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26 similar compounds to monomer 50112193

Compile data set for download or QSAR
Wt: 480.5
BDBM50454665
Wt: 483.4
BDBM50454668
Wt: 494.5
BDBM50454669
Wt: 438.4
BDBM50454673
Wt: 507.3
BDBM50454674
Wt: 370.3
BDBM50454675
Wt: 472.9
BDBM50454666
Wt: 466.5
BDBM50454667
Wt: 452.5
BDBM50060835
Wt: 468.5
BDBM50060840
Wt: 452.5
BDBM50060845
Wt: 486.6
BDBM50060847
Wt: 504.6
BDBM50112184
Wt: 464.5
BDBM50112185
Wt: 470.5
BDBM50112187
Displayed 1 to 15 (of 26 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 42 hits for monomerid = 50454665,50454668,50454669,50454673,50454674,50454675,50454666,50454667,50060835,50060840,50060845,50060847,50112184,50112185,50112187   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50112187
PNG
(CHEMBL296399 | N-[5-(6-Cyclopentylamino-purin-9-yl...)
Show SMILES C[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)CCCc1cccs1)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C23H30N6O3S/c1-14-18(28-17(30)10-4-8-16-9-5-11-33-16)20(31)23(32-14)29-13-26-19-21(24-12-25-22(19)29)27-15-6-2-3-7-15/h5,9,11-15,18,20,23,31H,2-4,6-8,10H2,1H3,(H,28,30)(H,24,25,27)/t14-,18+,20-,23-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
GTP-induced shift at rat Adenosine A1 receptor (A1AR)


J Med Chem 45: 1845-52 (2002)


Article DOI: 10.1021/jm0110439
BindingDB Entry DOI: 10.7270/Q20001DD
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50112184
PNG
(1-Phenyl-cyclohexanecarboxylic acid [5-(6-cyclopen...)
Show SMILES C[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)C1(CCCCC1)c1ccccc1)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C28H36N6O3/c1-18-21(33-27(36)28(14-8-3-9-15-28)19-10-4-2-5-11-19)23(35)26(37-18)34-17-31-22-24(29-16-30-25(22)34)32-20-12-6-7-13-20/h2,4-5,10-11,16-18,20-21,23,26,35H,3,6-9,12-15H2,1H3,(H,33,36)(H,29,30,32)/t18-,21+,23-,26-/m1/s1
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0.740n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
GTP-induced shift at rat Adenosine A1 receptor (A1AR)


J Med Chem 45: 1845-52 (2002)


Article DOI: 10.1021/jm0110439
BindingDB Entry DOI: 10.7270/Q20001DD
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50454674
PNG
(CHEMBL2112630)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)c1ccc(Cl)c(Cl)c1)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C22H24Cl2N6O4/c23-13-6-5-11(7-14(13)24)21(33)29-16-15(8-31)34-22(18(16)32)30-10-27-17-19(25-9-26-20(17)30)28-12-3-1-2-4-12/h5-7,9-10,12,15-16,18,22,31-32H,1-4,8H2,(H,29,33)(H,25,26,28)/t15-,16+,18-,22-/m1/s1
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24n/an/an/an/an/an/an/an/a



University of Ghent

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor was determined, in the presence of GTP in rat brain cortex


J Med Chem 40: 3765-72 (1997)


Article DOI: 10.1021/jm970176k
BindingDB Entry DOI: 10.7270/Q2RF5VP4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50454674
PNG
(CHEMBL2112630)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)c1ccc(Cl)c(Cl)c1)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C22H24Cl2N6O4/c23-13-6-5-11(7-14(13)24)21(33)29-16-15(8-31)34-22(18(16)32)30-10-27-17-19(25-9-26-20(17)30)28-12-3-1-2-4-12/h5-7,9-10,12,15-16,18,22,31-32H,1-4,8H2,(H,29,33)(H,25,26,28)/t15-,16+,18-,22-/m1/s1
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33n/an/an/an/an/an/an/an/a



University of Ghent

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor was determined, in the absence of GTP in rat cortical membrane.


J Med Chem 40: 3765-72 (1997)


Article DOI: 10.1021/jm970176k
BindingDB Entry DOI: 10.7270/Q2RF5VP4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50112187
PNG
(CHEMBL296399 | N-[5-(6-Cyclopentylamino-purin-9-yl...)
Show SMILES C[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)CCCc1cccs1)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C23H30N6O3S/c1-14-18(28-17(30)10-4-8-16-9-5-11-33-16)20(31)23(32-14)29-13-26-19-21(24-12-25-22(19)29)27-15-6-2-3-7-15/h5,9,11-15,18,20,23,31H,2-4,6-8,10H2,1H3,(H,28,30)(H,24,25,27)/t14-,18+,20-,23-/m1/s1
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38n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Binding affinity at rat Adenosine A1 receptor in the presence of GTP


J Med Chem 45: 1845-52 (2002)


Article DOI: 10.1021/jm0110439
BindingDB Entry DOI: 10.7270/Q20001DD
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50112187
PNG
(CHEMBL296399 | N-[5-(6-Cyclopentylamino-purin-9-yl...)
Show SMILES C[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)CCCc1cccs1)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C23H30N6O3S/c1-14-18(28-17(30)10-4-8-16-9-5-11-33-16)20(31)23(32-14)29-13-26-19-21(24-12-25-22(19)29)27-15-6-2-3-7-15/h5,9,11-15,18,20,23,31H,2-4,6-8,10H2,1H3,(H,28,30)(H,24,25,27)/t14-,18+,20-,23-/m1/s1
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55n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Binding affinity at rat Adenosine A1 receptor in the absence of GTP


J Med Chem 45: 1845-52 (2002)


Article DOI: 10.1021/jm0110439
BindingDB Entry DOI: 10.7270/Q20001DD
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50454666
PNG
(CHEMBL2112627)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)c1ccc(Cl)cc1)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C22H25ClN6O4/c23-13-7-5-12(6-8-13)21(32)28-16-15(9-30)33-22(18(16)31)29-11-26-17-19(24-10-25-20(17)29)27-14-3-1-2-4-14/h5-8,10-11,14-16,18,22,30-31H,1-4,9H2,(H,28,32)(H,24,25,27)/t15-,16+,18-,22-/m1/s1
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81n/an/an/an/an/an/an/an/a



University of Ghent

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor was determined, in the presence of GTP in rat brain cortex


J Med Chem 40: 3765-72 (1997)


Article DOI: 10.1021/jm970176k
BindingDB Entry DOI: 10.7270/Q2RF5VP4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50060845
PNG
(CHEMBL122746 | N-[(R)-5-(6-Cyclopentylamino-purin-...)
Show SMILES Cc1ccc(cc1)C(=O)N[C@H]1C(CO)OC(C1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C23H28N6O4/c1-13-6-8-14(9-7-13)22(32)28-17-16(10-30)33-23(19(17)31)29-12-26-18-20(24-11-25-21(18)29)27-15-4-2-3-5-15/h6-9,11-12,15-17,19,23,30-31H,2-5,10H2,1H3,(H,28,32)(H,24,25,27)/t16?,17-,19?,23?/m0/s1
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83n/an/an/an/an/an/an/an/a



University of Ghent

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor was determined, in the absence of GTP in rat cortical membrane.


J Med Chem 40: 3765-72 (1997)


Article DOI: 10.1021/jm970176k
BindingDB Entry DOI: 10.7270/Q2RF5VP4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50060845
PNG
(CHEMBL122746 | N-[(R)-5-(6-Cyclopentylamino-purin-...)
Show SMILES Cc1ccc(cc1)C(=O)N[C@H]1C(CO)OC(C1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C23H28N6O4/c1-13-6-8-14(9-7-13)22(32)28-17-16(10-30)33-23(19(17)31)29-12-26-18-20(24-11-25-21(18)29)27-15-4-2-3-5-15/h6-9,11-12,15-17,19,23,30-31H,2-5,10H2,1H3,(H,28,32)(H,24,25,27)/t16?,17-,19?,23?/m0/s1
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83n/an/an/an/an/an/an/an/a



University of Ghent

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor was determined, in the absence of GTP in rat cortical membrane.


J Med Chem 40: 3765-72 (1997)


Article DOI: 10.1021/jm970176k
BindingDB Entry DOI: 10.7270/Q2RF5VP4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50454665
PNG
(CHEMBL2112626)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)CCCc1ccccc1)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C25H32N6O4/c32-13-18-20(30-19(33)12-6-9-16-7-2-1-3-8-16)22(34)25(35-18)31-15-28-21-23(26-14-27-24(21)31)29-17-10-4-5-11-17/h1-3,7-8,14-15,17-18,20,22,25,32,34H,4-6,9-13H2,(H,30,33)(H,26,27,29)/t18-,20+,22-,25-/m1/s1
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100n/an/an/an/an/an/an/an/a



University of Ghent

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor was determined, in the presence of GTP in rat brain cortex


J Med Chem 40: 3765-72 (1997)


Article DOI: 10.1021/jm970176k
BindingDB Entry DOI: 10.7270/Q2RF5VP4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50454666
PNG
(CHEMBL2112627)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)c1ccc(Cl)cc1)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C22H25ClN6O4/c23-13-7-5-12(6-8-13)21(32)28-16-15(9-30)33-22(18(16)31)29-11-26-17-19(24-10-25-20(17)29)27-14-3-1-2-4-14/h5-8,10-11,14-16,18,22,30-31H,1-4,9H2,(H,28,32)(H,24,25,27)/t15-,16+,18-,22-/m1/s1
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110n/an/an/an/an/an/an/an/a



University of Ghent

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor was determined, in the absence of GTP in rat cortical membrane.


J Med Chem 40: 3765-72 (1997)


Article DOI: 10.1021/jm970176k
BindingDB Entry DOI: 10.7270/Q2RF5VP4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50060840
PNG
(CHEMBL340299 | N-[(R)-5-(6-Cyclopentylamino-purin-...)
Show SMILES COc1ccc(cc1)C(=O)N[C@H]1C(CO)OC(C1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C23H28N6O5/c1-33-15-8-6-13(7-9-15)22(32)28-17-16(10-30)34-23(19(17)31)29-12-26-18-20(24-11-25-21(18)29)27-14-4-2-3-5-14/h6-9,11-12,14,16-17,19,23,30-31H,2-5,10H2,1H3,(H,28,32)(H,24,25,27)/t16?,17-,19?,23?/m0/s1
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130n/an/an/an/an/an/an/an/a



University of Ghent

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor was determined, in the presence of GTP in rat brain cortex


J Med Chem 40: 3765-72 (1997)


Article DOI: 10.1021/jm970176k
BindingDB Entry DOI: 10.7270/Q2RF5VP4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50454665
PNG
(CHEMBL2112626)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)CCCc1ccccc1)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C25H32N6O4/c32-13-18-20(30-19(33)12-6-9-16-7-2-1-3-8-16)22(34)25(35-18)31-15-28-21-23(26-14-27-24(21)31)29-17-10-4-5-11-17/h1-3,7-8,14-15,17-18,20,22,25,32,34H,4-6,9-13H2,(H,30,33)(H,26,27,29)/t18-,20+,22-,25-/m1/s1
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130n/an/an/an/an/an/an/an/a



University of Ghent

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor was determined, in the absence of GTP in rat cortical membrane.


J Med Chem 40: 3765-72 (1997)


Article DOI: 10.1021/jm970176k
BindingDB Entry DOI: 10.7270/Q2RF5VP4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50060847
PNG
(4-Cyclohexyl-N-[(R)-5-(6-cyclopentylamino-purin-9-...)
Show SMILES OCC1OC(C(O)[C@H]1NC(=O)CCCC1CCCCC1)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C25H38N6O4/c32-13-18-20(30-19(33)12-6-9-16-7-2-1-3-8-16)22(34)25(35-18)31-15-28-21-23(26-14-27-24(21)31)29-17-10-4-5-11-17/h14-18,20,22,25,32,34H,1-13H2,(H,30,33)(H,26,27,29)/t18?,20-,22?,25?/m0/s1
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150n/an/an/an/an/an/an/an/a



University of Ghent

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor was determined, in the presence of GTP in rat brain cortex


J Med Chem 40: 3765-72 (1997)


Article DOI: 10.1021/jm970176k
BindingDB Entry DOI: 10.7270/Q2RF5VP4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50060847
PNG
(4-Cyclohexyl-N-[(R)-5-(6-cyclopentylamino-purin-9-...)
Show SMILES OCC1OC(C(O)[C@H]1NC(=O)CCCC1CCCCC1)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C25H38N6O4/c32-13-18-20(30-19(33)12-6-9-16-7-2-1-3-8-16)22(34)25(35-18)31-15-28-21-23(26-14-27-24(21)31)29-17-10-4-5-11-17/h14-18,20,22,25,32,34H,1-13H2,(H,30,33)(H,26,27,29)/t18?,20-,22?,25?/m0/s1
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190n/an/an/an/an/an/an/an/a



University of Ghent

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor was determined, in the absence of GTP in rat cortical membrane.


J Med Chem 40: 3765-72 (1997)


Article DOI: 10.1021/jm970176k
BindingDB Entry DOI: 10.7270/Q2RF5VP4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50060840
PNG
(CHEMBL340299 | N-[(R)-5-(6-Cyclopentylamino-purin-...)
Show SMILES COc1ccc(cc1)C(=O)N[C@H]1C(CO)OC(C1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C23H28N6O5/c1-33-15-8-6-13(7-9-15)22(32)28-17-16(10-30)34-23(19(17)31)29-12-26-18-20(24-11-25-21(18)29)27-14-4-2-3-5-14/h6-9,11-12,14,16-17,19,23,30-31H,2-5,10H2,1H3,(H,28,32)(H,24,25,27)/t16?,17-,19?,23?/m0/s1
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200n/an/an/an/an/an/an/an/a



University of Ghent

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor was determined, in the absence of GTP in rat cortical membrane.


J Med Chem 40: 3765-72 (1997)


Article DOI: 10.1021/jm970176k
BindingDB Entry DOI: 10.7270/Q2RF5VP4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50454669
PNG
(CHEMBL2112632)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)CCCCc1ccccc1)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C26H34N6O4/c33-14-19-21(31-20(34)13-7-4-10-17-8-2-1-3-9-17)23(35)26(36-19)32-16-29-22-24(27-15-28-25(22)32)30-18-11-5-6-12-18/h1-3,8-9,15-16,18-19,21,23,26,33,35H,4-7,10-14H2,(H,31,34)(H,27,28,30)/t19-,21+,23-,26-/m1/s1
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200n/an/an/an/an/an/an/an/a



University of Ghent

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor was determined, in the presence of GTP in rat brain cortex


J Med Chem 40: 3765-72 (1997)


Article DOI: 10.1021/jm970176k
BindingDB Entry DOI: 10.7270/Q2RF5VP4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50112184
PNG
(1-Phenyl-cyclohexanecarboxylic acid [5-(6-cyclopen...)
Show SMILES C[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)C1(CCCCC1)c1ccccc1)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C28H36N6O3/c1-18-21(33-27(36)28(14-8-3-9-15-28)19-10-4-2-5-11-19)23(35)26(37-18)34-17-31-22-24(29-16-30-25(22)34)32-20-12-6-7-13-20/h2,4-5,10-11,16-18,20-21,23,26,35H,3,6-9,12-15H2,1H3,(H,33,36)(H,29,30,32)/t18-,21+,23-,26-/m1/s1
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210n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Binding affinity at rat Adenosine A1 receptor in the presence of GTP


J Med Chem 45: 1845-52 (2002)


Article DOI: 10.1021/jm0110439
BindingDB Entry DOI: 10.7270/Q20001DD
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50454669
PNG
(CHEMBL2112632)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)CCCCc1ccccc1)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C26H34N6O4/c33-14-19-21(31-20(34)13-7-4-10-17-8-2-1-3-9-17)23(35)26(36-19)32-16-29-22-24(27-15-28-25(22)32)30-18-11-5-6-12-18/h1-3,8-9,15-16,18-19,21,23,26,33,35H,4-7,10-14H2,(H,31,34)(H,27,28,30)/t19-,21+,23-,26-/m1/s1
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240n/an/an/an/an/an/an/an/a



University of Ghent

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor was determined, in the absence of GTP in rat cortical membrane.


J Med Chem 40: 3765-72 (1997)


Article DOI: 10.1021/jm970176k
BindingDB Entry DOI: 10.7270/Q2RF5VP4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50112185
PNG
(CHEMBL416117 | N-[5-(6-Cyclopentylamino-purin-9-yl...)
Show SMILES CC(C)c1ccc(cc1)C(=O)N[C@H]1[C@@H](C)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C25H32N6O3/c1-14(2)16-8-10-17(11-9-16)24(33)30-19-15(3)34-25(21(19)32)31-13-28-20-22(26-12-27-23(20)31)29-18-6-4-5-7-18/h8-15,18-19,21,25,32H,4-7H2,1-3H3,(H,30,33)(H,26,27,29)/t15-,19+,21-,25-/m1/s1
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270n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Binding affinity at rat Adenosine A1 receptor in the absence of GTP


J Med Chem 45: 1845-52 (2002)


Article DOI: 10.1021/jm0110439
BindingDB Entry DOI: 10.7270/Q20001DD
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50112184
PNG
(1-Phenyl-cyclohexanecarboxylic acid [5-(6-cyclopen...)
Show SMILES C[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)C1(CCCCC1)c1ccccc1)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C28H36N6O3/c1-18-21(33-27(36)28(14-8-3-9-15-28)19-10-4-2-5-11-19)23(35)26(37-18)34-17-31-22-24(29-16-30-25(22)34)32-20-12-6-7-13-20/h2,4-5,10-11,16-18,20-21,23,26,35H,3,6-9,12-15H2,1H3,(H,33,36)(H,29,30,32)/t18-,21+,23-,26-/m1/s1
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286n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Binding affinity at rat Adenosine A1 receptor in the absence of GTP


J Med Chem 45: 1845-52 (2002)


Article DOI: 10.1021/jm0110439
BindingDB Entry DOI: 10.7270/Q20001DD
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50454673
PNG
(CHEMBL2112620)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)c1ccccc1)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C22H26N6O4/c29-10-15-16(27-21(31)13-6-2-1-3-7-13)18(30)22(32-15)28-12-25-17-19(23-11-24-20(17)28)26-14-8-4-5-9-14/h1-3,6-7,11-12,14-16,18,22,29-30H,4-5,8-10H2,(H,27,31)(H,23,24,26)/t15-,16+,18-,22-/m1/s1
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310n/an/an/an/an/an/an/an/a



University of Ghent

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor was determined, in the presence of GTP in rat brain cortex


J Med Chem 40: 3765-72 (1997)


Article DOI: 10.1021/jm970176k
BindingDB Entry DOI: 10.7270/Q2RF5VP4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50454667
PNG
(CHEMBL2112625)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)CCc1ccccc1)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C24H30N6O4/c31-12-17-19(29-18(32)11-10-15-6-2-1-3-7-15)21(33)24(34-17)30-14-27-20-22(25-13-26-23(20)30)28-16-8-4-5-9-16/h1-3,6-7,13-14,16-17,19,21,24,31,33H,4-5,8-12H2,(H,29,32)(H,25,26,28)/t17-,19+,21-,24-/m1/s1
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350n/an/an/an/an/an/an/an/a



University of Ghent

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor was determined, in the presence of GTP in rat brain cortex


J Med Chem 40: 3765-72 (1997)


Article DOI: 10.1021/jm970176k
BindingDB Entry DOI: 10.7270/Q2RF5VP4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50454667
PNG
(CHEMBL2112625)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)CCc1ccccc1)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C24H30N6O4/c31-12-17-19(29-18(32)11-10-15-6-2-1-3-7-15)21(33)24(34-17)30-14-27-20-22(25-13-26-23(20)30)28-16-8-4-5-9-16/h1-3,6-7,13-14,16-17,19,21,24,31,33H,4-5,8-12H2,(H,29,32)(H,25,26,28)/t17-,19+,21-,24-/m1/s1
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370n/an/an/an/an/an/an/an/a



University of Ghent

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor was determined, in the absence of GTP in rat cortical membrane.


J Med Chem 40: 3765-72 (1997)


Article DOI: 10.1021/jm970176k
BindingDB Entry DOI: 10.7270/Q2RF5VP4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50454673
PNG
(CHEMBL2112620)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)c1ccccc1)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C22H26N6O4/c29-10-15-16(27-21(31)13-6-2-1-3-7-13)18(30)22(32-15)28-12-25-17-19(23-11-24-20(17)28)26-14-8-4-5-9-14/h1-3,6-7,11-12,14-16,18,22,29-30H,4-5,8-10H2,(H,27,31)(H,23,24,26)/t15-,16+,18-,22-/m1/s1
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400n/an/an/an/an/an/an/an/a



University of Ghent

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor was determined, in the absence of GTP in rat cortical membrane.


J Med Chem 40: 3765-72 (1997)


Article DOI: 10.1021/jm970176k
BindingDB Entry DOI: 10.7270/Q2RF5VP4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50112187
PNG
(CHEMBL296399 | N-[5-(6-Cyclopentylamino-purin-9-yl...)
Show SMILES C[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)CCCc1cccs1)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C23H30N6O3S/c1-14-18(28-17(30)10-4-8-16-9-5-11-33-16)20(31)23(32-14)29-13-26-19-21(24-12-25-22(19)29)27-15-6-2-3-7-15/h5,9,11-15,18,20,23,31H,2-4,6-8,10H2,1H3,(H,28,30)(H,24,25,27)/t14-,18+,20-,23-/m1/s1
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419n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Binding affinity at human Adenosine A1 receptor expressed in CHO cells


J Med Chem 45: 1845-52 (2002)


Article DOI: 10.1021/jm0110439
BindingDB Entry DOI: 10.7270/Q20001DD
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50454666
PNG
(CHEMBL2112627)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)c1ccc(Cl)cc1)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C22H25ClN6O4/c23-13-7-5-12(6-8-13)21(32)28-16-15(9-30)33-22(18(16)31)29-11-26-17-19(24-10-25-20(17)29)27-14-3-1-2-4-14/h5-8,10-11,14-16,18,22,30-31H,1-4,9H2,(H,28,32)(H,24,25,27)/t15-,16+,18-,22-/m1/s1
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580n/an/an/an/an/an/an/an/a



University of Ghent

Curated by ChEMBL


Assay Description
Affinity for adenosine A2a receptor was determined on rat striatal membrane using [3H]-CGS- 21680 as radioligand


J Med Chem 40: 3765-72 (1997)


Article DOI: 10.1021/jm970176k
BindingDB Entry DOI: 10.7270/Q2RF5VP4
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50454665
PNG
(CHEMBL2112626)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)CCCc1ccccc1)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C25H32N6O4/c32-13-18-20(30-19(33)12-6-9-16-7-2-1-3-8-16)22(34)25(35-18)31-15-28-21-23(26-14-27-24(21)31)29-17-10-4-5-11-17/h1-3,7-8,14-15,17-18,20,22,25,32,34H,4-6,9-13H2,(H,30,33)(H,26,27,29)/t18-,20+,22-,25-/m1/s1
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650n/an/an/an/an/an/an/an/a



University of Ghent

Curated by ChEMBL


Assay Description
Affinity for adenosine A2a receptor was determined on rat striatal membrane using [3H]-CGS- 21680 as radioligand


J Med Chem 40: 3765-72 (1997)


Article DOI: 10.1021/jm970176k
BindingDB Entry DOI: 10.7270/Q2RF5VP4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50454668
PNG
(CHEMBL2112631)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)c1ccc(cc1)[N+]([O-])=O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C22H25N7O6/c30-9-15-16(27-21(32)12-5-7-14(8-6-12)29(33)34)18(31)22(35-15)28-11-25-17-19(23-10-24-20(17)28)26-13-3-1-2-4-13/h5-8,10-11,13,15-16,18,22,30-31H,1-4,9H2,(H,27,32)(H,23,24,26)/t15-,16+,18-,22-/m1/s1
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740n/an/an/an/an/an/an/an/a



University of Ghent

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor was determined, in the presence of GTP in rat brain cortex


J Med Chem 40: 3765-72 (1997)


Article DOI: 10.1021/jm970176k
BindingDB Entry DOI: 10.7270/Q2RF5VP4
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50060840
PNG
(CHEMBL340299 | N-[(R)-5-(6-Cyclopentylamino-purin-...)
Show SMILES COc1ccc(cc1)C(=O)N[C@H]1C(CO)OC(C1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C23H28N6O5/c1-33-15-8-6-13(7-9-15)22(32)28-17-16(10-30)34-23(19(17)31)29-12-26-18-20(24-11-25-21(18)29)27-14-4-2-3-5-14/h6-9,11-12,14,16-17,19,23,30-31H,2-5,10H2,1H3,(H,28,32)(H,24,25,27)/t16?,17-,19?,23?/m0/s1
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770n/an/an/an/an/an/an/an/a



University of Ghent

Curated by ChEMBL


Assay Description
Affinity for adenosine A2a receptor was determined on rat striatal membrane using [3H]-CGS- 21680 as radioligand


J Med Chem 40: 3765-72 (1997)


Article DOI: 10.1021/jm970176k
BindingDB Entry DOI: 10.7270/Q2RF5VP4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50060835
PNG
(CHEMBL121997 | N-[(R)-5-(6-Cyclopentylamino-purin-...)
Show SMILES OCC1OC(C(O)[C@H]1NC(=O)Cc1ccccc1)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C23H28N6O4/c30-11-16-18(28-17(31)10-14-6-2-1-3-7-14)20(32)23(33-16)29-13-26-19-21(24-12-25-22(19)29)27-15-8-4-5-9-15/h1-3,6-7,12-13,15-16,18,20,23,30,32H,4-5,8-11H2,(H,28,31)(H,24,25,27)/t16?,18-,20?,23?/m0/s1
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770n/an/an/an/an/an/an/an/a



University of Ghent

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor was determined, in the presence of GTP in rat brain cortex


J Med Chem 40: 3765-72 (1997)


Article DOI: 10.1021/jm970176k
BindingDB Entry DOI: 10.7270/Q2RF5VP4
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50060845
PNG
(CHEMBL122746 | N-[(R)-5-(6-Cyclopentylamino-purin-...)
Show SMILES Cc1ccc(cc1)C(=O)N[C@H]1C(CO)OC(C1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C23H28N6O4/c1-13-6-8-14(9-7-13)22(32)28-17-16(10-30)33-23(19(17)31)29-12-26-18-20(24-11-25-21(18)29)27-15-4-2-3-5-15/h6-9,11-12,15-17,19,23,30-31H,2-5,10H2,1H3,(H,28,32)(H,24,25,27)/t16?,17-,19?,23?/m0/s1
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790n/an/an/an/an/an/an/an/a



University of Ghent

Curated by ChEMBL


Assay Description
Affinity for adenosine A2a receptor was determined on rat striatal membrane using [3H]-CGS- 21680 as radioligand


J Med Chem 40: 3765-72 (1997)


Article DOI: 10.1021/jm970176k
BindingDB Entry DOI: 10.7270/Q2RF5VP4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50454668
PNG
(CHEMBL2112631)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)c1ccc(cc1)[N+]([O-])=O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C22H25N7O6/c30-9-15-16(27-21(32)12-5-7-14(8-6-12)29(33)34)18(31)22(35-15)28-11-25-17-19(23-10-24-20(17)28)26-13-3-1-2-4-13/h5-8,10-11,13,15-16,18,22,30-31H,1-4,9H2,(H,27,32)(H,23,24,26)/t15-,16+,18-,22-/m1/s1
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820n/an/an/an/an/an/an/an/a



University of Ghent

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor was determined, in the absence of GTP in rat cortical membrane.


J Med Chem 40: 3765-72 (1997)


Article DOI: 10.1021/jm970176k
BindingDB Entry DOI: 10.7270/Q2RF5VP4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50060835
PNG
(CHEMBL121997 | N-[(R)-5-(6-Cyclopentylamino-purin-...)
Show SMILES OCC1OC(C(O)[C@H]1NC(=O)Cc1ccccc1)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C23H28N6O4/c30-11-16-18(28-17(31)10-14-6-2-1-3-7-14)20(32)23(33-16)29-13-26-19-21(24-12-25-22(19)29)27-15-8-4-5-9-15/h1-3,6-7,12-13,15-16,18,20,23,30,32H,4-5,8-11H2,(H,28,31)(H,24,25,27)/t16?,18-,20?,23?/m0/s1
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850n/an/an/an/an/an/an/an/a



University of Ghent

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor was determined, in the absence of GTP in rat cortical membrane.


J Med Chem 40: 3765-72 (1997)


Article DOI: 10.1021/jm970176k
BindingDB Entry DOI: 10.7270/Q2RF5VP4
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50454674
PNG
(CHEMBL2112630)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)c1ccc(Cl)c(Cl)c1)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C22H24Cl2N6O4/c23-13-6-5-11(7-14(13)24)21(33)29-16-15(8-31)34-22(18(16)32)30-10-27-17-19(25-9-26-20(17)30)28-12-3-1-2-4-12/h5-7,9-10,12,15-16,18,22,31-32H,1-4,8H2,(H,29,33)(H,25,26,28)/t15-,16+,18-,22-/m1/s1
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2.02E+3n/an/an/an/an/an/an/an/a



University of Ghent

Curated by ChEMBL


Assay Description
Affinity for adenosine A2a receptor was determined on rat striatal membrane using [3H]-CGS- 21680 as radioligand


J Med Chem 40: 3765-72 (1997)


Article DOI: 10.1021/jm970176k
BindingDB Entry DOI: 10.7270/Q2RF5VP4
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50454675
PNG
(CHEMBL2112612)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@H](NC(=O)c2ccccc2)[C@H]1O
Show InChI InChI=1S/C17H18N6O4/c18-14-12-15(20-7-19-14)23(8-21-12)17-13(25)11(10(6-24)27-17)22-16(26)9-4-2-1-3-5-9/h1-5,7-8,10-11,13,17,24-25H,6H2,(H,22,26)(H2,18,19,20)/t10-,11+,13-,17-/m1/s1
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2.47E+3n/an/an/an/an/an/an/an/a



University of Ghent

Curated by ChEMBL


Assay Description
Affinity for adenosine A2a receptor was determined on rat striatal membrane using [3H]-CGS- 21680 as radioligand


J Med Chem 40: 3765-72 (1997)


Article DOI: 10.1021/jm970176k
BindingDB Entry DOI: 10.7270/Q2RF5VP4
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50454673
PNG
(CHEMBL2112620)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)c1ccccc1)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C22H26N6O4/c29-10-15-16(27-21(31)13-6-2-1-3-7-13)18(30)22(32-15)28-12-25-17-19(23-11-24-20(17)28)26-14-8-4-5-9-14/h1-3,6-7,11-12,14-16,18,22,29-30H,4-5,8-10H2,(H,27,31)(H,23,24,26)/t15-,16+,18-,22-/m1/s1
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2.76E+3n/an/an/an/an/an/an/an/a



University of Ghent

Curated by ChEMBL


Assay Description
Affinity for adenosine A2a receptor was determined on rat striatal membrane using [3H]-CGS- 21680 as radioligand


J Med Chem 40: 3765-72 (1997)


Article DOI: 10.1021/jm970176k
BindingDB Entry DOI: 10.7270/Q2RF5VP4
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50454669
PNG
(CHEMBL2112632)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)CCCCc1ccccc1)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C26H34N6O4/c33-14-19-21(31-20(34)13-7-4-10-17-8-2-1-3-9-17)23(35)26(36-19)32-16-29-22-24(27-15-28-25(22)32)30-18-11-5-6-12-18/h1-3,8-9,15-16,18-19,21,23,26,33,35H,4-7,10-14H2,(H,31,34)(H,27,28,30)/t19-,21+,23-,26-/m1/s1
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4.23E+3n/an/an/an/an/an/an/an/a



University of Ghent

Curated by ChEMBL


Assay Description
Affinity for adenosine A2a receptor was determined on rat striatal membrane using [3H]-CGS- 21680 as radioligand


J Med Chem 40: 3765-72 (1997)


Article DOI: 10.1021/jm970176k
BindingDB Entry DOI: 10.7270/Q2RF5VP4
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50454668
PNG
(CHEMBL2112631)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)c1ccc(cc1)[N+]([O-])=O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C22H25N7O6/c30-9-15-16(27-21(32)12-5-7-14(8-6-12)29(33)34)18(31)22(35-15)28-11-25-17-19(23-10-24-20(17)28)26-13-3-1-2-4-13/h5-8,10-11,13,15-16,18,22,30-31H,1-4,9H2,(H,27,32)(H,23,24,26)/t15-,16+,18-,22-/m1/s1
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6.85E+3n/an/an/an/an/an/an/an/a



University of Ghent

Curated by ChEMBL


Assay Description
Affinity for adenosine A2a receptor was determined on rat striatal membrane using [3H]-CGS- 21680 as radioligand


J Med Chem 40: 3765-72 (1997)


Article DOI: 10.1021/jm970176k
BindingDB Entry DOI: 10.7270/Q2RF5VP4
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50454667
PNG
(CHEMBL2112625)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)CCc1ccccc1)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C24H30N6O4/c31-12-17-19(29-18(32)11-10-15-6-2-1-3-7-15)21(33)24(34-17)30-14-27-20-22(25-13-26-23(20)30)28-16-8-4-5-9-16/h1-3,6-7,13-14,16-17,19,21,24,31,33H,4-5,8-12H2,(H,29,32)(H,25,26,28)/t17-,19+,21-,24-/m1/s1
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7.94E+3n/an/an/an/an/an/an/an/a



University of Ghent

Curated by ChEMBL


Assay Description
Affinity for adenosine A2a receptor was determined on rat striatal membrane using [3H]-CGS- 21680 as radioligand


J Med Chem 40: 3765-72 (1997)


Article DOI: 10.1021/jm970176k
BindingDB Entry DOI: 10.7270/Q2RF5VP4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50454675
PNG
(CHEMBL2112612)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@H](NC(=O)c2ccccc2)[C@H]1O
Show InChI InChI=1S/C17H18N6O4/c18-14-12-15(20-7-19-14)23(8-21-12)17-13(25)11(10(6-24)27-17)22-16(26)9-4-2-1-3-5-9/h1-5,7-8,10-11,13,17,24-25H,6H2,(H,22,26)(H2,18,19,20)/t10-,11+,13-,17-/m1/s1
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1.09E+4n/an/an/an/an/an/an/an/a



University of Ghent

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor was determined, in the absence of GTP in rat cortical membrane.


J Med Chem 40: 3765-72 (1997)


Article DOI: 10.1021/jm970176k
BindingDB Entry DOI: 10.7270/Q2RF5VP4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50454675
PNG
(CHEMBL2112612)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@H](NC(=O)c2ccccc2)[C@H]1O
Show InChI InChI=1S/C17H18N6O4/c18-14-12-15(20-7-19-14)23(8-21-12)17-13(25)11(10(6-24)27-17)22-16(26)9-4-2-1-3-5-9/h1-5,7-8,10-11,13,17,24-25H,6H2,(H,22,26)(H2,18,19,20)/t10-,11+,13-,17-/m1/s1
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1.11E+4n/an/an/an/an/an/an/an/a



University of Ghent

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor was determined, in the presence of GTP in rat brain cortex


J Med Chem 40: 3765-72 (1997)


Article DOI: 10.1021/jm970176k
BindingDB Entry DOI: 10.7270/Q2RF5VP4
More data for this
Ligand-Target Pair