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PubMed code 10514293

Compile data set for download or QSAR
Found 31 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))
BDBM50081671
PNG
(3-Ethoxycarbonyl-4,6-diethyl-5-ethylsulfanylcarbon...)
Show SMILES CCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)[n+](C)c1-c1ccccc1
Show InChI InChI=1S/C22H28NO3S/c1-6-16-18(22(25)27-9-4)17(7-2)23(5)20(15-13-11-10-12-14-15)19(16)21(24)26-8-3/h10-14H,6-9H2,1-5H3/q+1
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219n/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)


BindingDB Entry DOI: 10.7270/Q2V69HSC
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)


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


(Homo sapiens (Human))
BDBM50081680
PNG
(2,4-Diethyl-3-ethylsulfanylcarbonyl-5-(2-fluoro-et...)
Show SMILES CCSC(=O)c1c(CC)c(C(=O)OCCF)c(-c2ccccc2)[n+](C)c1CC
Show InChI InChI=1S/C22H27FNO3S/c1-5-16-18(22(26)28-7-3)17(6-2)24(4)20(15-11-9-8-10-12-15)19(16)21(25)27-14-13-23/h8-12H,5-7,13-14H2,1-4H3/q+1
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364n/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)


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


(Homo sapiens (Human))
BDBM50081679
PNG
(3-Ethoxycarbonyl-4-ethyl-5-ethylsulfanylcarbonyl-1...)
Show SMILES CCOC(=O)c1c(CC)c(C(=O)SCC)c(C)[n+](C)c1-c1ccccc1
Show InChI InChI=1S/C21H26NO3S/c1-6-16-17(21(24)26-8-3)14(4)22(5)19(15-12-10-9-11-13-15)18(16)20(23)25-7-2/h9-13H,6-8H2,1-5H3/q+1
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379n/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)


BindingDB Entry DOI: 10.7270/Q2V69HSC
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)


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)


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)


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)


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


(Homo sapiens (Human))
BDBM50081681
PNG
(3-Ethoxycarbonyl-1,4,6-triethyl-5-ethylsulfanylcar...)
Show SMILES CCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)[n+](CC)c1-c1ccccc1
Show InChI InChI=1S/C23H30NO3S/c1-6-17-19(23(26)28-10-5)18(7-2)24(8-3)21(16-14-12-11-13-15-16)20(17)22(25)27-9-4/h11-15H,6-10H2,1-5H3/q+1
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577n/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)


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


(Homo sapiens (Human))
BDBM50081675
PNG
(2-Cyclopentyl-3-ethoxycarbonyl-4,6-diethyl-5-ethyl...)
Show SMILES CCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)[n+](C)c1C1CCCC1
Show InChI InChI=1S/C21H32NO3S/c1-6-15-17(21(24)26-9-4)16(7-2)22(5)19(14-12-10-11-13-14)18(15)20(23)25-8-3/h14H,6-13H2,1-5H3/q+1
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695n/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)


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


(Homo sapiens (Human))
BDBM50081670
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)[n+](C)c1-c1ccccc1
Show InChI InChI=1S/C30H31N2O5S/c1-5-23-24(30(36)38-7-3)22(17-18-32-27(33)20-15-11-12-16-21(20)28(32)34)25(29(35)37-6-2)26(31(23)4)19-13-9-8-10-14-19/h8-16H,5-7,17-18H2,1-4H3/q+1
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1.25E+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)


BindingDB Entry DOI: 10.7270/Q2V69HSC
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)


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


(Homo sapiens (Human))
BDBM50081678
PNG
(2-Cyclobutyl-5-ethoxycarbonyl-4-ethyl-3-ethylsulfa...)
Show SMILES CCOC(=O)c1c(CC)c(C(=O)SCC)c(C2CCC2)[n+](C)c1-c1ccccc1
Show InChI InChI=1S/C24H30NO3S/c1-5-18-19(23(26)28-6-2)21(16-12-9-8-10-13-16)25(4)22(17-14-11-15-17)20(18)24(27)29-7-3/h8-10,12-13,17H,5-7,11,14-15H2,1-4H3/q+1
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1.41E+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)


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


(Rattus norvegicus (rat))
BDBM50081670
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)[n+](C)c1-c1ccccc1
Show InChI InChI=1S/C30H31N2O5S/c1-5-23-24(30(36)38-7-3)22(17-18-32-27(33)20-15-11-12-16-21(20)28(32)34)25(29(35)37-6-2)26(31(23)4)19-13-9-8-10-14-19/h8-16H,5-7,17-18H2,1-4H3/q+1
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1.53E+3n/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)


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)


BindingDB Entry DOI: 10.7270/Q2V69HSC
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50081670
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)[n+](C)c1-c1ccccc1
Show InChI InChI=1S/C30H31N2O5S/c1-5-23-24(30(36)38-7-3)22(17-18-32-27(33)20-15-11-12-16-21(20)28(32)34)25(29(35)37-6-2)26(31(23)4)19-13-9-8-10-14-19/h8-16H,5-7,17-18H2,1-4H3/q+1
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2.15E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


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


J Med Chem 42: 4232-8 (1999)


BindingDB Entry DOI: 10.7270/Q2V69HSC
More data for this
Ligand-Target Pair
Adenosine receptor 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)


BindingDB Entry DOI: 10.7270/Q2V69HSC
More data for this
Ligand-Target Pair
Adenosine receptor 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)


BindingDB Entry DOI: 10.7270/Q2V69HSC
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50081675
PNG
(2-Cyclopentyl-3-ethoxycarbonyl-4,6-diethyl-5-ethyl...)
Show SMILES CCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)[n+](C)c1C1CCCC1
Show InChI InChI=1S/C21H32NO3S/c1-6-15-17(21(24)26-9-4)16(7-2)22(5)19(14-12-10-11-13-14)18(15)20(23)25-8-3/h14H,6-13H2,1-5H3/q+1
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7.72E+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)


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


(Rattus norvegicus (rat))
BDBM50081675
PNG
(2-Cyclopentyl-3-ethoxycarbonyl-4,6-diethyl-5-ethyl...)
Show SMILES CCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)[n+](C)c1C1CCCC1
Show InChI InChI=1S/C21H32NO3S/c1-6-15-17(21(24)26-9-4)16(7-2)22(5)19(14-12-10-11-13-14)18(15)20(23)25-8-3/h14H,6-13H2,1-5H3/q+1
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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 [3H]-R-PIA from Adenosine A1 receptor of rat brain membranes


J Med Chem 42: 4232-8 (1999)


BindingDB Entry DOI: 10.7270/Q2V69HSC
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50081671
PNG
(3-Ethoxycarbonyl-4,6-diethyl-5-ethylsulfanylcarbon...)
Show SMILES CCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)[n+](C)c1-c1ccccc1
Show InChI InChI=1S/C22H28NO3S/c1-6-16-18(22(25)27-9-4)17(7-2)23(5)20(15-13-11-10-12-14-15)19(16)21(24)26-8-3/h10-14H,6-9H2,1-5H3/q+1
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1.16E+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)


BindingDB Entry DOI: 10.7270/Q2V69HSC
More data for this
Ligand-Target Pair
Adenosine receptor 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)


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)


BindingDB Entry DOI: 10.7270/Q2V69HSC
More data for this
Ligand-Target Pair
Adenosine receptor 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)


BindingDB Entry DOI: 10.7270/Q2V69HSC
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50081679
PNG
(3-Ethoxycarbonyl-4-ethyl-5-ethylsulfanylcarbonyl-1...)
Show SMILES CCOC(=O)c1c(CC)c(C(=O)SCC)c(C)[n+](C)c1-c1ccccc1
Show InChI InChI=1S/C21H26NO3S/c1-6-16-17(21(24)26-8-3)14(4)22(5)19(15-12-10-9-11-13-15)18(16)20(23)25-7-2/h9-13H,6-8H2,1-5H3/q+1
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2.08E+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)


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


(Rattus norvegicus (rat))
BDBM50081671
PNG
(3-Ethoxycarbonyl-4,6-diethyl-5-ethylsulfanylcarbon...)
Show SMILES CCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)[n+](C)c1-c1ccccc1
Show InChI InChI=1S/C22H28NO3S/c1-6-16-18(22(25)27-9-4)17(7-2)23(5)20(15-13-11-10-12-14-15)19(16)21(24)26-8-3/h10-14H,6-9H2,1-5H3/q+1
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3.19E+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)


BindingDB Entry DOI: 10.7270/Q2V69HSC
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50081678
PNG
(2-Cyclobutyl-5-ethoxycarbonyl-4-ethyl-3-ethylsulfa...)
Show SMILES CCOC(=O)c1c(CC)c(C(=O)SCC)c(C2CCC2)[n+](C)c1-c1ccccc1
Show InChI InChI=1S/C24H30NO3S/c1-5-18-19(23(26)28-6-2)21(16-12-9-8-10-13-16)25(4)22(17-14-11-15-17)20(18)24(27)29-7-3/h8-10,12-13,17H,5-7,11,14-15H2,1-4H3/q+1
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3.32E+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)


BindingDB Entry DOI: 10.7270/Q2V69HSC
More data for this
Ligand-Target Pair
Adenosine receptor 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)


BindingDB Entry DOI: 10.7270/Q2V69HSC
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50081680
PNG
(2,4-Diethyl-3-ethylsulfanylcarbonyl-5-(2-fluoro-et...)
Show SMILES CCSC(=O)c1c(CC)c(C(=O)OCCF)c(-c2ccccc2)[n+](C)c1CC
Show InChI InChI=1S/C22H27FNO3S/c1-5-16-18(22(26)28-7-3)17(6-2)24(4)20(15-11-9-8-10-12-15)19(16)21(25)27-14-13-23/h8-12H,5-7,13-14H2,1-4H3/q+1
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5.66E+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)


BindingDB Entry DOI: 10.7270/Q2V69HSC
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)


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


(Rattus norvegicus (rat))
BDBM50081678
PNG
(2-Cyclobutyl-5-ethoxycarbonyl-4-ethyl-3-ethylsulfa...)
Show SMILES CCOC(=O)c1c(CC)c(C(=O)SCC)c(C2CCC2)[n+](C)c1-c1ccccc1
Show InChI InChI=1S/C24H30NO3S/c1-5-18-19(23(26)28-6-2)21(16-12-9-8-10-13-16)25(4)22(17-14-11-15-17)20(18)24(27)29-7-3/h8-10,12-13,17H,5-7,11,14-15H2,1-4H3/q+1
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8.80E+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)


BindingDB Entry DOI: 10.7270/Q2V69HSC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%