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PubMed code 10052977

Compile data set for download or QSAR
Found 82 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor 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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PubMed
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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PubMed
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 receptor A3


(Homo sapiens (Human))
BDBM50074223
PNG
(6-Ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-...)
Show SMILES CCCc1c(C(=O)SCC)c(CC)nc(-c2ccccc2)c1C(=O)OCCCF
Show InChI InChI=1S/C23H28FNO3S/c1-4-11-17-19(23(27)29-6-3)18(5-2)25-21(16-12-8-7-9-13-16)20(17)22(26)28-15-10-14-24/h7-9,12-13H,4-6,10-11,14-15H2,1-3H3
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9.67n/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


(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))
BDBM50074213
PNG
(5-Oxo-2-phenyl-4-propyl-7,8-dihydro-5H-thiopyrano[...)
Show SMILES CCCc1c(C(=O)OCC)c(nc2CCSC(=O)c12)-c1ccccc1
Show InChI InChI=1S/C20H21NO3S/c1-3-8-14-16-15(11-12-25-20(16)23)21-18(13-9-6-5-7-10-13)17(14)19(22)24-4-2/h5-7,9-10H,3-4,8,11-12H2,1-2H3
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12n/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))
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
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 A3


(Homo sapiens (Human))
BDBM50074237
PNG
(6-Ethyl-5-ethylsulfanylcarbonyl-2-(2-fluoro-phenyl...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)nc1-c1ccccc1F
Show InChI InChI=1S/C23H28FNO3S/c1-5-11-16-19(23(27)29-8-4)18(7-3)25-21(15-12-9-10-13-17(15)24)20(16)22(26)28-14-6-2/h9-10,12-13H,5-8,11,14H2,1-4H3
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23n/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


(Rattus norvegicus (rat))
BDBM50074222
PNG
(6-(2-Benzyloxy-ethyl)-5-ethylsulfanylcarbonyl-2-ph...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CCOCc2ccccc2)nc1-c1ccccc1
Show InChI InChI=1S/C30H35NO4S/c1-4-13-24-26(30(33)36-6-3)25(18-20-34-21-22-14-9-7-10-15-22)31-28(23-16-11-8-12-17-23)27(24)29(32)35-19-5-2/h7-12,14-17H,4-6,13,18-21H2,1-3H3
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26n/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))
BDBM50074218
PNG
(6-Ethyl-5-ethylsulfanylcarbonyl-2-(3-fluoro-phenyl...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)nc1-c1cccc(F)c1
Show InChI InChI=1S/C23H28FNO3S/c1-5-10-17-19(23(27)29-8-4)18(7-3)25-21(15-11-9-12-16(24)14-15)20(17)22(26)28-13-6-2/h9,11-12,14H,5-8,10,13H2,1-4H3
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28.9n/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
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50074217
PNG
(6-Ethyl-5-ethylsulfanylcarbonyl-2-(4-fluoro-phenyl...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)nc1-c1ccc(F)cc1
Show InChI InChI=1S/C23H28FNO3S/c1-5-9-17-19(23(27)29-8-4)18(7-3)25-21(15-10-12-16(24)13-11-15)20(17)22(26)28-14-6-2/h10-13H,5-9,14H2,1-4H3
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31.1n/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 A3


(Homo sapiens (Human))
BDBM50074239
PNG
(6-Ethyl-5-(2-hydroxy-ethylsulfanylcarbonyl)-2-phen...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCCO)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C23H29NO4S/c1-4-10-17-19(23(27)29-15-13-25)18(6-3)24-21(16-11-8-7-9-12-16)20(17)22(26)28-14-5-2/h7-9,11-12,25H,4-6,10,13-15H2,1-3H3
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51.1n/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))
BDBM50074216
PNG
(6-Ethyl-5-(2-fluoro-ethylsulfanylcarbonyl)-2-pheny...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCCF)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C23H28FNO3S/c1-4-10-17-19(23(27)29-15-13-24)18(6-3)25-21(16-11-8-7-9-12-16)20(17)22(26)28-14-5-2/h7-9,11-12H,4-6,10,13-15H2,1-3H3
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55.1n/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))
BDBM50074228
PNG
(6-Ethyl-5-ethylsulfanylcarbonyl-4-(3-fluoro-propyl...)
Show SMILES CCCOC(=O)c1c(CCCF)c(C(=O)SCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C23H28FNO3S/c1-4-15-28-22(26)20-17(13-10-14-24)19(23(27)29-6-3)18(5-2)25-21(20)16-11-8-7-9-12-16/h7-9,11-12H,4-6,10,13-15H2,1-3H3
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59.9n/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
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50074215
PNG
(6-Ethyl-5-(3-fluoro-propylsulfanylcarbonyl)-2-phen...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCCCF)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C24H30FNO3S/c1-4-11-18-20(24(28)30-16-10-14-25)19(6-3)26-22(17-12-8-7-9-13-17)21(18)23(27)29-15-5-2/h7-9,12-13H,4-6,10-11,14-16H2,1-3H3
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82.8n/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))
BDBM50074222
PNG
(6-(2-Benzyloxy-ethyl)-5-ethylsulfanylcarbonyl-2-ph...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CCOCc2ccccc2)nc1-c1ccccc1
Show InChI InChI=1S/C30H35NO4S/c1-4-13-24-26(30(33)36-6-3)25(18-20-34-21-22-14-9-7-10-15-22)31-28(23-16-11-8-12-17-23)27(24)29(32)35-19-5-2/h7-12,14-17H,4-6,13,18-21H2,1-3H3
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109n/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


(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


(Rattus norvegicus)
BDBM50074215
PNG
(6-Ethyl-5-(3-fluoro-propylsulfanylcarbonyl)-2-phen...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCCCF)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C24H30FNO3S/c1-4-11-18-20(24(28)30-16-10-14-25)19(6-3)26-22(17-12-8-7-9-13-17)21(18)23(27)29-15-5-2/h7-9,12-13H,4-6,10-11,14-16H2,1-3H3
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156n/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))
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 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 A3


(Homo sapiens (Human))
BDBM50074232
PNG
(6-(2-Acetylsulfanyl-ethyl)-5-ethylsulfanylcarbonyl...)
Show SMILES CCCc1c(C(=O)SCC)c(CCSC(C)=O)nc(-c2ccccc2)c1C(=O)OCC
Show InChI InChI=1S/C24H29NO4S2/c1-5-11-18-20(24(28)30-7-3)19(14-15-31-16(4)26)25-22(17-12-9-8-10-13-17)21(18)23(27)29-6-2/h8-10,12-13H,5-7,11,14-15H2,1-4H3
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193n/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))
BDBM50074227
PNG
(2-(3-Chloro-phenyl)-4,6-diethyl-5-hexylsulfanylcar...)
Show SMILES CCCCCCSC(=O)c1c(CC)nc(-c2cccc(Cl)c2)c(C(=O)OCCC)c1CC
Show InChI InChI=1S/C26H34ClNO3S/c1-5-9-10-11-16-32-26(30)22-20(7-3)23(25(29)31-15-6-2)24(28-21(22)8-4)18-13-12-14-19(27)17-18/h12-14,17H,5-11,15-16H2,1-4H3
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220n/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))
BDBM50074230
PNG
(4-[2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-ethyl]-...)
Show SMILES CCOC(=O)c1c(CCN2C(=O)c3ccccc3C2=O)c(C(=O)SCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C29H28N2O5S/c1-4-22-23(29(35)37-6-3)21(16-17-31-26(32)19-14-10-11-15-20(19)27(31)33)24(28(34)36-5-2)25(30-22)18-12-8-7-9-13-18/h7-15H,4-6,16-17H2,1-3H3
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243n/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))
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


(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))
BDBM50074238
PNG
(6-Ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-...)
Show SMILES CCCc1c(C(=O)SCC)c(CC)nc(-c2ccccc2)c1C(=O)OCC(F)(F)C(F)(F)F
Show InChI InChI=1S/C23H24F5NO3S/c1-4-10-15-17(21(31)33-6-3)16(5-2)29-19(14-11-8-7-9-12-14)18(15)20(30)32-13-22(24,25)23(26,27)28/h7-9,11-12H,4-6,10,13H2,1-3H3
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446n/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))
BDBM50074230
PNG
(4-[2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-ethyl]-...)
Show SMILES CCOC(=O)c1c(CCN2C(=O)c3ccccc3C2=O)c(C(=O)SCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C29H28N2O5S/c1-4-22-23(29(35)37-6-3)21(16-17-31-26(32)19-14-10-11-15-20(19)27(31)33)24(28(34)36-5-2)25(30-22)18-12-8-7-9-13-18/h7-15H,4-6,16-17H2,1-3H3
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490n/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 A3


(Rattus norvegicus)
BDBM50074223
PNG
(6-Ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-...)
Show SMILES CCCc1c(C(=O)SCC)c(CC)nc(-c2ccccc2)c1C(=O)OCCCF
Show InChI InChI=1S/C23H28FNO3S/c1-4-11-17-19(23(27)29-6-3)18(5-2)25-21(16-12-8-7-9-13-16)20(17)22(26)28-15-10-14-24/h7-9,12-13H,4-6,10-11,14-15H2,1-3H3
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512n/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))
BDBM50074224
PNG
(6-Ethyl-2-phenyl-4-propyl-5-[2-(tetrahydro-pyran-2...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCCOC2CCCCO2)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C28H37NO5S/c1-4-12-21-24(28(31)35-19-18-33-23-15-10-11-17-32-23)22(6-3)29-26(20-13-8-7-9-14-20)25(21)27(30)34-16-5-2/h7-9,13-14,23H,4-6,10-12,15-19H2,1-3H3
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517n/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


(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


(Rattus norvegicus)
BDBM50074228
PNG
(6-Ethyl-5-ethylsulfanylcarbonyl-4-(3-fluoro-propyl...)
Show SMILES CCCOC(=O)c1c(CCCF)c(C(=O)SCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C23H28FNO3S/c1-4-15-28-22(26)20-17(13-10-14-24)19(23(27)29-6-3)18(5-2)25-21(20)16-11-8-7-9-12-16/h7-9,11-12H,4-6,10,13-15H2,1-3H3
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900n/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


(Rattus norvegicus (rat))
BDBM50074230
PNG
(4-[2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-ethyl]-...)
Show SMILES CCOC(=O)c1c(CCN2C(=O)c3ccccc3C2=O)c(C(=O)SCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C29H28N2O5S/c1-4-22-23(29(35)37-6-3)21(16-17-31-26(32)19-14-10-11-15-20(19)27(31)33)24(28(34)36-5-2)25(30-22)18-12-8-7-9-13-18/h7-15H,4-6,16-17H2,1-3H3
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1.14E+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


(Rattus norvegicus)
BDBM85776
PNG
(CAS_393594 | CHEMBL89852 | MRS1191 | NSC_393594)
Show SMILES CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCc2ccccc2)=C(N=C1C)c1ccccc1 |c:27,29|
Show InChI InChI=1S/C31H27NO4/c1-3-35-30(33)27-22(2)32-29(25-17-11-6-12-18-25)28(26(27)20-19-23-13-7-4-8-14-23)31(34)36-21-24-15-9-5-10-16-24/h4-18,26-27H,3,21H2,1-2H3
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1.42E+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 A3


(Homo sapiens (Human))
BDBM50074211
PNG
(1-Ethyl-9-oxo-3-phenyl-6,7,8,9-tetrahydro-5H-pyrid...)
Show SMILES CCOC(=O)c1c2CCCNC(=O)c2c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C20H22N2O3/c1-3-15-16-14(11-8-12-21-19(16)23)17(20(24)25-4-2)18(22-15)13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,21,23)
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1.99E+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 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 receptor 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


(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 A3


(Homo sapiens (Human))
BDBM50074214
PNG
(5-(2,2-Dimethyl-[1,3]dioxolan-4-ylmethylsulfanylca...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCC2COC(C)(C)O2)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C27H35NO5S/c1-6-12-20-22(26(30)34-17-19-16-32-27(4,5)33-19)21(8-3)28-24(18-13-10-9-11-14-18)23(20)25(29)31-15-7-2/h9-11,13-14,19H,6-8,12,15-17H2,1-5H3
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2.64E+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 receptor 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 receptor A1


(Rattus norvegicus (rat))
BDBM50074240
PNG
(4-[3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-propyl]...)
Show SMILES CCOC(=O)c1c(CCCN2C(=O)c3ccccc3C2=O)c(C(=O)SCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C30H30N2O5S/c1-4-23-24(30(36)38-6-3)22(17-12-18-32-27(33)20-15-10-11-16-21(20)28(32)34)25(29(35)37-5-2)26(31-23)19-13-8-7-9-14-19/h7-11,13-16H,4-6,12,17-18H2,1-3H3
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5.24E+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 A2a


(Rattus norvegicus (rat))
BDBM50074239
PNG
(6-Ethyl-5-(2-hydroxy-ethylsulfanylcarbonyl)-2-phen...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCCO)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C23H29NO4S/c1-4-10-17-19(23(27)29-15-13-25)18(6-3)24-21(16-11-8-7-9-12-16)20(17)22(26)28-14-5-2/h7-9,11-12,25H,4-6,10,13-15H2,1-3H3
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5.59E+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))
BDBM50074238
PNG
(6-Ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-...)
Show SMILES CCCc1c(C(=O)SCC)c(CC)nc(-c2ccccc2)c1C(=O)OCC(F)(F)C(F)(F)F
Show InChI InChI=1S/C23H24F5NO3S/c1-4-10-15-17(21(31)33-6-3)16(5-2)29-19(14-11-8-7-9-12-14)18(15)20(30)32-13-22(24,25)23(26,27)28/h7-9,11-12H,4-6,10,13H2,1-3H3
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5.68E+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))
BDBM50074214
PNG
(5-(2,2-Dimethyl-[1,3]dioxolan-4-ylmethylsulfanylca...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCC2COC(C)(C)O2)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C27H35NO5S/c1-6-12-20-22(26(30)34-17-19-16-32-27(4,5)33-19)21(8-3)28-24(18-13-10-9-11-14-18)23(20)25(29)31-15-7-2/h9-11,13-14,19H,6-8,12,15-17H2,1-5H3
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5.71E+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))
BDBM50074211
PNG
(1-Ethyl-9-oxo-3-phenyl-6,7,8,9-tetrahydro-5H-pyrid...)
Show SMILES CCOC(=O)c1c2CCCNC(=O)c2c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C20H22N2O3/c1-3-15-16-14(11-8-12-21-19(16)23)17(20(24)25-4-2)18(22-15)13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,21,23)
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5.79E+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))
BDBM50074234
PNG
(5-Ethylsulfanylcarbonyl-6-(2-hydroxy-ethyl)-2-phen...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CCO)nc1-c1ccccc1
Show InChI InChI=1S/C23H29NO4S/c1-4-10-17-19(23(27)29-6-3)18(13-14-25)24-21(16-11-8-7-9-12-16)20(17)22(26)28-15-5-2/h7-9,11-12,25H,4-6,10,13-15H2,1-3H3
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5.94E+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))
BDBM50074223
PNG
(6-Ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-...)
Show SMILES CCCc1c(C(=O)SCC)c(CC)nc(-c2ccccc2)c1C(=O)OCCCF
Show InChI InChI=1S/C23H28FNO3S/c1-4-11-17-19(23(27)29-6-3)18(5-2)25-21(16-12-8-7-9-13-16)20(17)22(26)28-15-10-14-24/h7-9,12-13H,4-6,10-11,14-15H2,1-3H3
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6.05E+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 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 receptor 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 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 receptor A1


(Rattus norvegicus (rat))
BDBM50074228
PNG
(6-Ethyl-5-ethylsulfanylcarbonyl-4-(3-fluoro-propyl...)
Show SMILES CCCOC(=O)c1c(CCCF)c(C(=O)SCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C23H28FNO3S/c1-4-15-28-22(26)20-17(13-10-14-24)19(23(27)29-6-3)18(5-2)25-21(20)16-11-8-7-9-12-16/h7-9,11-12H,4-6,10,13-15H2,1-3H3
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8.09E+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))
BDBM50074218
PNG
(6-Ethyl-5-ethylsulfanylcarbonyl-2-(3-fluoro-phenyl...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)nc1-c1cccc(F)c1
Show InChI InChI=1S/C23H28FNO3S/c1-5-10-17-19(23(27)29-8-4)18(7-3)25-21(15-11-9-12-16(24)14-15)20(17)22(26)28-13-6-2/h9,11-12,14H,5-8,10,13H2,1-4H3
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8.20E+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))
BDBM50074216
PNG
(6-Ethyl-5-(2-fluoro-ethylsulfanylcarbonyl)-2-pheny...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCCF)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C23H28FNO3S/c1-4-10-17-19(23(27)29-15-13-24)18(6-3)25-21(16-11-8-7-9-12-16)20(17)22(26)28-14-5-2/h7-9,11-12H,4-6,10,13-15H2,1-3H3
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8.22E+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 A2a


(Rattus norvegicus (rat))
BDBM50074237
PNG
(6-Ethyl-5-ethylsulfanylcarbonyl-2-(2-fluoro-phenyl...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)nc1-c1ccccc1F
Show InChI InChI=1S/C23H28FNO3S/c1-5-11-16-19(23(27)29-8-4)18(7-3)25-21(15-12-9-10-13-17(15)24)20(16)22(26)28-14-6-2/h9-10,12-13H,5-8,11,14H2,1-4H3
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8.63E+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 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 A2a


(Rattus norvegicus (rat))
BDBM50074223
PNG
(6-Ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-...)
Show SMILES CCCc1c(C(=O)SCC)c(CC)nc(-c2ccccc2)c1C(=O)OCCCF
Show InChI InChI=1S/C23H28FNO3S/c1-4-11-17-19(23(27)29-6-3)18(5-2)25-21(16-12-8-7-9-13-16)20(17)22(26)28-15-10-14-24/h7-9,12-13H,4-6,10-11,14-15H2,1-3H3
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9.67E+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))
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))
BDBM50074239
PNG
(6-Ethyl-5-(2-hydroxy-ethylsulfanylcarbonyl)-2-phen...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCCO)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C23H29NO4S/c1-4-10-17-19(23(27)29-15-13-25)18(6-3)24-21(16-11-8-7-9-12-16)20(17)22(26)28-14-5-2/h7-9,11-12,25H,4-6,10,13-15H2,1-3H3
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1.08E+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))
BDBM50074229
PNG
(8-Ethyl-1-oxo-6-phenyl-3,4-dihydro-1H-pyrano[3,4-c...)
Show SMILES CCCOC(=O)c1c2CCOC(=O)c2c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C20H21NO4/c1-3-11-24-20(23)17-14-10-12-25-19(22)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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1.12E+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))
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 receptor A1


(Rattus norvegicus (rat))
BDBM50074215
PNG
(6-Ethyl-5-(3-fluoro-propylsulfanylcarbonyl)-2-phen...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCCCF)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C24H30FNO3S/c1-4-11-18-20(24(28)30-16-10-14-25)19(6-3)26-22(17-12-8-7-9-13-17)21(18)23(27)29-15-5-2/h7-9,12-13H,4-6,10-11,14-16H2,1-3H3
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1.26E+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))
BDBM50074232
PNG
(6-(2-Acetylsulfanyl-ethyl)-5-ethylsulfanylcarbonyl...)
Show SMILES CCCc1c(C(=O)SCC)c(CCSC(C)=O)nc(-c2ccccc2)c1C(=O)OCC
Show InChI InChI=1S/C24H29NO4S2/c1-5-11-18-20(24(28)30-7-3)19(14-15-31-16(4)26)25-22(17-12-9-8-10-13-17)21(18)23(27)29-6-2/h8-10,12-13H,5-7,11,14-15H2,1-4H3
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1.32E+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))
BDBM50074237
PNG
(6-Ethyl-5-ethylsulfanylcarbonyl-2-(2-fluoro-phenyl...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)nc1-c1ccccc1F
Show InChI InChI=1S/C23H28FNO3S/c1-5-11-16-19(23(27)29-8-4)18(7-3)25-21(15-12-9-10-13-17(15)24)20(16)22(26)28-14-6-2/h9-10,12-13H,5-8,11,14H2,1-4H3
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1.35E+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 A2a


(Rattus norvegicus (rat))
BDBM50074238
PNG
(6-Ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-...)
Show SMILES CCCc1c(C(=O)SCC)c(CC)nc(-c2ccccc2)c1C(=O)OCC(F)(F)C(F)(F)F
Show InChI InChI=1S/C23H24F5NO3S/c1-4-10-15-17(21(31)33-6-3)16(5-2)29-19(14-11-8-7-9-12-14)18(15)20(30)32-13-22(24,25)23(26,27)28/h7-9,11-12H,4-6,10,13H2,1-3H3
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1.40E+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))
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))
BDBM50074222
PNG
(6-(2-Benzyloxy-ethyl)-5-ethylsulfanylcarbonyl-2-ph...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CCOCc2ccccc2)nc1-c1ccccc1
Show InChI InChI=1S/C30H35NO4S/c1-4-13-24-26(30(33)36-6-3)25(18-20-34-21-22-14-9-7-10-15-22)31-28(23-16-11-8-12-17-23)27(24)29(32)35-19-5-2/h7-12,14-17H,4-6,13,18-21H2,1-3H3
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1.60E+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 receptor A1


(Rattus norvegicus (rat))
BDBM50074226
PNG
(5-Ethylsulfanylcarbonyl-6-(2-fluoro-ethyl)-2-pheny...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CCF)nc1-c1ccccc1
Show InChI InChI=1S/C23H28FNO3S/c1-4-10-17-19(23(27)29-6-3)18(13-14-24)25-21(16-11-8-7-9-12-16)20(17)22(26)28-15-5-2/h7-9,11-12H,4-6,10,13-15H2,1-3H3
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1.98E+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 A2a


(Rattus norvegicus (rat))
BDBM50074216
PNG
(6-Ethyl-5-(2-fluoro-ethylsulfanylcarbonyl)-2-pheny...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCCF)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C23H28FNO3S/c1-4-10-17-19(23(27)29-15-13-24)18(6-3)25-21(16-11-8-7-9-12-16)20(17)22(26)28-14-5-2/h7-9,11-12H,4-6,10,13-15H2,1-3H3
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2.48E+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))
BDBM50074213
PNG
(5-Oxo-2-phenyl-4-propyl-7,8-dihydro-5H-thiopyrano[...)
Show SMILES CCCc1c(C(=O)OCC)c(nc2CCSC(=O)c12)-c1ccccc1
Show InChI InChI=1S/C20H21NO3S/c1-3-8-14-16-15(11-12-25-20(16)23)21-18(13-9-6-5-7-10-13)17(14)19(22)24-4-2/h5-7,9-10H,3-4,8,11-12H2,1-2H3
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2.51E+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 A2a


(Rattus norvegicus (rat))
BDBM50074228
PNG
(6-Ethyl-5-ethylsulfanylcarbonyl-4-(3-fluoro-propyl...)
Show SMILES CCCOC(=O)c1c(CCCF)c(C(=O)SCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C23H28FNO3S/c1-4-15-28-22(26)20-17(13-10-14-24)19(23(27)29-6-3)18(5-2)25-21(20)16-11-8-7-9-12-16/h7-9,11-12H,4-6,10,13-15H2,1-3H3
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2.74E+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 A2a


(Rattus norvegicus (rat))
BDBM50074218
PNG
(6-Ethyl-5-ethylsulfanylcarbonyl-2-(3-fluoro-phenyl...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)nc1-c1cccc(F)c1
Show InChI InChI=1S/C23H28FNO3S/c1-5-10-17-19(23(27)29-8-4)18(7-3)25-21(15-11-9-12-16(24)14-15)20(17)22(26)28-13-6-2/h9,11-12,14H,5-8,10,13H2,1-4H3
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2.81E+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 A2a


(Rattus norvegicus (rat))
BDBM50074234
PNG
(5-Ethylsulfanylcarbonyl-6-(2-hydroxy-ethyl)-2-phen...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CCO)nc1-c1ccccc1
Show InChI InChI=1S/C23H29NO4S/c1-4-10-17-19(23(27)29-6-3)18(13-14-25)24-21(16-11-8-7-9-12-16)20(17)22(26)28-15-5-2/h7-9,11-12,25H,4-6,10,13-15H2,1-3H3
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2.91E+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 A2a


(Rattus norvegicus (rat))
BDBM50074226
PNG
(5-Ethylsulfanylcarbonyl-6-(2-fluoro-ethyl)-2-pheny...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CCF)nc1-c1ccccc1
Show InChI InChI=1S/C23H28FNO3S/c1-4-10-17-19(23(27)29-6-3)18(13-14-24)25-21(16-11-8-7-9-12-16)20(17)22(26)28-15-5-2/h7-9,11-12H,4-6,10,13-15H2,1-3H3
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3.08E+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))
BDBM50074217
PNG
(6-Ethyl-5-ethylsulfanylcarbonyl-2-(4-fluoro-phenyl...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)nc1-c1ccc(F)cc1
Show InChI InChI=1S/C23H28FNO3S/c1-5-9-17-19(23(27)29-8-4)18(7-3)25-21(15-10-12-16(24)13-11-15)20(17)22(26)28-14-6-2/h10-13H,5-9,14H2,1-4H3
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4.10E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of 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


(Rattus norvegicus (rat))
BDBM50074213
PNG
(5-Oxo-2-phenyl-4-propyl-7,8-dihydro-5H-thiopyrano[...)
Show SMILES CCCc1c(C(=O)OCC)c(nc2CCSC(=O)c12)-c1ccccc1
Show InChI InChI=1S/C20H21NO3S/c1-3-8-14-16-15(11-12-25-20(16)23)21-18(13-9-6-5-7-10-13)17(14)19(22)24-4-2/h5-7,9-10H,3-4,8,11-12H2,1-2H3
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4.36E+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 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))
BDBM50074227
PNG
(2-(3-Chloro-phenyl)-4,6-diethyl-5-hexylsulfanylcar...)
Show SMILES CCCCCCSC(=O)c1c(CC)nc(-c2cccc(Cl)c2)c(C(=O)OCCC)c1CC
Show InChI InChI=1S/C26H34ClNO3S/c1-5-9-10-11-16-32-26(30)22-20(7-3)23(25(29)31-15-6-2)24(28-21(22)8-4)18-13-12-14-19(27)17-18/h12-14,17H,5-11,15-16H2,1-4H3
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1.13E+5n/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
* indicates data uncertainty>20%