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Compile Data Set for Download or QSAR

Found 120 hits with Last Name = 'ravi' and Initial = 'rg'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A1


(Rattus norvegicus (rat))
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=1/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-/s2
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1.30n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]R-PIA from rat brain membrane Adenosine A1 receptor


J Med Chem 43: 2196-203 (2000)


Article DOI: 10.1021/jm9905965
BindingDB Entry DOI: 10.7270/Q2ZW1MM5
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
Displacement of [125I]- AB-MECA from rat adenosine rA3 receptor expressed in CHO cells


J Med Chem 43: 2196-203 (2000)


Article DOI: 10.1021/jm9905965
BindingDB Entry DOI: 10.7270/Q2ZW1MM5
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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1.5n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]R-PIA from rat brain membrane Adenosine A1 receptor


J Med Chem 43: 2196-203 (2000)


Article DOI: 10.1021/jm9905965
BindingDB Entry DOI: 10.7270/Q2ZW1MM5
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50088428
PNG
((1R,2R,3S,4R,5S)-4-[2-Chloro-6-(3-iodo-benzylamino...)
Show SMILES OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C19H19ClIN5O3/c20-18-24-16(22-6-9-2-1-3-10(21)4-9)12-17(25-18)26(8-23-12)13-11-5-19(11,7-27)15(29)14(13)28/h1-4,8,11,13-15,27-29H,5-7H2,(H,22,24,25)/t11-,13-,14+,15+,19+/m1/s1
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2.20n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [125I]- AB-MECA from human adenosine A3 receptor expressed in HEK cells


J Med Chem 43: 2196-203 (2000)


Article DOI: 10.1021/jm9905965
BindingDB Entry DOI: 10.7270/Q2ZW1MM5
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50088425
PNG
((1R,2R,3S,4R,5S)-1-Hydroxymethyl-4-[6-(3-iodo-benz...)
Show SMILES OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C19H20IN5O3/c20-11-3-1-2-10(4-11)6-21-17-13-18(23-8-22-17)25(9-24-13)14-12-5-19(12,7-26)16(28)15(14)27/h1-4,8-9,12,14-16,26-28H,5-7H2,(H,21,22,23)/t12-,14-,15+,16+,19+/m1/s1
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4.10n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [125I]- AB-MECA from human adenosine A3 receptor expressed in HEK cells


J Med Chem 43: 2196-203 (2000)


Article DOI: 10.1021/jm9905965
BindingDB Entry DOI: 10.7270/Q2ZW1MM5
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50088424
PNG
((1R,2R,3S,4R,5S)-4-(6-Cyclopentylamino-purin-9-yl)...)
Show SMILES OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C17H23N5O3/c23-6-17-5-10(17)12(13(24)14(17)25)22-8-20-11-15(18-7-19-16(11)22)21-9-3-1-2-4-9/h7-10,12-14,23-25H,1-6H2,(H,18,19,21)/t10-,12-,13+,14+,17+/m1/s1
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5.10n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]R-PIA from rat brain membrane Adenosine A1 receptor


J Med Chem 43: 2196-203 (2000)


Article DOI: 10.1021/jm9905965
BindingDB Entry DOI: 10.7270/Q2ZW1MM5
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50088423
PNG
((1R,2R,3S,4R,5S)-4-(2-Chloro-6-cyclopentylamino-pu...)
Show SMILES OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
Show InChI InChI=1S/C17H22ClN5O3/c18-16-21-14(20-8-3-1-2-4-8)10-15(22-16)23(7-19-10)11-9-5-17(9,6-24)13(26)12(11)25/h7-9,11-13,24-26H,1-6H2,(H,20,21,22)/t9-,11-,12+,13+,17+/m1/s1
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8.80n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]R-PIA from rat brain membrane Adenosine A1 receptor


J Med Chem 43: 2196-203 (2000)


Article DOI: 10.1021/jm9905965
BindingDB Entry DOI: 10.7270/Q2ZW1MM5
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50088422
PNG
((2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C17H18IN5O4/c18-10-3-1-2-9(4-10)5-19-15-12-16(21-7-20-15)23(8-22-12)17-14(26)13(25)11(6-24)27-17/h1-4,7-8,11,13-14,17,24-26H,5-6H2,(H,19,20,21)/t11-,13-,14-,17-/m1/s1
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9.5n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [125I]- AB-MECA from rat adenosine rA3 receptor expressed in CHO cells


J Med Chem 43: 2196-203 (2000)


Article DOI: 10.1021/jm9905965
BindingDB Entry DOI: 10.7270/Q2ZW1MM5
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM14487
PNG
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
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10n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]R-PIA from rat brain membrane Adenosine A1 receptor


J Med Chem 43: 2196-203 (2000)


Article DOI: 10.1021/jm9905965
BindingDB Entry DOI: 10.7270/Q2ZW1MM5
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50088422
PNG
((2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C17H18IN5O4/c18-10-3-1-2-9(4-10)5-19-15-12-16(21-7-20-15)23(8-22-12)17-14(26)13(25)11(6-24)27-17/h1-4,7-8,11,13-14,17,24-26H,5-6H2,(H,19,20,21)/t11-,13-,14-,17-/m1/s1
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18n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-CGS- 21680 binding to adenosine A2A receptor in rat striatal membranes


J Med Chem 43: 2196-203 (2000)


Article DOI: 10.1021/jm9905965
BindingDB Entry DOI: 10.7270/Q2ZW1MM5
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
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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19n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]R-PIA from rat brain membrane Adenosine A1 receptor


J Med Chem 43: 2196-203 (2000)


Article DOI: 10.1021/jm9905965
BindingDB Entry DOI: 10.7270/Q2ZW1MM5
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50088422
PNG
((2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C17H18IN5O4/c18-10-3-1-2-9(4-10)5-19-15-12-16(21-7-20-15)23(8-22-12)17-14(26)13(25)11(6-24)27-17/h1-4,7-8,11,13-14,17,24-26H,5-6H2,(H,19,20,21)/t11-,13-,14-,17-/m1/s1
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20n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]R-PIA from rat brain membrane Adenosine A1 receptor


J Med Chem 43: 2196-203 (2000)


Article DOI: 10.1021/jm9905965
BindingDB Entry DOI: 10.7270/Q2ZW1MM5
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM14487
PNG
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
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30n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-CGS- 21680 binding to adenosine A2A receptor in rat striatal membranes


J Med Chem 43: 2196-203 (2000)


Article DOI: 10.1021/jm9905965
BindingDB Entry DOI: 10.7270/Q2ZW1MM5
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
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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39n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-CGS- 21680 binding to adenosine A2A receptor in rat striatal membranes


J Med Chem 43: 2196-203 (2000)


Article DOI: 10.1021/jm9905965
BindingDB Entry DOI: 10.7270/Q2ZW1MM5
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50088425
PNG
((1R,2R,3S,4R,5S)-1-Hydroxymethyl-4-[6-(3-iodo-benz...)
Show SMILES OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C19H20IN5O3/c20-11-3-1-2-10(4-11)6-21-17-13-18(23-8-22-17)25(9-24-13)14-12-5-19(12,7-26)16(28)15(14)27/h1-4,8-9,12,14-16,26-28H,5-7H2,(H,21,22,23)/t12-,14-,15+,16+,19+/m1/s1
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69n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]R-PIA from rat brain membrane Adenosine A1 receptor


J Med Chem 43: 2196-203 (2000)


Article DOI: 10.1021/jm9905965
BindingDB Entry DOI: 10.7270/Q2ZW1MM5
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM14487
PNG
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
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100n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [125I]- AB-MECA from rat adenosine A3 receptor expressed in CHO cells


J Med Chem 43: 2196-203 (2000)


Article DOI: 10.1021/jm9905965
BindingDB Entry DOI: 10.7270/Q2ZW1MM5
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50088428
PNG
((1R,2R,3S,4R,5S)-4-[2-Chloro-6-(3-iodo-benzylamino...)
Show SMILES OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C19H19ClIN5O3/c20-18-24-16(22-6-9-2-1-3-10(21)4-9)12-17(25-18)26(8-23-12)13-11-5-19(11,7-27)15(29)14(13)28/h1-4,8,11,13-15,27-29H,5-7H2,(H,22,24,25)/t11-,13-,14+,15+,19+/m1/s1
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141n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]R-PIA from rat brain membrane Adenosine A1 receptor


J Med Chem 43: 2196-203 (2000)


Article DOI: 10.1021/jm9905965
BindingDB Entry DOI: 10.7270/Q2ZW1MM5
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50088424
PNG
((1R,2R,3S,4R,5S)-4-(6-Cyclopentylamino-purin-9-yl)...)
Show SMILES OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C17H23N5O3/c23-6-17-5-10(17)12(13(24)14(17)25)22-8-20-11-15(18-7-19-16(11)22)21-9-3-1-2-4-9/h7-10,12-14,23-25H,1-6H2,(H,18,19,21)/t10-,12-,13+,14+,17+/m1/s1
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170n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [125I]- AB-MECA from human adenosine A3 receptor expressed in HEK cells


J Med Chem 43: 2196-203 (2000)


Article DOI: 10.1021/jm9905965
BindingDB Entry DOI: 10.7270/Q2ZW1MM5
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
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=1/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-/s2
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237n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [125I]- AB-MECA from rat adenosine A3 receptor expressed in HEK cells


J Med Chem 43: 2196-203 (2000)


Article DOI: 10.1021/jm9905965
BindingDB Entry DOI: 10.7270/Q2ZW1MM5
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
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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274n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [125I]- AB-MECA from rat adenosine A3 receptor expressed in CHO cells


J Med Chem 43: 2196-203 (2000)


Article DOI: 10.1021/jm9905965
BindingDB Entry DOI: 10.7270/Q2ZW1MM5
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50088427
PNG
((1R,2R,3S,4R,5S)-4-(6-Amino-purin-9-yl)-1-hydroxym...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1[C@H]2C[C@@]2(CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C12H15N5O3/c13-10-6-11(15-3-14-10)17(4-16-6)7-5-1-12(5,2-18)9(20)8(7)19/h3-5,7-9,18-20H,1-2H2,(H2,13,14,15)/t5-,7-,8+,9+,12+/m1/s1
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404n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [125I]- AB-MECA from human adenosine A3 receptor expressed in HEK cell in the absence of ADA


J Med Chem 43: 2196-203 (2000)


Article DOI: 10.1021/jm9905965
BindingDB Entry DOI: 10.7270/Q2ZW1MM5
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50088423
PNG
((1R,2R,3S,4R,5S)-4-(2-Chloro-6-cyclopentylamino-pu...)
Show SMILES OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
Show InChI InChI=1S/C17H22ClN5O3/c18-16-21-14(20-8-3-1-2-4-8)10-15(22-16)23(7-19-10)11-9-5-17(9,6-24)13(26)12(11)25/h7-9,11-13,24-26H,1-6H2,(H,20,21,22)/t9-,11-,12+,13+,17+/m1/s1
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466n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [125I]- AB-MECA from human adenosine A3 receptor expressed in HEK cells


J Med Chem 43: 2196-203 (2000)


Article DOI: 10.1021/jm9905965
BindingDB Entry DOI: 10.7270/Q2ZW1MM5
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50088425
PNG
((1R,2R,3S,4R,5S)-1-Hydroxymethyl-4-[6-(3-iodo-benz...)
Show SMILES OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C19H20IN5O3/c20-11-3-1-2-10(4-11)6-21-17-13-18(23-8-22-17)25(9-24-13)14-12-5-19(12,7-26)16(28)15(14)27/h1-4,8-9,12,14-16,26-28H,5-7H2,(H,21,22,23)/t12-,14-,15+,16+,19+/m1/s1
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601n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-CGS- 21680 binding to adenosine A2A receptor in rat striatal membranes


J Med Chem 43: 2196-203 (2000)


Article DOI: 10.1021/jm9905965
BindingDB Entry DOI: 10.7270/Q2ZW1MM5
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(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=1/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-/s2
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605n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-CGS- 21680 binding to adenosine A2A receptor in rat striatal membranes


J Med Chem 43: 2196-203 (2000)


Article DOI: 10.1021/jm9905965
BindingDB Entry DOI: 10.7270/Q2ZW1MM5
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50088428
PNG
((1R,2R,3S,4R,5S)-4-[2-Chloro-6-(3-iodo-benzylamino...)
Show SMILES OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C19H19ClIN5O3/c20-18-24-16(22-6-9-2-1-3-10(21)4-9)12-17(25-18)26(8-23-12)13-11-5-19(11,7-27)15(29)14(13)28/h1-4,8,11,13-15,27-29H,5-7H2,(H,22,24,25)/t11-,13-,14+,15+,19+/m1/s1
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732n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-CGS- 21680 binding to adenosine A2A receptor in rat striatal membranes


J Med Chem 43: 2196-203 (2000)


Article DOI: 10.1021/jm9905965
BindingDB Entry DOI: 10.7270/Q2ZW1MM5
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM25400
PNG
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
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857n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-CGS- 21680 binding to adenosine A2A receptor in rat striatal membranes


J Med Chem 43: 2196-203 (2000)


Article DOI: 10.1021/jm9905965
BindingDB Entry DOI: 10.7270/Q2ZW1MM5
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50088427
PNG
((1R,2R,3S,4R,5S)-4-(6-Amino-purin-9-yl)-1-hydroxym...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1[C@H]2C[C@@]2(CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C12H15N5O3/c13-10-6-11(15-3-14-10)17(4-16-6)7-5-1-12(5,2-18)9(20)8(7)19/h3-5,7-9,18-20H,1-2H2,(H2,13,14,15)/t5-,7-,8+,9+,12+/m1/s1
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1.68E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]R-PIA from rat brain membrane Adenosine A1 receptor


J Med Chem 43: 2196-203 (2000)


Article DOI: 10.1021/jm9905965
BindingDB Entry DOI: 10.7270/Q2ZW1MM5
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50088420
PNG
(3-Hydroxymethyl-5-[6-(3-iodo-benzylamino)-purin-9-...)
Show SMILES OC[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C18H20IN5O3/c19-12-3-1-2-10(4-12)6-20-17-14-18(22-8-21-17)24(9-23-14)13-5-11(7-25)15(26)16(13)27/h1-4,8-9,11,13,15-16,25-27H,5-7H2,(H,20,21,22)/t11-,13-,15-,16+/m1/s1
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1.96E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [125I]- AB-MECA from human adenosine A3 receptor expressed in HEK cells


J Med Chem 43: 2196-203 (2000)


Article DOI: 10.1021/jm9905965
BindingDB Entry DOI: 10.7270/Q2ZW1MM5
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50088426
PNG
((1R,2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H15N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h3-6,8-9,17-19H,1-2H2,(H2,12,13,14)/t5-,6-,8-,9+/m1/s1
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2.15E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-CGS- 21680 binding to adenosine A2A receptor in rat striatal membranes


J Med Chem 43: 2196-203 (2000)


Article DOI: 10.1021/jm9905965
BindingDB Entry DOI: 10.7270/Q2ZW1MM5
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50088423
PNG
((1R,2R,3S,4R,5S)-4-(2-Chloro-6-cyclopentylamino-pu...)
Show SMILES OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
Show InChI InChI=1S/C17H22ClN5O3/c18-16-21-14(20-8-3-1-2-4-8)10-15(22-16)23(7-19-10)11-9-5-17(9,6-24)13(26)12(11)25/h7-9,11-13,24-26H,1-6H2,(H,20,21,22)/t9-,11-,12+,13+,17+/m1/s1
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3.39E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-CGS- 21680 binding to adenosine A2A receptor in rat striatal membranes


J Med Chem 43: 2196-203 (2000)


Article DOI: 10.1021/jm9905965
BindingDB Entry DOI: 10.7270/Q2ZW1MM5
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50088422
PNG
((2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C17H18IN5O4/c18-10-3-1-2-9(4-10)5-19-15-12-16(21-7-20-15)23(8-22-12)17-14(26)13(25)11(6-24)27-17/h1-4,7-8,11,13-14,17,24-26H,5-6H2,(H,19,20,21)/t11-,13-,14-,17-/m1/s1
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3.57E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]- ZM-241385 from human adenosine A2B receptor expressed in HEK cells


J Med Chem 43: 2196-203 (2000)


Article DOI: 10.1021/jm9905965
BindingDB Entry DOI: 10.7270/Q2ZW1MM5
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
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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5.01E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]- ZM-241385 from human adenosine A2B receptor expressed in HEK cells


J Med Chem 43: 2196-203 (2000)


Article DOI: 10.1021/jm9905965
BindingDB Entry DOI: 10.7270/Q2ZW1MM5
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50088426
PNG
((1R,2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H15N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h3-6,8-9,17-19H,1-2H2,(H2,12,13,14)/t5-,6-,8-,9+/m1/s1
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6.26E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]R-PIA from rat brain membrane Adenosine A1 receptor


J Med Chem 43: 2196-203 (2000)


Article DOI: 10.1021/jm9905965
BindingDB Entry DOI: 10.7270/Q2ZW1MM5
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50088424
PNG
((1R,2R,3S,4R,5S)-4-(6-Cyclopentylamino-purin-9-yl)...)
Show SMILES OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C17H23N5O3/c23-6-17-5-10(17)12(13(24)14(17)25)22-8-20-11-15(18-7-19-16(11)22)21-9-3-1-2-4-9/h7-10,12-14,23-25H,1-6H2,(H,18,19,21)/t10-,12-,13+,14+,17+/m1/s1
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6.80E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-CGS- 21680 binding to adenosine A2A receptor in rat striatal membranes


J Med Chem 43: 2196-203 (2000)


Article DOI: 10.1021/jm9905965
BindingDB Entry DOI: 10.7270/Q2ZW1MM5
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50088425
PNG
((1R,2R,3S,4R,5S)-1-Hydroxymethyl-4-[6-(3-iodo-benz...)
Show SMILES OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C19H20IN5O3/c20-11-3-1-2-10(4-11)6-21-17-13-18(23-8-22-17)25(9-24-13)14-12-5-19(12,7-26)16(28)15(14)27/h1-4,8-9,12,14-16,26-28H,5-7H2,(H,21,22,23)/t12-,14-,15+,16+,19+/m1/s1
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1.21E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]- ZM-241385 from human adenosine A2B receptor expressed in HEK cells


J Med Chem 43: 2196-203 (2000)


Article DOI: 10.1021/jm9905965
BindingDB Entry DOI: 10.7270/Q2ZW1MM5
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50088426
PNG
((1R,2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H15N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h3-6,8-9,17-19H,1-2H2,(H2,12,13,14)/t5-,6-,8-,9+/m1/s1
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2.00E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [125I]- AB-MECA from rat adenosine A3 receptor expressed in CHO cells


J Med Chem 43: 2196-203 (2000)


Article DOI: 10.1021/jm9905965
BindingDB Entry DOI: 10.7270/Q2ZW1MM5
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
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=1/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-/s2
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2.04E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]- ZM-241385 from human adenosine A2B receptor expressed in HEK cells


J Med Chem 43: 2196-203 (2000)


Article DOI: 10.1021/jm9905965
BindingDB Entry DOI: 10.7270/Q2ZW1MM5
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
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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2.12E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]- ZM-241385 from human adenosine A2B receptor expressed in HEK cells


J Med Chem 43: 2196-203 (2000)


Article DOI: 10.1021/jm9905965
BindingDB Entry DOI: 10.7270/Q2ZW1MM5
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50088427
PNG
((1R,2R,3S,4R,5S)-4-(6-Amino-purin-9-yl)-1-hydroxym...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1[C@H]2C[C@@]2(CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C12H15N5O3/c13-10-6-11(15-3-14-10)17(4-16-6)7-5-1-12(5,2-18)9(20)8(7)19/h3-5,7-9,18-20H,1-2H2,(H2,13,14,15)/t5-,7-,8+,9+,12+/m1/s1
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2.25E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS- 21680 from human adenosine A2A receptor expressed in HEK cells.


J Med Chem 43: 2196-203 (2000)


Article DOI: 10.1021/jm9905965
BindingDB Entry DOI: 10.7270/Q2ZW1MM5
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50088420
PNG
(3-Hydroxymethyl-5-[6-(3-iodo-benzylamino)-purin-9-...)
Show SMILES OC[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C18H20IN5O3/c19-12-3-1-2-10(4-12)6-20-17-14-18(22-8-21-17)24(9-23-14)13-5-11(7-25)15(26)16(13)27/h1-4,8-9,11,13,15-16,25-27H,5-7H2,(H,20,21,22)/t11-,13-,15-,16+/m1/s1
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2.59E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]R-PIA from rat brain membrane Adenosine A1 receptor


J Med Chem 43: 2196-203 (2000)


Article DOI: 10.1021/jm9905965
BindingDB Entry DOI: 10.7270/Q2ZW1MM5
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50088428
PNG
((1R,2R,3S,4R,5S)-4-[2-Chloro-6-(3-iodo-benzylamino...)
Show SMILES OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C19H19ClIN5O3/c20-18-24-16(22-6-9-2-1-3-10(21)4-9)12-17(25-18)26(8-23-12)13-11-5-19(11,7-27)15(29)14(13)28/h1-4,8,11,13-15,27-29H,5-7H2,(H,22,24,25)/t11-,13-,14+,15+,19+/m1/s1
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4.10E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]- ZM-241385 from human adenosine A2B receptor expressed in HEK cells


J Med Chem 43: 2196-203 (2000)


Article DOI: 10.1021/jm9905965
BindingDB Entry DOI: 10.7270/Q2ZW1MM5
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50088426
PNG
((1R,2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H15N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h3-6,8-9,17-19H,1-2H2,(H2,12,13,14)/t5-,6-,8-,9+/m1/s1
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4.73E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]- ZM-241385 from human adenosine A2B receptor expressed in HEK cells


J Med Chem 43: 2196-203 (2000)


Article DOI: 10.1021/jm9905965
BindingDB Entry DOI: 10.7270/Q2ZW1MM5
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50088424
PNG
((1R,2R,3S,4R,5S)-4-(6-Cyclopentylamino-purin-9-yl)...)
Show SMILES OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C17H23N5O3/c23-6-17-5-10(17)12(13(24)14(17)25)22-8-20-11-15(18-7-19-16(11)22)21-9-3-1-2-4-9/h7-10,12-14,23-25H,1-6H2,(H,18,19,21)/t10-,12-,13+,14+,17+/m1/s1
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1.39E+5n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]- ZM-241385 from human adenosine A2B receptor expressed in HEK cells


J Med Chem 43: 2196-203 (2000)


Article DOI: 10.1021/jm9905965
BindingDB Entry DOI: 10.7270/Q2ZW1MM5
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50118238
PNG
(CHEMBL339873 | MRS 2279)
Show SMILES CNc1nc(Cl)nc2n(cnc12)[C@H]1CC(OP(O)(O)=O)C2(COP(O)(O)=O)CC12
Show InChI InChI=1S/C13H18ClN5O8P2/c1-15-10-9-11(18-12(14)17-10)19(5-16-9)7-2-8(27-29(23,24)25)13(3-6(7)13)4-26-28(20,21)22/h5-8H,2-4H2,1H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t6?,7-,8?,13?/m0/s1
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n/an/a 52n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against Turkey erythrocyte P2Y purinoceptor 1 (P2Y1) by the compound is measured


J Med Chem 45: 208-18 (2001)


Article DOI: 10.1021/jm010369e
BindingDB Entry DOI: 10.7270/Q2JS9R58
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50076460
PNG
(CHEMBL288798 | Phosphoric acid mono-[5-(2-chloro-6...)
Show SMILES CNc1nc(Cl)nc2n(cnc12)C1CC(OP(O)(O)=O)C(COP(O)(O)=O)O1
Show InChI InChI=1/C11H16ClN5O9P2/c1-13-9-8-10(16-11(12)15-9)17(4-14-8)7-2-5(26-28(21,22)23)6(25-7)3-24-27(18,19)20/h4-7H,2-3H2,1H3,(H,13,15,16)(H2,18,19,20)(H2,21,22,23)
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n/an/a 206n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against Turkey erythrocyte P2Y purinoceptor 1 (P2Y1) by the compound is measured


J Med Chem 45: 208-18 (2001)


Article DOI: 10.1021/jm010369e
BindingDB Entry DOI: 10.7270/Q2JS9R58
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM18137
PNG
(AMP | CHEMBL752 | [(2R,3S,4R,5R)-5-adenin-9-yl-3,4...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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n/an/an/an/a 2.80E+3n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Measure of Agonist Potency at turkey Purinoceptor P2Y1 stably expressed in 131N1 astrocytoma cell


J Med Chem 45: 208-18 (2001)


Article DOI: 10.1021/jm010369e
BindingDB Entry DOI: 10.7270/Q2JS9R58
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50306712
PNG
(((1R,2R,3S,4R,5S)-4-(2,4-dioxo-3,4-dihydropyrimidi...)
Show SMILES O[C@@H]1[C@H](O)[C@]2(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C[C@@H]2[C@H]1n1ccc(=O)[nH]c1=O
Show InChI InChI=1/C11H17N2O14P3/c14-6-1-2-13(10(17)12-6)7-5-3-11(5,9(16)8(7)15)4-25-29(21,22)27-30(23,24)26-28(18,19)20/h1-2,5,7-9,15-16H,3-4H2,(H,21,22)(H,23,24)(H,12,14,17)(H2,18,19,20)/t5-,7-,8+,9+,11+/s2
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n/an/an/an/a 8n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Measure of Agonist Potency at human P2Y purinoceptor 2 (hP2Y2) stably expressed in 131N1 astrocytoma cell


J Med Chem 45: 208-18 (2001)


Article DOI: 10.1021/jm010369e
BindingDB Entry DOI: 10.7270/Q2JS9R58
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50409486
PNG
(CHEMBL2111533)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1[C@H]2C[C@@]2(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C12H18N5O12P3/c13-10-6-11(15-3-14-10)17(4-16-6)7-5-1-12(5,9(19)8(7)18)2-27-31(23,24)29-32(25,26)28-30(20,21)22/h3-5,7-9,18-19H,1-2H2,(H,23,24)(H,25,26)(H2,13,14,15)(H2,20,21,22)/t5-,7-,8+,9+,12+/m1/s1
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n/an/an/an/a 2.80E+3n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Measure of Agonist Potency at turkey Purinoceptor P2Y1 stably expressed in 131N1 astrocytoma cell


J Med Chem 45: 208-18 (2001)


Article DOI: 10.1021/jm010369e
BindingDB Entry DOI: 10.7270/Q2JS9R58
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50409486
PNG
(CHEMBL2111533)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1[C@H]2C[C@@]2(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C12H18N5O12P3/c13-10-6-11(15-3-14-10)17(4-16-6)7-5-1-12(5,9(19)8(7)18)2-27-31(23,24)29-32(25,26)28-30(20,21)22/h3-5,7-9,18-19H,1-2H2,(H,23,24)(H,25,26)(H2,13,14,15)(H2,20,21,22)/t5-,7-,8+,9+,12+/m1/s1
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n/an/an/an/a 1.50E+3n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Measure of Agonist Potency at human P2Y purinoceptor 1 (hP2Y1) stably expressed in 131N1 astrocytoma cell


J Med Chem 45: 208-18 (2001)


Article DOI: 10.1021/jm010369e
BindingDB Entry DOI: 10.7270/Q2JS9R58
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM18137
PNG
(AMP | CHEMBL752 | [(2R,3S,4R,5R)-5-adenin-9-yl-3,4...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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n/an/an/an/a 3.50E+3n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Measure of Agonist Potency at turkey Purinoceptor P2Y1 stably expressed in 131N1 astrocytoma cell


J Med Chem 45: 208-18 (2001)


Article DOI: 10.1021/jm010369e
BindingDB Entry DOI: 10.7270/Q2JS9R58
More data for this
Ligand-Target Pair
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