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23 similar compounds to monomer 50081671

Compile data set for download or QSAR
Wt: 459.6
BDBM50074210
Wt: 355.4
BDBM50074219
Wt: 389.4
BDBM50074220
Wt: 401.5
BDBM50074221
Wt: 399.5
BDBM50074225
Purchase
Wt: 371.4
BDBM50074231
Wt: 385.5
BDBM50074233
Wt: 414.5
BDBM50074235
Wt: 415.5
BDBM50074236
Wt: 414.5
BDBM50081669
Wt: 414.5
BDBM50081672
Wt: 400.5
BDBM50081673
Wt: 446.5
BDBM50081674
Wt: 474.6
BDBM50081676
Wt: 520.7
BDBM50081677
Displayed 1 to 15 (of 23 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 49 hits for monomerid = 50074210,50074219,50074220,50074221,50074225,50074231,50074233,50074235,50074236,50081669,50081672,50081673,50081674,50081676,50081677   
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 A3


(Homo sapiens (Human))
BDBM50074220
PNG
(4,6-Diethyl-5-ethylsulfanylcarbonyl-2-phenyl-nicot...)
Show SMILES CCSC(=O)c1c(CC)nc(-c2ccccc2)c(C(=O)OCCF)c1CC
Show InChI InChI=1S/C21H24FNO3S/c1-4-15-17(21(25)27-6-3)16(5-2)23-19(14-10-8-7-9-11-14)18(15)20(24)26-13-12-22/h7-11H,4-6,12-13H2,1-3H3
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4.22n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125 I]AB-MECA binding at human Adenosine A3 receptor expressed in HEK cells


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50074233
PNG
(4,6-Diethyl-5-ethylsulfanylcarbonyl-2-phenyl-nicot...)
Show SMILES CCCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C22H27NO3S/c1-5-14-26-21(24)19-16(6-2)18(22(25)27-8-4)17(7-3)23-20(19)15-12-10-9-11-13-15/h9-13H,5-8,14H2,1-4H3
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8.29n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125 I]AB-MECA binding at human Adenosine A3 receptor expressed in HEK cells


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50074221
PNG
(6-Ethyl-5-ethylsulfanylcarbonyl-4-(2-hydroxy-ethyl...)
Show SMILES CCCOC(=O)c1c(CCO)c(C(=O)SCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C22H27NO4S/c1-4-14-27-21(25)19-16(12-13-24)18(22(26)28-6-3)17(5-2)23-20(19)15-10-8-7-9-11-15/h7-11,24H,4-6,12-14H2,1-3H3
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10.3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal membranes.


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50074231
PNG
(4,6-Diethyl-5-ethylsulfanylcarbonyl-2-phenyl-nicot...)
Show SMILES CCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C21H25NO3S/c1-5-15-17(21(24)26-8-4)16(6-2)22-19(14-12-10-9-11-13-14)18(15)20(23)25-7-3/h9-13H,5-8H2,1-4H3
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13.4n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50074225
PNG
(6-Ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C23H29NO3S/c1-5-12-17-19(23(26)28-8-4)18(7-3)24-21(16-13-10-9-11-14-16)20(17)22(25)27-15-6-2/h9-11,13-14H,5-8,12,15H2,1-4H3
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18.9n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125 I]AB-MECA binding at human Adenosine A3 receptor expressed in HEK cells


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50074225
PNG
(6-Ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C23H29NO3S/c1-5-12-17-19(23(26)28-8-4)18(7-3)24-21(16-13-10-9-11-14-16)20(17)22(25)27-15-6-2/h9-11,13-14H,5-8,12,15H2,1-4H3
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19n/an/an/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A3 receptor in human NPE cells assessed as inhibition of adenosine-triggered cell shrinkage


J Med Chem 59: 788-809 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00828
BindingDB Entry DOI: 10.7270/Q25M67MM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50074231
PNG
(4,6-Diethyl-5-ethylsulfanylcarbonyl-2-phenyl-nicot...)
Show SMILES CCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C21H25NO3S/c1-5-15-17(21(24)26-8-4)16(6-2)22-19(14-12-10-9-11-13-14)18(15)20(23)25-7-3/h9-13H,5-8H2,1-4H3
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20n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125 I]AB-MECA binding at human Adenosine A3 receptor expressed in HEK cells


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50074231
PNG
(4,6-Diethyl-5-ethylsulfanylcarbonyl-2-phenyl-nicot...)
Show SMILES CCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C21H25NO3S/c1-5-15-17(21(24)26-8-4)16(6-2)22-19(14-12-10-9-11-13-14)18(15)20(23)25-7-3/h9-13H,5-8H2,1-4H3
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41n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-CGS- 21680R-PIA binding to Adenosine A1 receptor in rat brain membranes.


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50074225
PNG
(6-Ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C23H29NO3S/c1-5-12-17-19(23(26)28-8-4)18(7-3)24-21(16-13-10-9-11-14-16)20(17)22(25)27-15-6-2/h9-11,13-14H,5-8,12,15H2,1-4H3
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113n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at rat Adenosine A3 receptor stably expressed in CHO cells


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50074210
PNG
(4-(2-Acetylsulfanyl-ethyl)-6-ethyl-5-ethylsulfanyl...)
Show SMILES CCCOC(=O)c1c(CCSC(C)=O)c(C(=O)SCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C24H29NO4S2/c1-5-14-29-23(27)21-18(13-15-31-16(4)26)20(24(28)30-7-3)19(6-2)25-22(21)17-11-9-8-10-12-17/h8-12H,5-7,13-15H2,1-4H3
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124n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125 I]AB-MECA binding at human Adenosine A3 receptor expressed in HEK cells


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50074236
PNG
(6-Ethyl-5-ethylsulfanylcarbonyl-4-(3-hydroxy-propy...)
Show SMILES CCCOC(=O)c1c(CCCO)c(C(=O)SCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C23H29NO4S/c1-4-15-28-22(26)20-17(13-10-14-25)19(23(27)29-6-3)18(5-2)24-21(20)16-11-8-7-9-12-16/h7-9,11-12,25H,4-6,10,13-15H2,1-3H3
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169n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125 I]AB-MECA binding at human Adenosine A3 receptor expressed in HEK cells


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50074233
PNG
(4,6-Diethyl-5-ethylsulfanylcarbonyl-2-phenyl-nicot...)
Show SMILES CCCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C22H27NO3S/c1-5-14-26-21(24)19-16(6-2)18(22(25)27-8-4)17(7-3)23-20(19)15-12-10-9-11-13-15/h9-13H,5-8,14H2,1-4H3
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183n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at rat Adenosine A3 receptor stably expressed in CHO cells


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50074225
PNG
(6-Ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C23H29NO3S/c1-5-12-17-19(23(26)28-8-4)18(7-3)24-21(16-13-10-9-11-14-16)20(17)22(25)27-15-6-2/h9-11,13-14H,5-8,12,15H2,1-4H3
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234n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity of adenosine derivative for endogenous rat Adenosine A3 receptor expressed on CHO cell


J Med Chem 45: 4471-84 (2002)


Article DOI: 10.1021/jm020211+
BindingDB Entry DOI: 10.7270/Q2P84CMQ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50074225
PNG
(6-Ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C23H29NO3S/c1-5-12-17-19(23(26)28-8-4)18(7-3)24-21(16-13-10-9-11-14-16)20(17)22(25)27-15-6-2/h9-11,13-14H,5-8,12,15H2,1-4H3
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238n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity towards human Adenosine A3 receptor wild type


J Med Chem 45: 4471-84 (2002)


Article DOI: 10.1021/jm020211+
BindingDB Entry DOI: 10.7270/Q2P84CMQ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50074219
PNG
(8-Ethyl-1-oxo-6-phenyl-3,4-dihydro-1H-thiopyrano[3...)
Show SMILES CCCOC(=O)c1c2CCSC(=O)c2c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C20H21NO3S/c1-3-11-24-19(22)17-14-10-12-25-20(23)16(14)15(4-2)21-18(17)13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3
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248n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125 I]AB-MECA binding at human Adenosine A3 receptor expressed in HEK cells


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50074221
PNG
(6-Ethyl-5-ethylsulfanylcarbonyl-4-(2-hydroxy-ethyl...)
Show SMILES CCCOC(=O)c1c(CCO)c(C(=O)SCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C22H27NO4S/c1-4-14-27-21(25)19-16(12-13-24)18(22(26)28-6-3)17(5-2)23-20(19)15-10-8-7-9-11-15/h7-11,24H,4-6,12-14H2,1-3H3
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262n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125 I]AB-MECA binding at human Adenosine A3 receptor expressed in HEK cells


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50081677
PNG
(2-(2-Benzyloxy-ethyl)-3-ethylsulfanylcarbonyl-1-me...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CCOCc2ccccc2)[n+](C)c1-c1ccccc1
Show InChI InChI=1S/C31H38NO4S/c1-5-14-25-27(31(34)37-7-3)26(19-21-35-22-23-15-10-8-11-16-23)32(4)29(24-17-12-9-13-18-24)28(25)30(33)36-20-6-2/h8-13,15-18H,5-7,14,19-22H2,1-4H3/q+1
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348n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]-AB-MECA from human Adenosine A3 receptor expressed in HEK cells


J Med Chem 42: 4232-8 (1999)


Article DOI: 10.1021/jm990234x
BindingDB Entry DOI: 10.7270/Q2V69HSC
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50074225
PNG
(6-Ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C23H29NO3S/c1-5-12-17-19(23(26)28-8-4)18(7-3)24-21(16-13-10-9-11-14-16)20(17)22(25)27-15-6-2/h9-11,13-14H,5-8,12,15H2,1-4H3
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357n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity of adenosine derivative for endogenous rat Adenosine A3 receptor of RBL-2H3


J Med Chem 45: 4471-84 (2002)


Article DOI: 10.1021/jm020211+
BindingDB Entry DOI: 10.7270/Q2P84CMQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50074231
PNG
(4,6-Diethyl-5-ethylsulfanylcarbonyl-2-phenyl-nicot...)
Show SMILES CCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C21H25NO3S/c1-5-15-17(21(24)26-8-4)16(6-2)22-19(14-12-10-9-11-13-14)18(15)20(23)25-7-3/h9-13H,5-8H2,1-4H3
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410n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at rat Adenosine A3 receptor stably expressed in CHO cells


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50081672
PNG
(2-Butyl-5-ethoxycarbonyl-4-ethyl-3-ethylsulfanylca...)
Show SMILES CCCCc1c(C(=O)SCC)c(CC)c(C(=O)OCC)c(-c2ccccc2)[n+]1C
Show InChI InChI=1S/C24H32NO3S/c1-6-10-16-19-20(24(27)29-9-4)18(7-2)21(23(26)28-8-3)22(25(19)5)17-14-12-11-13-15-17/h11-15H,6-10,16H2,1-5H3/q+1
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436n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]-AB-MECA from human Adenosine A3 receptor expressed in HEK cells


J Med Chem 42: 4232-8 (1999)


Article DOI: 10.1021/jm990234x
BindingDB Entry DOI: 10.7270/Q2V69HSC
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50081674
PNG
(2-Ethyl-3-(3-fluoro-propylsulfanylcarbonyl)-1-meth...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCCCF)c(CC)[n+](C)c1-c1ccccc1
Show InChI InChI=1S/C25H33FNO3S/c1-5-12-19-21(25(29)31-17-11-15-26)20(7-3)27(4)23(18-13-9-8-10-14-18)22(19)24(28)30-16-6-2/h8-10,13-14H,5-7,11-12,15-17H2,1-4H3/q+1
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465n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]-AB-MECA from human Adenosine A3 receptor expressed in HEK cells


J Med Chem 42: 4232-8 (1999)


Article DOI: 10.1021/jm990234x
BindingDB Entry DOI: 10.7270/Q2V69HSC
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50081673
PNG
(2,4-Diethyl-3-ethylsulfanylcarbonyl-1-methyl-6-phe...)
Show SMILES CCCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)[n+](C)c1-c1ccccc1
Show InChI InChI=1S/C23H30NO3S/c1-6-15-27-22(25)20-17(7-2)19(23(26)28-9-4)18(8-3)24(5)21(20)16-13-11-10-12-14-16/h10-14H,6-9,15H2,1-5H3/q+1
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483n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]-AB-MECA from human Adenosine A3 receptor expressed in HEK cells


J Med Chem 42: 4232-8 (1999)


Article DOI: 10.1021/jm990234x
BindingDB Entry DOI: 10.7270/Q2V69HSC
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50081676
PNG
(4-(2-Acetylsulfanyl-ethyl)-2-ethyl-3-ethylsulfanyl...)
Show SMILES CCCOC(=O)c1c(CCSC(C)=O)c(C(=O)SCC)c(CC)[n+](C)c1-c1ccccc1
Show InChI InChI=1S/C25H32NO4S2/c1-6-15-30-24(28)22-19(14-16-32-17(4)27)21(25(29)31-8-3)20(7-2)26(5)23(22)18-12-10-9-11-13-18/h9-13H,6-8,14-16H2,1-5H3/q+1
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538n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]-AB-MECA from human Adenosine A3 receptor expressed in HEK cells


J Med Chem 42: 4232-8 (1999)


Article DOI: 10.1021/jm990234x
BindingDB Entry DOI: 10.7270/Q2V69HSC
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50074220
PNG
(4,6-Diethyl-5-ethylsulfanylcarbonyl-2-phenyl-nicot...)
Show SMILES CCSC(=O)c1c(CC)nc(-c2ccccc2)c(C(=O)OCCF)c1CC
Show InChI InChI=1S/C21H24FNO3S/c1-4-15-17(21(25)27-6-3)16(5-2)23-19(14-10-8-7-9-11-14)18(15)20(24)26-13-12-22/h7-11H,4-6,12-13H2,1-3H3
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600n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at rat Adenosine A3 receptor stably expressed in CHO cells


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50081669
PNG
(3-Ethoxycarbonyl-4,6-diethyl-5-ethylsulfanylcarbon...)
Show SMILES CCC[n+]1c(CC)c(C(=O)SCC)c(CC)c(C(=O)OCC)c1-c1ccccc1
Show InChI InChI=1S/C24H32NO3S/c1-6-16-25-19(8-3)20(24(27)29-10-5)18(7-2)21(23(26)28-9-4)22(25)17-14-12-11-13-15-17/h11-15H,6-10,16H2,1-5H3/q+1
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1.35E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]-AB-MECA from human Adenosine A3 receptor expressed in HEK cells


J Med Chem 42: 4232-8 (1999)


Article DOI: 10.1021/jm990234x
BindingDB Entry DOI: 10.7270/Q2V69HSC
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50074235
PNG
(2-Ethyl-3-ethylsulfanylcarbonyl-1-methyl-6-phenyl-...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)[n+](C)c1-c1ccccc1
Show InChI InChI=1S/C24H32NO3S/c1-6-13-18-20(24(27)29-9-4)19(8-3)25(5)22(17-14-11-10-12-15-17)21(18)23(26)28-16-7-2/h10-12,14-15H,6-9,13,16H2,1-5H3/q+1
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2.02E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]-AB-MECA from human Adenosine A3 receptor expressed in HEK cells


J Med Chem 42: 4232-8 (1999)


Article DOI: 10.1021/jm990234x
BindingDB Entry DOI: 10.7270/Q2V69HSC
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50074235
PNG
(2-Ethyl-3-ethylsulfanylcarbonyl-1-methyl-6-phenyl-...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)[n+](C)c1-c1ccccc1
Show InChI InChI=1S/C24H32NO3S/c1-6-13-18-20(24(27)29-9-4)19(8-3)25(5)22(17-14-11-10-12-15-17)21(18)23(26)28-16-7-2/h10-12,14-15H,6-9,13,16H2,1-5H3/q+1
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2.02E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125 I]AB-MECA binding at human Adenosine A3 receptor expressed in HEK cells


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50074225
PNG
(6-Ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C23H29NO3S/c1-5-12-17-19(23(26)28-8-4)18(7-3)24-21(16-13-10-9-11-14-16)20(17)22(25)27-15-6-2/h9-11,13-14H,5-8,12,15H2,1-4H3
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2.05E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal membranes.


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50074225
PNG
(6-Ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C23H29NO3S/c1-5-12-17-19(23(26)28-8-4)18(7-3)24-21(16-13-10-9-11-14-16)20(17)22(25)27-15-6-2/h9-11,13-14H,5-8,12,15H2,1-4H3
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2.15E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity towards Adenosine A3 receptor (W243 mutant receptor)


J Med Chem 45: 4471-84 (2002)


Article DOI: 10.1021/jm020211+
BindingDB Entry DOI: 10.7270/Q2P84CMQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50074219
PNG
(8-Ethyl-1-oxo-6-phenyl-3,4-dihydro-1H-thiopyrano[3...)
Show SMILES CCCOC(=O)c1c2CCSC(=O)c2c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C20H21NO3S/c1-3-11-24-19(22)17-14-10-12-25-20(23)16(14)15(4-2)21-18(17)13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3
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2.58E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at rat Adenosine A3 receptor stably expressed in CHO cells


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50074235
PNG
(2-Ethyl-3-ethylsulfanylcarbonyl-1-methyl-6-phenyl-...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)[n+](C)c1-c1ccccc1
Show InChI InChI=1S/C24H32NO3S/c1-6-13-18-20(24(27)29-9-4)19(8-3)25(5)22(17-14-11-10-12-15-17)21(18)23(26)28-16-7-2/h10-12,14-15H,6-9,13,16H2,1-5H3/q+1
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4.26E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at rat Adenosine A3 receptor stably expressed in CHO cells


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50081672
PNG
(2-Butyl-5-ethoxycarbonyl-4-ethyl-3-ethylsulfanylca...)
Show SMILES CCCCc1c(C(=O)SCC)c(CC)c(C(=O)OCC)c(-c2ccccc2)[n+]1C
Show InChI InChI=1S/C24H32NO3S/c1-6-10-16-19-20(24(27)29-9-4)18(7-2)21(23(26)28-8-3)22(25(19)5)17-14-12-11-13-15-17/h11-15H,6-10,16H2,1-5H3/q+1
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6.02E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS-21,680 from Adenosine A2A receptor of rat striatal membranes.


J Med Chem 42: 4232-8 (1999)


Article DOI: 10.1021/jm990234x
BindingDB Entry DOI: 10.7270/Q2V69HSC
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50074231
PNG
(4,6-Diethyl-5-ethylsulfanylcarbonyl-2-phenyl-nicot...)
Show SMILES CCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C21H25NO3S/c1-5-15-17(21(24)26-8-4)16(6-2)22-19(14-12-10-9-11-13-14)18(15)20(23)25-7-3/h9-13H,5-8H2,1-4H3
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6.13E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal membranes.


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50074220
PNG
(4,6-Diethyl-5-ethylsulfanylcarbonyl-2-phenyl-nicot...)
Show SMILES CCSC(=O)c1c(CC)nc(-c2ccccc2)c(C(=O)OCCF)c1CC
Show InChI InChI=1S/C21H24FNO3S/c1-4-15-17(21(25)27-6-3)16(5-2)23-19(14-10-8-7-9-11-14)18(15)20(24)26-13-12-22/h7-11H,4-6,12-13H2,1-3H3
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7.33E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal membranes.


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50081674
PNG
(2-Ethyl-3-(3-fluoro-propylsulfanylcarbonyl)-1-meth...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCCCF)c(CC)[n+](C)c1-c1ccccc1
Show InChI InChI=1S/C25H33FNO3S/c1-5-12-19-21(25(29)31-17-11-15-26)20(7-3)27(4)23(18-13-9-8-10-14-18)22(19)24(28)30-16-6-2/h8-10,13-14H,5-7,11-12,15-17H2,1-4H3/q+1
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7.37E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS-21,680 from Adenosine A2A receptor of rat striatal membranes.


J Med Chem 42: 4232-8 (1999)


Article DOI: 10.1021/jm990234x
BindingDB Entry DOI: 10.7270/Q2V69HSC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50074233
PNG
(4,6-Diethyl-5-ethylsulfanylcarbonyl-2-phenyl-nicot...)
Show SMILES CCCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C22H27NO3S/c1-5-14-26-21(24)19-16(6-2)18(22(25)27-8-4)17(7-3)23-20(19)15-12-10-9-11-13-15/h9-13H,5-8,14H2,1-4H3
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7.77E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-CGS- 21680R-PIA binding to Adenosine A1 receptor in rat brain membranes.


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50074236
PNG
(6-Ethyl-5-ethylsulfanylcarbonyl-4-(3-hydroxy-propy...)
Show SMILES CCCOC(=O)c1c(CCCO)c(C(=O)SCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C23H29NO4S/c1-4-15-28-22(26)20-17(13-10-14-25)19(23(27)29-6-3)18(5-2)24-21(20)16-11-8-7-9-12-16/h7-9,11-12,25H,4-6,10,13-15H2,1-3H3
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8.76E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal membranes.


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50074221
PNG
(6-Ethyl-5-ethylsulfanylcarbonyl-4-(2-hydroxy-ethyl...)
Show SMILES CCCOC(=O)c1c(CCO)c(C(=O)SCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C22H27NO4S/c1-4-14-27-21(25)19-16(12-13-24)18(22(26)28-6-3)17(5-2)23-20(19)15-10-8-7-9-11-15/h7-11,24H,4-6,12-14H2,1-3H3
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9.04E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-CGS- 21680R-PIA binding to Adenosine A1 receptor in rat brain membranes.


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50074236
PNG
(6-Ethyl-5-ethylsulfanylcarbonyl-4-(3-hydroxy-propy...)
Show SMILES CCCOC(=O)c1c(CCCO)c(C(=O)SCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C23H29NO4S/c1-4-15-28-22(26)20-17(13-10-14-25)19(23(27)29-6-3)18(5-2)24-21(20)16-11-8-7-9-12-16/h7-9,11-12,25H,4-6,10,13-15H2,1-3H3
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9.06E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-CGS- 21680R-PIA binding to Adenosine A1 receptor in rat brain membranes.


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50074210
PNG
(4-(2-Acetylsulfanyl-ethyl)-6-ethyl-5-ethylsulfanyl...)
Show SMILES CCCOC(=O)c1c(CCSC(C)=O)c(C(=O)SCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C24H29NO4S2/c1-5-14-29-23(27)21-18(13-15-31-16(4)26)20(24(28)30-7-3)19(6-2)25-22(21)17-11-9-8-10-12-17/h8-12H,5-7,13-15H2,1-4H3
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9.80E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-CGS- 21680R-PIA binding to Adenosine A1 receptor in rat brain membranes.


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50074220
PNG
(4,6-Diethyl-5-ethylsulfanylcarbonyl-2-phenyl-nicot...)
Show SMILES CCSC(=O)c1c(CC)nc(-c2ccccc2)c(C(=O)OCCF)c1CC
Show InChI InChI=1S/C21H24FNO3S/c1-4-15-17(21(25)27-6-3)16(5-2)23-19(14-10-8-7-9-11-14)18(15)20(24)26-13-12-22/h7-11H,4-6,12-13H2,1-3H3
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1.15E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-CGS- 21680R-PIA binding to Adenosine A1 receptor in rat brain membranes.


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50081677
PNG
(2-(2-Benzyloxy-ethyl)-3-ethylsulfanylcarbonyl-1-me...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CCOCc2ccccc2)[n+](C)c1-c1ccccc1
Show InChI InChI=1S/C31H38NO4S/c1-5-14-25-27(31(34)37-7-3)26(19-21-35-22-23-15-10-8-11-16-23)32(4)29(24-17-12-9-13-18-24)28(25)30(33)36-20-6-2/h8-13,15-18H,5-7,14,19-22H2,1-4H3/q+1
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1.19E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS-21,680 from Adenosine A2A receptor of rat striatal membranes.


J Med Chem 42: 4232-8 (1999)


Article DOI: 10.1021/jm990234x
BindingDB Entry DOI: 10.7270/Q2V69HSC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50081672
PNG
(2-Butyl-5-ethoxycarbonyl-4-ethyl-3-ethylsulfanylca...)
Show SMILES CCCCc1c(C(=O)SCC)c(CC)c(C(=O)OCC)c(-c2ccccc2)[n+]1C
Show InChI InChI=1S/C24H32NO3S/c1-6-10-16-19-20(24(27)29-9-4)18(7-2)21(23(26)28-8-3)22(25(19)5)17-14-12-11-13-15-17/h11-15H,6-10,16H2,1-5H3/q+1
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1.45E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


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


J Med Chem 42: 4232-8 (1999)


Article DOI: 10.1021/jm990234x
BindingDB Entry DOI: 10.7270/Q2V69HSC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50074225
PNG
(6-Ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C23H29NO3S/c1-5-12-17-19(23(26)28-8-4)18(7-3)24-21(16-13-10-9-11-14-16)20(17)22(25)27-15-6-2/h9-11,13-14H,5-8,12,15H2,1-4H3
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1.56E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-CGS- 21680R-PIA binding to Adenosine A1 receptor in rat brain membranes.


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50074219
PNG
(8-Ethyl-1-oxo-6-phenyl-3,4-dihydro-1H-thiopyrano[3...)
Show SMILES CCCOC(=O)c1c2CCSC(=O)c2c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C20H21NO3S/c1-3-11-24-19(22)17-14-10-12-25-20(23)16(14)15(4-2)21-18(17)13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3
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1.65E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-CGS- 21680R-PIA binding to Adenosine A1 receptor in rat brain membranes.


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50081673
PNG
(2,4-Diethyl-3-ethylsulfanylcarbonyl-1-methyl-6-phe...)
Show SMILES CCCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)[n+](C)c1-c1ccccc1
Show InChI InChI=1S/C23H30NO3S/c1-6-15-27-22(25)20-17(7-2)19(23(26)28-9-4)18(8-3)24(5)21(20)16-13-11-10-12-14-16/h10-14H,6-9,15H2,1-5H3/q+1
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1.87E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS-21,680 from Adenosine A2A receptor of rat striatal membranes.


J Med Chem 42: 4232-8 (1999)


Article DOI: 10.1021/jm990234x
BindingDB Entry DOI: 10.7270/Q2V69HSC
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50081676
PNG
(4-(2-Acetylsulfanyl-ethyl)-2-ethyl-3-ethylsulfanyl...)
Show SMILES CCCOC(=O)c1c(CCSC(C)=O)c(C(=O)SCC)c(CC)[n+](C)c1-c1ccccc1
Show InChI InChI=1S/C25H32NO4S2/c1-6-15-30-24(28)22-19(14-16-32-17(4)27)21(25(29)31-8-3)20(7-2)26(5)23(22)18-12-10-9-11-13-18/h9-13H,6-8,14-16H2,1-5H3/q+1
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5.32E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS-21,680 from Adenosine A2A receptor of rat striatal membranes.


J Med Chem 42: 4232-8 (1999)


Article DOI: 10.1021/jm990234x
BindingDB Entry DOI: 10.7270/Q2V69HSC
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50074219
PNG
(8-Ethyl-1-oxo-6-phenyl-3,4-dihydro-1H-thiopyrano[3...)
Show SMILES CCCOC(=O)c1c2CCSC(=O)c2c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C20H21NO3S/c1-3-11-24-19(22)17-14-10-12-25-20(23)16(14)15(4-2)21-18(17)13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3
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6.71E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal membranes.


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50081669
PNG
(3-Ethoxycarbonyl-4,6-diethyl-5-ethylsulfanylcarbon...)
Show SMILES CCC[n+]1c(CC)c(C(=O)SCC)c(CC)c(C(=O)OCC)c1-c1ccccc1
Show InChI InChI=1S/C24H32NO3S/c1-6-16-25-19(8-3)20(24(27)29-10-5)18(7-2)21(23(26)28-9-4)22(25)17-14-12-11-13-15-17/h11-15H,6-10,16H2,1-5H3/q+1
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7.69E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


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


J Med Chem 42: 4232-8 (1999)


Article DOI: 10.1021/jm990234x
BindingDB Entry DOI: 10.7270/Q2V69HSC
More data for this
Ligand-Target Pair