3-15-35-25-23(26(38)36(16-4-2)28(35)39)33-24(34-25)18-5-11-21(12-6-18)40-17-22(37)30-13-14-31-27(41)32-20-9-7-19(29)8-10-20/h5-12H,3-4,13-17H2,1-2H3,(H,30,37)(H,33,34)(H2,31,32,41)
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7.30n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor using [3H]N6-(phenylisopropyl)adenosine (R)-[3H]-PIA as a radioligand in rat brain.


J Med Chem 32: 1043-51 (1989)


Article DOI: 10.1021/jm00125a019
BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50367868
PNG
(CHEMBL604357)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=O)CBr)cc4)cc3)ncnc12
Show InChI InChI=1S/C30H33BrN8O7/c31-13-24(43)33-10-9-32-22(41)11-17-1-5-19(6-2-17)37-23(42)12-18-3-7-20(8-4-18)38-28-25-29(35-15-34-28)39(16-36-25)30-27(45)26(44)21(14-40)46-30/h1-8,15-16,21,26-27,30,40,44-45H,9-14H2,(H,32,41)(H,33,43)(H,37,42)(H,34,35,38)/t21-,26-,27-,30?/m1/s1
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8.30n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor using [3H]N6-(phenylisopropyl)adenosine (R)-[3H]-PIA as a radioligand in rat brain.


J Med Chem 32: 1043-51 (1989)


Article DOI: 10.1021/jm00125a019
BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50367866
PNG
(CHEMBL603923)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)ON4C(=O)CCC4=O)cc3)ncnc12
Show InChI InChI=1S/C22H22N6O8/c29-8-13-18(33)19(34)22(35-13)27-10-25-17-20(23-9-24-21(17)27)26-12-3-1-11(2-4-12)7-16(32)36-28-14(30)5-6-15(28)31/h1-4,9-10,13,18-19,22,29,33-34H,5-8H2,(H,23,24,26)/t13-,18-,19-,22?/m1/s1
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8.40n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor using [3H]N6-(phenylisopropyl)adenosine (R)-[3H]-PIA as a radioligand in rat brain.


J Med Chem 32: 1043-51 (1989)


Article DOI: 10.1021/jm00125a019
BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50367872
PNG
(CHEMBL603402)
Show SMILES COc1ccc(NC(=S)NCCNC(=O)Cc2ccc(NC(=O)Cc3ccc(Nc4ncnc5n(cnc45)C4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)cc2)cc1
Show InChI InChI=1S/C36H39N9O7S/c1-51-26-12-10-25(11-13-26)44-36(53)38-15-14-37-28(47)16-21-2-6-23(7-3-21)42-29(48)17-22-4-8-24(9-5-22)43-33-30-34(40-19-39-33)45(20-41-30)35-32(50)31(49)27(18-46)52-35/h2-13,19-20,27,31-32,35,46,49-50H,14-18H2,1H3,(H,37,47)(H,42,48)(H2,38,44,53)(H,39,40,43)/t27-,31-,32-,35?/m1/s1
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8.5n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor using [3H]-N6 -(phenylisopropyl)-adenosine (R)-[3H]-PIA in rat brain.


J Med Chem 32: 1043-51 (1989)


Article DOI: 10.1021/jm00125a019
BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM82540
PNG
(CAS_146-80-5 | NSC_1190 | Xanthosine)
Show SMILES OC1C(COP(O)(O)=O)OC(C1O)n1cnc2c1[nH]c(=O)[nH]c2=O
Show InChI InChI=1S/C10H13N4O9P/c15-5-3(1-22-24(19,20)21)23-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H2,19,20,21)(H2,12,13,17,18)
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8.5n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive and Kidney Diseases

Curated by PDSP Ki Database




Mol Pharmacol 45: 1101-11 (1994)


BindingDB Entry DOI: 10.7270/Q26Q1VR9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50367869
PNG
(CHEMBL603931)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=S)Nc5ccc(F)cc5)cc4)cc3)ncnc12
Show InChI InChI=1S/C35H36FN9O6S/c36-22-5-11-25(12-6-22)44-35(52)38-14-13-37-27(47)15-20-1-7-23(8-2-20)42-28(48)16-21-3-9-24(10-4-21)43-32-29-33(40-18-39-32)45(19-41-29)34-31(50)30(49)26(17-46)51-34/h1-12,18-19,26,30-31,34,46,49-50H,13-17H2,(H,37,47)(H,42,48)(H2,38,44,52)(H,39,40,43)/t26-,30-,31-,34?/m1/s1
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8.70n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor using [3H]N6-(phenylisopropyl)adenosine (R)-[3H]-PIA as a radioligand in rat brain.


J Med Chem 32: 1043-51 (1989)


Article DOI: 10.1021/jm00125a019
BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50018002
PNG
(CHEMBL27081 | [4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-t...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)ON2C(=O)CCC2=O)cc1
Show InChI InChI=1S/C23H25N5O7/c1-3-11-26-21-19(22(32)27(12-4-2)23(26)33)24-20(25-21)14-5-7-15(8-6-14)34-13-18(31)35-28-16(29)9-10-17(28)30/h5-8H,3-4,9-13H2,1-2H3,(H,24,25)
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9n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor using [3H]N6-(phenylisopropyl)adenosine (R)-[3H]-PIA as a radioligand in rat brain.


J Med Chem 32: 1043-51 (1989)


Article DOI: 10.1021/jm00125a019
BindingDB Entry DOI: 10.7270/Q2WQ04CH
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50037429
PNG
(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)
Show SMILES Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H15ClN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b8-7+
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9.08n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS- 21680 from adenosine A2a receptors of rat striatal membrane


J Med Chem 37: 3373-82 (1994)


Article DOI: 10.1021/jm00046a022
BindingDB Entry DOI: 10.7270/Q28914WW
More data for this
Ligand-Target Pair
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