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Compile Data Set for Download or QSAR

Found 62 hits Enz. Inhib. hit(s) with Target = 'Adenosine A2 receptor'   
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 A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50281145
PNG
((2R,3R,4S,5R)-2-[2-Chloro-6-(2-phenyl-piperidin-1-...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCCC3c3ccccc3)nc(Cl)nc12
Show InChI InChI=1S/C21H25ClN6O4/c22-21-24-18(26-28-9-5-4-8-13(28)12-6-2-1-3-7-12)15-19(25-21)27(11-23-15)20-17(31)16(30)14(10-29)32-20/h1-3,6-7,11,13-14,16-17,20,29-31H,4-5,8-10H2,(H,24,25,26)/t13?,14-,16-,17-,20-/m1/s1
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17n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of adenosine A2 receptor binding to rat brain


Bioorg Med Chem Lett 3: 2661-2666 (1993)

More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50281143
PNG
((2R,3R,4S,5R)-2-[2-Chloro-6-(2,6-dimethyl-piperidi...)
Show SMILES CC1CCCC(C)N1Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H25ClN6O4/c1-8-4-3-5-9(2)24(8)22-14-11-15(21-17(18)20-14)23(7-19-11)16-13(27)12(26)10(6-25)28-16/h7-10,12-13,16,25-27H,3-6H2,1-2H3,(H,20,21,22)/t8?,9?,10-,12-,13-,16-/m1/s1
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33n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of adenosine A2 receptor binding to rat brain


Bioorg Med Chem Lett 3: 2661-2666 (1993)

More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-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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37n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for Adenosine A2 receptor determined by [3H]NECA binding to rat striatal membranes


Bioorg Med Chem Lett 1: 481-486 (1991)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50011840
PNG
(1-Methyl-8-phenyl-3-propyl-3,7-dihydro-purine-2,6-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1
Show InChI InChI=1S/C15H16N4O2/c1-3-9-19-13-11(14(20)18(2)15(19)21)16-12(17-13)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,16,17)
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93n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity towards adenosine A2 receptor


Bioorg Med Chem Lett 2: 1199-1200 (1992)

More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM82025
PNG
(1,3-Dipropyl-8-phenylxanthine | 8-Phenyl-1,3-dipro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccccc1
Show InChI InChI=1S/C17H20N4O2/c1-3-10-20-15-13(16(22)21(11-4-2)17(20)23)18-14(19-15)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,18,19)
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116n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity towards adenosine A2 receptor


Bioorg Med Chem Lett 2: 1199-1200 (1992)

More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50281130
PNG
((2R,3R,4S,5R)-2-[6-(4-Benzenesulfonyl-piperidin-1-...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCC(CC3)S(=O)(=O)c3ccccc3)nc(Cl)nc12
Show InChI InChI=1S/C21H25ClN6O6S/c22-21-24-18(15-19(25-21)28(11-23-15)20-17(31)16(30)14(10-29)34-20)26-27-8-6-13(7-9-27)35(32,33)12-4-2-1-3-5-12/h1-5,11,13-14,16-17,20,29-31H,6-10H2,(H,24,25,26)/t14-,16-,17-,20-/m1/s1
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220n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of adenosine A2 receptor binding to rat brain


Bioorg Med Chem Lett 3: 2661-2666 (1993)

More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-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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321n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of adenosine A2 receptor binding to rat brain


Bioorg Med Chem Lett 3: 2661-2666 (1993)

More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM82031
PNG
(2-Oxoado (isoguanosine) | CAS_1818-71-9 | isoguano...)
Show SMILES Nc1[nH]c(=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H13N5O5/c11-7-4-8(14-10(19)13-7)15(2-12-4)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1
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331n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for Adenosine A2 receptor determined by [3H]NECA binding to rat striatal membranes


Bioorg Med Chem Lett 1: 481-486 (1991)

More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50009552
PNG
(2-[6-Amino-2-(2-morpholin-4-yl-ethylamino)-purin-9...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)ncnc12
Show InChI InChI=1S/C16H23N5O4/c22-6-10-12(23)13(24)16(25-10)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-1-3-5-9/h7-10,12-13,16,22-24H,1-6H2,(H,17,18,20)/t10-,12-,13-,16-/m1/s1
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363n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for Adenosine A2 receptor determined by [3H]NECA binding to rat striatal membranes


Bioorg Med Chem Lett 1: 481-486 (1991)

More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50281151
PNG
((2R,3R,4S,5R)-2-[2-Chloro-6-((R)-2-methoxymethyl-p...)
Show SMILES COC[C@H]1CCCN1Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H23ClN6O5/c1-27-6-8-3-2-4-23(8)21-13-10-14(20-16(17)19-13)22(7-18-10)15-12(26)11(25)9(5-24)28-15/h7-9,11-12,15,24-26H,2-6H2,1H3,(H,19,20,21)/t8-,9-,11-,12-,15-/m1/s1
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459n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of adenosine A2 receptor binding to rat brain


Bioorg Med Chem Lett 3: 2661-2666 (1993)

More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-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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462n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for Adenosine A2 receptor determined by [3H]NECA binding to rat striatal membranes


Bioorg Med Chem Lett 1: 481-486 (1991)

More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50281137
PNG
((2R,3R,4S,5R)-2-[2-Chloro-6-(4-phenylsulfanyl-pipe...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCC(CC3)Sc3ccccc3)nc(Cl)nc12
Show InChI InChI=1S/C21H25ClN6O4S/c22-21-24-18(26-27-8-6-13(7-9-27)33-12-4-2-1-3-5-12)15-19(25-21)28(11-23-15)20-17(31)16(30)14(10-29)32-20/h1-5,11,13-14,16-17,20,29-31H,6-10H2,(H,24,25,26)/t14-,16-,17-,20-/m1/s1
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470n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of adenosine A2 receptor binding to rat brain


Bioorg Med Chem Lett 3: 2661-2666 (1993)

More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50011834
PNG
(3-Methyl-8-phenyl-1-propyl-3,7-dihydro-purine-2,6-...)
Show SMILES CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1ccccc1
Show InChI InChI=1S/C15H16N4O2/c1-3-9-19-14(20)11-13(18(2)15(19)21)17-12(16-11)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,16,17)
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553n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity towards adenosine A2 receptor


Bioorg Med Chem Lett 2: 1199-1200 (1992)

More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50281142
PNG
((2R,3R,4S,5R)-2-[2-Chloro-6-((S)-2-methoxymethyl-p...)
Show SMILES COC[C@@H]1CCCN1Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H23ClN6O5/c1-27-6-8-3-2-4-23(8)21-13-10-14(20-16(17)19-13)22(7-18-10)15-12(26)11(25)9(5-24)28-15/h7-9,11-12,15,24-26H,2-6H2,1H3,(H,19,20,21)/t8-,9+,11+,12+,15+/m0/s1
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564n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of adenosine A2 receptor binding to rat brain


Bioorg Med Chem Lett 3: 2661-2666 (1993)

More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50449566
PNG
(CHEMBL414174)
Show SMILES Cc1[nH]cnc1CCC(=O)N1CC(C)(C)c2ccccc12
Show InChI InChI=1S/C17H21N3O/c1-12-14(19-11-18-12)8-9-16(21)20-10-17(2,3)13-6-4-5-7-15(13)20/h4-7,11H,8-10H2,1-3H3,(H,18,19)
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631n/an/an/an/an/an/an/an/a


TBA

Assay Description
Affinity at Alpha-2 adrenergic receptor in rat brain


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50281131
PNG
((2R,3R,4S,5R)-2-[2-Chloro-6-(4-phenyl-3,6-dihydro-...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCC(=CC3)c3ccccc3)nc(Cl)nc12
Show InChI InChI=1S/C21H23ClN6O4/c22-21-24-18(26-27-8-6-13(7-9-27)12-4-2-1-3-5-12)15-19(25-21)28(11-23-15)20-17(31)16(30)14(10-29)32-20/h1-6,11,14,16-17,20,29-31H,7-10H2,(H,24,25,26)/t14-,16-,17-,20-/m1/s1
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638n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of adenosine A2 receptor binding to rat brain


Bioorg Med Chem Lett 3: 2661-2666 (1993)

More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM82015
PNG
(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1
Show InChI InChI=1S/C13H12N4O2/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,15)
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644n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity towards adenosine A2 receptor


Bioorg Med Chem Lett 2: 1199-1200 (1992)

More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-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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667n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of adenosine A2 receptor binding to rat brain


Bioorg Med Chem Lett 3: 2661-2666 (1993)

More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50281133
PNG
((2R,3R,4S,5R)-2-[2-Chloro-6-(3-hydroxy-piperidin-1...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCC(O)C3)nc(Cl)nc12
Show InChI InChI=1S/C15H21ClN6O5/c16-15-18-12(20-21-3-1-2-7(24)4-21)9-13(19-15)22(6-17-9)14-11(26)10(25)8(5-23)27-14/h6-8,10-11,14,23-26H,1-5H2,(H,18,19,20)/t7?,8-,10-,11-,14-/m1/s1
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720n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of adenosine A2 receptor binding to rat brain


Bioorg Med Chem Lett 3: 2661-2666 (1993)

More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50281138
PNG
((2R,3R,4S,5R)-2-[2-Chloro-6-(morpholin-4-ylamino)-...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCOCC3)nc(Cl)nc12
Show InChI InChI=1S/C14H19ClN6O5/c15-14-17-11(19-20-1-3-25-4-2-20)8-12(18-14)21(6-16-8)13-10(24)9(23)7(5-22)26-13/h6-7,9-10,13,22-24H,1-5H2,(H,17,18,19)/t7-,9-,10-,13-/m1/s1
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1.04E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of adenosine A2 receptor binding to rat brain


Bioorg Med Chem Lett 3: 2661-2666 (1993)

More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50281152
PNG
((2R,3R,4S,5R)-2-[2-Fluoro-6-(piperidin-1-ylamino)-...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCCC3)nc(F)nc12
Show InChI InChI=1S/C15H21FN6O4/c16-15-18-12(20-21-4-2-1-3-5-21)9-13(19-15)22(7-17-9)14-11(25)10(24)8(6-23)26-14/h7-8,10-11,14,23-25H,1-6H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1
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1.05E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of adenosine A2 receptor binding to rat brain


Bioorg Med Chem Lett 3: 2661-2666 (1993)

More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50281132
PNG
((2R,3R,4S,5R)-2-[2-Chloro-6-(4-phenoxy-piperidin-1...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCC(CC3)Oc3ccccc3)nc(Cl)nc12
Show InChI InChI=1S/C21H25ClN6O5/c22-21-24-18(26-27-8-6-13(7-9-27)32-12-4-2-1-3-5-12)15-19(25-21)28(11-23-15)20-17(31)16(30)14(10-29)33-20/h1-5,11,13-14,16-17,20,29-31H,6-10H2,(H,24,25,26)/t14-,16-,17-,20-/m1/s1
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1.10E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of adenosine A2 receptor binding to rat brain


Bioorg Med Chem Lett 3: 2661-2666 (1993)

More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50281144
PNG
((2R,3R,4S,5R)-2-[6-(Azepan-1-ylamino)-2-chloro-pur...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCCCC3)nc(Cl)nc12
Show InChI InChI=1S/C16H23ClN6O4/c17-16-19-13(21-22-5-3-1-2-4-6-22)10-14(20-16)23(8-18-10)15-12(26)11(25)9(7-24)27-15/h8-9,11-12,15,24-26H,1-7H2,(H,19,20,21)/t9-,11-,12-,15-/m1/s1
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1.13E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of adenosine A2 receptor binding to rat brain


Bioorg Med Chem Lett 3: 2661-2666 (1993)

More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50281150
PNG
((2R,3R,4S,5R)-2-[2-Chloro-6-(4-phenyl-piperidin-1-...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCC(CC3)c3ccccc3)nc(Cl)nc12
Show InChI InChI=1S/C21H25ClN6O4/c22-21-24-18(26-27-8-6-13(7-9-27)12-4-2-1-3-5-12)15-19(25-21)28(11-23-15)20-17(31)16(30)14(10-29)32-20/h1-5,11,13-14,16-17,20,29-31H,6-10H2,(H,24,25,26)/t14-,16-,17-,20-/m1/s1
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1.20E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of adenosine A2 receptor binding to rat brain


Bioorg Med Chem Lett 3: 2661-2666 (1993)

More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50281139
PNG
((2R,3R,4S,5R)-2-[2-Chloro-6-(3-phenylsulfanyl-pipe...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCC(C3)Sc3ccccc3)nc(Cl)nc12
Show InChI InChI=1S/C21H25ClN6O4S/c22-21-24-18(26-27-8-4-7-13(9-27)33-12-5-2-1-3-6-12)15-19(25-21)28(11-23-15)20-17(31)16(30)14(10-29)32-20/h1-3,5-6,11,13-14,16-17,20,29-31H,4,7-10H2,(H,24,25,26)/t13?,14-,16-,17-,20-/m1/s1
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1.38E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of adenosine A2 receptor binding to rat brain


Bioorg Med Chem Lett 3: 2661-2666 (1993)

More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50080400
PNG
((2R,3R,4S,5R)-2-[2-Chloro-6-(piperidin-1-ylamino)-...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCCC3)nc(Cl)nc12
Show InChI InChI=1S/C15H21ClN6O4/c16-15-18-12(20-21-4-2-1-3-5-21)9-13(19-15)22(7-17-9)14-11(25)10(24)8(6-23)26-14/h7-8,10-11,14,23-25H,1-6H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1
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1.49E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of adenosine A2 receptor binding to rat brain


Bioorg Med Chem Lett 3: 2661-2666 (1993)

More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50281140
PNG
((2R,3R,4S,5R)-2-[2-Bromo-6-(piperidin-1-ylamino)-p...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCCC3)nc(Br)nc12
Show InChI InChI=1S/C15H21BrN6O4/c16-15-18-12(20-21-4-2-1-3-5-21)9-13(19-15)22(7-17-9)14-11(25)10(24)8(6-23)26-14/h7-8,10-11,14,23-25H,1-6H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1
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1.52E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of adenosine A2 receptor binding to rat brain


Bioorg Med Chem Lett 3: 2661-2666 (1993)

More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50281148
PNG
((2R,3R,4S,5R)-2-[2-Chloro-6-(3-phenoxy-piperidin-1...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCC(C3)Oc3ccccc3)nc(Cl)nc12
Show InChI InChI=1S/C21H25ClN6O5/c22-21-24-18(26-27-8-4-7-13(9-27)32-12-5-2-1-3-6-12)15-19(25-21)28(11-23-15)20-17(31)16(30)14(10-29)33-20/h1-3,5-6,11,13-14,16-17,20,29-31H,4,7-10H2,(H,24,25,26)/t13?,14-,16-,17-,20-/m1/s1
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1.73E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of adenosine A2 receptor binding to rat brain


Bioorg Med Chem Lett 3: 2661-2666 (1993)

More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50281146
PNG
((2R,3S,4R,5R)-2-Hydroxymethyl-5-[6-(piperidin-1-yl...)
Show SMILES CCCOc1nc(NN2CCCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C18H28N6O5/c1-2-8-28-18-20-15(22-23-6-4-3-5-7-23)12-16(21-18)24(10-19-12)17-14(27)13(26)11(9-25)29-17/h10-11,13-14,17,25-27H,2-9H2,1H3,(H,20,21,22)/t11-,13-,14-,17-/m1/s1
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2.70E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of adenosine A2 receptor binding to rat brain


Bioorg Med Chem Lett 3: 2661-2666 (1993)

More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50281149
PNG
((2R,3S,4R,5R)-2-Hydroxymethyl-5-[2-methylsulfanyl-...)
Show SMILES CSc1nc(NN2CCCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H24N6O4S/c1-27-16-18-13(20-21-5-3-2-4-6-21)10-14(19-16)22(8-17-10)15-12(25)11(24)9(7-23)26-15/h8-9,11-12,15,23-25H,2-7H2,1H3,(H,18,19,20)/t9-,11-,12-,15-/m1/s1
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2.83E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of adenosine A2 receptor binding to rat brain


Bioorg Med Chem Lett 3: 2661-2666 (1993)

More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50281141
PNG
((2R,3R,4S,5R)-2-[2-Amino-6-(piperidin-1-ylamino)-p...)
Show SMILES Nc1nc(NN2CCCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C15H23N7O4/c16-15-18-12(20-21-4-2-1-3-5-21)9-13(19-15)22(7-17-9)14-11(25)10(24)8(6-23)26-14/h7-8,10-11,14,23-25H,1-6H2,(H3,16,18,19,20)/t8-,10-,11-,14-/m1/s1
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3.32E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of adenosine A2 receptor binding to rat brain


Bioorg Med Chem Lett 3: 2661-2666 (1993)

More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50366541
PNG
(CHEMBL612203)
Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCNS(=O)(=O)c3cccc4c(cccc34)N(C)C)ncnc12
Show InChI InChI=1S/C30H40N8O6S/c1-4-31-29(41)26-24(39)25(40)30(44-26)38-18-35-23-27(33-17-34-28(23)38)32-15-7-5-6-8-16-36-45(42,43)22-14-10-11-19-20(22)12-9-13-21(19)37(2)3/h9-14,17-18,24-26,30,36,39-40H,4-8,15-16H2,1-3H3,(H,31,41)(H,32,33,34)/t24-,25+,26-,30?/m0/s1
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4.30E+3n/an/an/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2 receptor of rat striatal membrane using [3H]CGS-21680


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50366543
PNG
(CHEMBL609225)
Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCCNS(=O)(=O)c3cccc4c(cccc34)N(C)C)ncnc12
Show InChI InChI=1S/C27H34N8O6S/c1-4-28-26(38)23-21(36)22(37)27(41-23)35-15-32-20-24(30-14-31-25(20)35)29-12-7-13-33-42(39,40)19-11-6-8-16-17(19)9-5-10-18(16)34(2)3/h5-6,8-11,14-15,21-23,27,33,36-37H,4,7,12-13H2,1-3H3,(H,28,38)(H,29,30,31)/t21-,22+,23-,27?/m0/s1
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4.30E+3n/an/an/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2 receptor of rat striatal membrane using [3H]CGS-21680


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50281134
PNG
((2R,3R,4S,5R)-2-[2-Chloro-6-(4-phenyl-piperazin-1-...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCN(CC3)c3ccccc3)nc(Cl)nc12
Show InChI InChI=1S/C20H24ClN7O4/c21-20-23-17(25-27-8-6-26(7-9-27)12-4-2-1-3-5-12)14-18(24-20)28(11-22-14)19-16(31)15(30)13(10-29)32-19/h1-5,11,13,15-16,19,29-31H,6-10H2,(H,23,24,25)/t13-,15-,16-,19-/m1/s1
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5.57E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of adenosine A2 receptor binding to rat brain


Bioorg Med Chem Lett 3: 2661-2666 (1993)

More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50366246
PNG
(CHEMBL607606)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCC3)[nH]c(=O)nc12
Show InChI InChI=1S/C17H25N5O5/c23-7-10-12(24)13(25)16(27-10)22-8-18-11-14(20-17(26)21-15(11)22)19-9-5-3-1-2-4-6-9/h8-10,12-13,16,23-25H,1-7H2,(H2,19,20,21,26)/t10-,12-,13-,16?/m1/s1
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6.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for Adenosine A2 receptor determined by [3H]NECA binding to rat striatal membranes


Bioorg Med Chem Lett 1: 481-486 (1991)

More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50366247
PNG
(CHEMBL608168)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)[nH]c(=O)nc12
Show InChI InChI=1S/C15H21N5O5/c21-5-8-10(22)11(23)14(25-8)20-6-16-9-12(17-7-3-1-2-4-7)18-15(24)19-13(9)20/h6-8,10-11,14,21-23H,1-5H2,(H2,17,18,19,24)/t8-,10-,11-,14?/m1/s1
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7.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for Adenosine A2 receptor determined by [3H]NECA binding to rat striatal membranes


Bioorg Med Chem Lett 1: 481-486 (1991)

More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50366542
PNG
(CHEMBL609525)
Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCCCNS(=O)(=O)c3cccc4c(cccc34)N(C)C)ncnc12
Show InChI InChI=1S/C28H36N8O6S/c1-4-29-27(39)24-22(37)23(38)28(42-24)36-16-33-21-25(31-15-32-26(21)36)30-13-5-6-14-34-43(40,41)20-12-8-9-17-18(20)10-7-11-19(17)35(2)3/h7-12,15-16,22-24,28,34,37-38H,4-6,13-14H2,1-3H3,(H,29,39)(H,30,31,32)/t22-,23+,24-,28?/m0/s1
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9.50E+3n/an/an/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2 receptor of rat striatal membrane using [3H]CGS-21680


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50366540
PNG
(CHEMBL610121)
Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCCCCCNS(=O)(=O)c3cccc4c(cccc34)N(C)C)ncnc12
Show InChI InChI=1S/C34H48N8O6S/c1-4-35-33(45)30-28(43)29(44)34(48-30)42-22-39-27-31(37-21-38-32(27)42)36-19-11-9-7-5-6-8-10-12-20-40-49(46,47)26-18-14-15-23-24(26)16-13-17-25(23)41(2)3/h13-18,21-22,28-30,34,40,43-44H,4-12,19-20H2,1-3H3,(H,35,45)(H,36,37,38)/t28-,29+,30-,34?/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2 receptor of rat striatal membrane using [3H]CGS-21680


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50366923
PNG
(CHEMBL1794855)
Show SMILES CCN(C)C1CCCc2ccncc12
Show InChI InChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-7-8-13-9-11(10)12/h7-9,12H,3-6H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity towards human adenosine A2 receptor


Bioorg Med Chem Lett 14: 3651-4 (2004)

More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50180054
PNG
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)
Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1
Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to adenosine A2 receptor


J Med Chem 49: 125-34 (2006)

More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50182020
PNG
(2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-m...)
Show SMILES COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to adenosine A2 receptor by radioligand binding assay


Bioorg Med Chem Lett 16: 2101-4 (2006)

More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50366544
PNG
(CHEMBL608044)
Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCCCCCCCNS(=O)(=O)c3cccc4c(cccc34)N(C)C)ncnc12
Show InChI InChI=1S/C36H52N8O6S/c1-4-37-35(47)32-30(45)31(46)36(50-32)44-24-41-29-33(39-23-40-34(29)44)38-21-13-11-9-7-5-6-8-10-12-14-22-42-51(48,49)28-20-16-17-25-26(28)18-15-19-27(25)43(2)3/h15-20,23-24,30-32,36,42,45-46H,4-14,21-22H2,1-3H3,(H,37,47)(H,38,39,40)/t30-,31+,32-,36?/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2 receptor of rat striatal membrane using [3H]CGS-21680


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50366539
PNG
(CHEMBL611272)
Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCCCNS(=O)(=O)c3cccc4c(cccc34)N(C)C)ncnc12
Show InChI InChI=1S/C32H44N8O6S/c1-4-33-31(43)28-26(41)27(42)32(46-28)40-20-37-25-29(35-19-36-30(25)40)34-17-9-7-5-6-8-10-18-38-47(44,45)24-16-12-13-21-22(24)14-11-15-23(21)39(2)3/h11-16,19-20,26-28,32,38,41-42H,4-10,17-18H2,1-3H3,(H,33,43)(H,34,35,36)/t26-,27+,28-,32?/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2 receptor of rat striatal membrane using [3H]CGS-21680


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50281135
PNG
((2R,3S,4R,5R)-2-Hydroxymethyl-5-[6-(piperidin-1-yl...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCCC3)ncnc12
Show InChI InChI=1S/C15H22N6O4/c22-6-9-11(23)12(24)15(25-9)21-8-18-10-13(16-7-17-14(10)21)19-20-4-2-1-3-5-20/h7-9,11-12,15,22-24H,1-6H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of adenosine A2 receptor binding to rat brain


Bioorg Med Chem Lett 3: 2661-2666 (1993)

More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50366244
PNG
(CHEMBL608445)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC3)[nH]c(=O)nc12
Show InChI InChI=1S/C14H19N5O5/c20-4-7-9(21)10(22)13(24-7)19-5-15-8-11(16-6-2-1-3-6)17-14(23)18-12(8)19/h5-7,9-10,13,20-22H,1-4H2,(H2,16,17,18,23)/t7-,9-,10-,13?/m1/s1
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1.50E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for Adenosine A2 receptor determined by [3H]NECA binding to rat striatal membranes


Bioorg Med Chem Lett 1: 481-486 (1991)

More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50366243
PNG
(CHEMBL608747)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)[nH]c(=O)nc12
Show InChI InChI=1S/C16H23N5O5/c22-6-9-11(23)12(24)15(26-9)21-7-17-10-13(19-16(25)20-14(10)21)18-8-4-2-1-3-5-8/h7-9,11-12,15,22-24H,1-6H2,(H2,18,19,20,25)/t9-,11-,12-,15?/m1/s1
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1.50E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for Adenosine A2 receptor determined by [3H]NECA binding to rat striatal membranes


Bioorg Med Chem Lett 1: 481-486 (1991)

More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50281147
PNG
((2R,3R,4S,5R)-2-[2-Chloro-6-(4-methyl-piperazin-1-...)
Show SMILES CN1CCN(CC1)Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C15H22ClN7O4/c1-21-2-4-22(5-3-21)20-12-9-13(19-15(16)18-12)23(7-17-9)14-11(26)10(25)8(6-24)27-14/h7-8,10-11,14,24-26H,2-6H2,1H3,(H,18,19,20)/t8-,10-,11-,14-/m1/s1
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>3.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of adenosine A2 receptor binding to rat brain


Bioorg Med Chem Lett 3: 2661-2666 (1993)

More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50366245
PNG
(CHEMBL607881)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(I)nc12
Show InChI InChI=1S/C15H20IN5O4/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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4.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for Adenosine A2 receptor determined by [3H]NECA binding to rat striatal membranes


Bioorg Med Chem Lett 1: 481-486 (1991)

More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50281136
PNG
((2R,3S,4R,5R)-2-Hydroxymethyl-5-[2-iodo-6-(pyrroli...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NN3CCCC3)nc(I)nc12
Show InChI InChI=1S/C14H19IN6O4/c15-14-17-11(19-20-3-1-2-4-20)8-12(18-14)21(6-16-8)13-10(24)9(23)7(5-22)25-13/h6-7,9-10,13,22-24H,1-5H2,(H,17,18,19)/t7-,9-,10-,13-/m1/s1
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5.70E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of adenosine A2 receptor binding to rat brain


Bioorg Med Chem Lett 3: 2661-2666 (1993)

More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50366248
PNG
(CHEMBL608742)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CC4CCC3C4)[nH]c(=O)nc12
Show InChI InChI=1S/C17H23N5O5/c23-5-10-12(24)13(25)16(27-10)22-6-18-11-14(20-17(26)21-15(11)22)19-9-4-7-1-2-8(9)3-7/h6-10,12-13,16,23-25H,1-5H2,(H2,19,20,21,26)/t7?,8?,9?,10-,12-,13-,16?/m1/s1
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8.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for Adenosine A2 receptor determined by [3H]NECA binding to rat striatal membranes


Bioorg Med Chem Lett 1: 481-486 (1991)

More data for this
Ligand-Target Pair
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