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Compile Data Set for Download or QSAR

Found 379 hits with Last Name = 'caamaño' and Initial = 'o'   
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 A1


(Homo sapiens (Human))
BDBM50258734
PNG
(CHEMBL512276 | [4-(2,3,4,5-Tetrahydro-2,4-dioxo-1,...)
Show SMILES CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(COC(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H27FN4O4/c1-3-13-30-22-15-21(29-23(22)24(32)31(14-4-2)26(30)34)18-7-5-17(6-8-18)16-35-25(33)28-20-11-9-19(27)10-12-20/h5-12,15,29H,3-4,13-14,16H2,1-2H3,(H,28,33)
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0.400n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHO cells by beta scintillation counter


Bioorg Med Chem 17: 3618-29 (2009)


Article DOI: 10.1016/j.bmc.2009.03.062
BindingDB Entry DOI: 10.7270/Q2Q81D07
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50258672
PNG
(CHEMBL513681 | [4-(2,3,4,5-Tetrahydro-1,3-dimethyl...)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(COC(=O)Nc2ccsc2)cc1
Show InChI InChI=1S/C20H18N4O4S/c1-23-16-9-15(22-17(16)18(25)24(2)20(23)27)13-5-3-12(4-6-13)10-28-19(26)21-14-7-8-29-11-14/h3-9,11,22H,10H2,1-2H3,(H,21,26)
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0.800n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells by beta scintillation counter


Bioorg Med Chem 17: 3618-29 (2009)


Article DOI: 10.1016/j.bmc.2009.03.062
BindingDB Entry DOI: 10.7270/Q2Q81D07
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50258762
PNG
(CHEMBL466035 | [4-(2,3,4,5-Tetrahydro-2,4-dioxo-1,...)
Show SMILES CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(COC(=O)Nc2ccon2)cc1
Show InChI InChI=1S/C23H25N5O5/c1-3-10-27-18-13-17(24-20(18)21(29)28(11-4-2)23(27)31)16-7-5-15(6-8-16)14-32-22(30)25-19-9-12-33-26-19/h5-9,12-13,24H,3-4,10-11,14H2,1-2H3,(H,25,26,30)
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1.70n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells by beta scintillation counter


Bioorg Med Chem 17: 3618-29 (2009)


Article DOI: 10.1016/j.bmc.2009.03.062
BindingDB Entry DOI: 10.7270/Q2Q81D07
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50416331
PNG
(CHEMBL1170167)
Show SMILES CCCn1c(=O)[nH]c2cc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C23H21BrN4O4/c1-2-11-28-22(30)21-19(27-23(28)31)12-18(26-21)14-3-9-17(10-4-14)32-13-20(29)25-16-7-5-15(24)6-8-16/h3-10,12,26H,2,11,13H2,1H3,(H,25,29)(H,27,31)
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1.74n/an/an/an/an/an/an/an/a



Universidade de A Coru£a

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHO-A1 cells after 60 mins


Eur J Med Chem 45: 2884-92 (2010)


Article DOI: 10.1016/j.ejmech.2010.03.011
BindingDB Entry DOI: 10.7270/Q2T72JPT
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50258734
PNG
(CHEMBL512276 | [4-(2,3,4,5-Tetrahydro-2,4-dioxo-1,...)
Show SMILES CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(COC(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H27FN4O4/c1-3-13-30-22-15-21(29-23(22)24(32)31(14-4-2)26(30)34)18-7-5-17(6-8-18)16-35-25(33)28-20-11-9-19(27)10-12-20/h5-12,15,29H,3-4,13-14,16H2,1-2H3,(H,28,33)
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2n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells by beta scintillation counter


Bioorg Med Chem 17: 3618-29 (2009)


Article DOI: 10.1016/j.bmc.2009.03.062
BindingDB Entry DOI: 10.7270/Q2Q81D07
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50258707
PNG
(CHEMBL469136 | [4-(2,3,4,5-Tetrahydro-1,3-dimethyl...)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(COC(=O)N2CCc3ccccc3C2)cc1
Show InChI InChI=1S/C25H24N4O4/c1-27-21-13-20(26-22(21)23(30)28(2)24(27)31)18-9-7-16(8-10-18)15-33-25(32)29-12-11-17-5-3-4-6-19(17)14-29/h3-10,13,26H,11-12,14-15H2,1-2H3
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2.10n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells by beta scintillation counter


Bioorg Med Chem 17: 3618-29 (2009)


Article DOI: 10.1016/j.bmc.2009.03.062
BindingDB Entry DOI: 10.7270/Q2Q81D07
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50157669
PNG
(CHEMBL225460 | cyclopentane carboxylic acid (4,6di...)
Show SMILES O=C(Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1)C1CCCC1
Show InChI InChI=1S/C22H21N3O/c26-21(18-13-7-8-14-18)25-22-23-19(16-9-3-1-4-10-16)15-20(24-22)17-11-5-2-6-12-17/h1-6,9-12,15,18H,7-8,13-14H2,(H,23,24,25,26)
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2.14n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 54: 457-71 (2011)


Article DOI: 10.1021/jm100843z
BindingDB Entry DOI: 10.7270/Q28P60SK
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50258620
PNG
(CHEMBL512290 | [4-(2,3,4,5-Tetrahydro-1,3-dimethyl...)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(COC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C22H20N4O4/c1-25-18-12-17(24-19(18)20(27)26(2)22(25)29)15-10-8-14(9-11-15)13-30-21(28)23-16-6-4-3-5-7-16/h3-12,24H,13H2,1-2H3,(H,23,28)
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2.20n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHO cells by beta scintillation counter


Bioorg Med Chem 17: 3618-29 (2009)


Article DOI: 10.1016/j.bmc.2009.03.062
BindingDB Entry DOI: 10.7270/Q2Q81D07
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50416330
PNG
(CHEMBL1170166)
Show SMILES CCCn1c(=O)[nH]c2cc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C23H21FN4O4/c1-2-11-28-22(30)21-19(27-23(28)31)12-18(26-21)14-3-9-17(10-4-14)32-13-20(29)25-16-7-5-15(24)6-8-16/h3-10,12,26H,2,11,13H2,1H3,(H,25,29)(H,27,31)
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2.34n/an/an/an/an/an/an/an/a



Universidade de A Coru£a

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells after 30 mins


Eur J Med Chem 45: 2884-92 (2010)


Article DOI: 10.1016/j.ejmech.2010.03.011
BindingDB Entry DOI: 10.7270/Q2T72JPT
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50258620
PNG
(CHEMBL512290 | [4-(2,3,4,5-Tetrahydro-1,3-dimethyl...)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(COC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C22H20N4O4/c1-25-18-12-17(24-19(18)20(27)26(2)22(25)29)15-10-8-14(9-11-15)13-30-21(28)23-16-6-4-3-5-7-16/h3-12,24H,13H2,1-2H3,(H,23,28)
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2.80n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells by beta scintillation counter


Bioorg Med Chem 17: 3618-29 (2009)


Article DOI: 10.1016/j.bmc.2009.03.062
BindingDB Entry DOI: 10.7270/Q2Q81D07
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50414353
PNG
(CHEMBL563425)
Show SMILES CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C25H26BrN5O5/c1-3-30-24(33)21-23(31(25(30)34)13-4-14-35-2)29-22(28-21)16-5-11-19(12-6-16)36-15-20(32)27-18-9-7-17(26)8-10-18/h5-12H,3-4,13-15H2,1-2H3,(H,27,32)(H,28,29)
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2.88n/an/an/an/an/an/an/an/a



Universidade de A Coru£a

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2b receptor expressed in HEK293 cells


Bioorg Med Chem 17: 3426-32 (2009)


Article DOI: 10.1016/j.bmc.2009.03.029
BindingDB Entry DOI: 10.7270/Q2XD12XF
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50335694
PNG
(CHEMBL1650384 | N-2,6-difuran-2-yl)pyrimidin-4-yl)...)
Show SMILES CC(=O)Nc1cc(nc(n1)-c1ccco1)-c1ccco1
Show InChI InChI=1S/C14H11N3O3/c1-9(18)15-13-8-10(11-4-2-6-19-11)16-14(17-13)12-5-3-7-20-12/h2-8H,1H3,(H,15,16,17,18)
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3n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells by liquid scintillation counting


J Med Chem 54: 457-71 (2011)


Article DOI: 10.1021/jm100843z
BindingDB Entry DOI: 10.7270/Q28P60SK
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50414355
PNG
(CHEMBL560624)
Show SMILES CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C25H27N5O5/c1-3-29-24(32)21-23(30(25(29)33)14-7-15-34-2)28-22(27-21)17-10-12-19(13-11-17)35-16-20(31)26-18-8-5-4-6-9-18/h4-6,8-13H,3,7,14-16H2,1-2H3,(H,26,31)(H,27,28)
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3.02n/an/an/an/an/an/an/an/a



Universidade de A Coru£a

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2b receptor expressed in HEK293 cells


Bioorg Med Chem 17: 3426-32 (2009)


Article DOI: 10.1016/j.bmc.2009.03.029
BindingDB Entry DOI: 10.7270/Q2XD12XF
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50414354
PNG
(CHEMBL551904)
Show SMILES CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C25H26FN5O5/c1-3-30-24(33)21-23(31(25(30)34)13-4-14-35-2)29-22(28-21)16-5-11-19(12-6-16)36-15-20(32)27-18-9-7-17(26)8-10-18/h5-12H,3-4,13-15H2,1-2H3,(H,27,32)(H,28,29)
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3.02n/an/an/an/an/an/an/an/a



Universidade de A Coru£a

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2b receptor expressed in HEK293 cells


Bioorg Med Chem 17: 3426-32 (2009)


Article DOI: 10.1016/j.bmc.2009.03.029
BindingDB Entry DOI: 10.7270/Q2XD12XF
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50258675
PNG
(CHEMBL468506 | [4-(2,3,4,5-Tetrahydro-1,3-dimethyl...)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(COC(=O)Nc2ccco2)cc1
Show InChI InChI=1S/C20H18N4O5/c1-23-15-10-14(21-17(15)18(25)24(2)20(23)27)13-7-5-12(6-8-13)11-29-19(26)22-16-4-3-9-28-16/h3-10,21H,11H2,1-2H3,(H,22,26)
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3.20n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells by beta scintillation counter


Bioorg Med Chem 17: 3618-29 (2009)


Article DOI: 10.1016/j.bmc.2009.03.062
BindingDB Entry DOI: 10.7270/Q2Q81D07
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50335734
PNG
(CHEMBL1650379 | N-2,6-dibenzo[d][1,3]dioxol-6-yl)p...)
Show SMILES CC(=O)Nc1cc(nc(n1)-c1ccc2OCOc2c1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C20H15N3O5/c1-11(24)21-19-8-14(12-2-4-15-17(6-12)27-9-25-15)22-20(23-19)13-3-5-16-18(7-13)28-10-26-16/h2-8H,9-10H2,1H3,(H,21,22,23,24)
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3.30n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells by liquid scintillation counting


J Med Chem 54: 457-71 (2011)


Article DOI: 10.1021/jm100843z
BindingDB Entry DOI: 10.7270/Q28P60SK
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50416331
PNG
(CHEMBL1170167)
Show SMILES CCCn1c(=O)[nH]c2cc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C23H21BrN4O4/c1-2-11-28-22(30)21-19(27-23(28)31)12-18(26-21)14-3-9-17(10-4-14)32-13-20(29)25-16-7-5-15(24)6-8-16/h3-10,12,26H,2,11,13H2,1H3,(H,25,29)(H,27,31)
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3.55n/an/an/an/an/an/an/an/a



Universidade de A Coru£a

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells after 30 mins


Eur J Med Chem 45: 2884-92 (2010)


Article DOI: 10.1016/j.ejmech.2010.03.011
BindingDB Entry DOI: 10.7270/Q2T72JPT
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50335712
PNG
(CHEMBL1650356 | N-2,6-bis4-methoxyphenyl)pyrimidin...)
Show SMILES CCC(=O)Nc1cc(nc(n1)-c1ccc(OC)cc1)-c1ccc(OC)cc1
Show InChI InChI=1S/C21H21N3O3/c1-4-20(25)23-19-13-18(14-5-9-16(26-2)10-6-14)22-21(24-19)15-7-11-17(27-3)12-8-15/h5-13H,4H2,1-3H3,(H,22,23,24,25)
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3.60n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells by liquid scintillation counting


J Med Chem 54: 457-71 (2011)


Article DOI: 10.1021/jm100843z
BindingDB Entry DOI: 10.7270/Q28P60SK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50335711
PNG
(CHEMBL1650355 | N-2,6-bis4-methoxyphenyl)pyrimidin...)
Show SMILES COc1ccc(cc1)-c1cc(NC(C)=O)nc(n1)-c1ccc(OC)cc1
Show InChI InChI=1S/C20H19N3O3/c1-13(24)21-19-12-18(14-4-8-16(25-2)9-5-14)22-20(23-19)15-6-10-17(26-3)11-7-15/h4-12H,1-3H3,(H,21,22,23,24)
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3.60n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells by liquid scintillation counting


J Med Chem 54: 457-71 (2011)


Article DOI: 10.1021/jm100843z
BindingDB Entry DOI: 10.7270/Q28P60SK
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50157673
PNG
(CHEMBL222719 | LUF-5735 | N-(4,6-diphenylpyrimidin...)
Show SMILES CCCC(=O)Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C20H19N3O/c1-2-9-19(24)23-20-21-17(15-10-5-3-6-11-15)14-18(22-20)16-12-7-4-8-13-16/h3-8,10-14H,2,9H2,1H3,(H,21,22,23,24)
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3.70n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 54: 457-71 (2011)


Article DOI: 10.1021/jm100843z
BindingDB Entry DOI: 10.7270/Q28P60SK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50335707
PNG
(CHEMBL1650349 | N-2,6-di-p-tolylpyrimidin-4-yl)ace...)
Show SMILES CC(=O)Nc1cc(nc(n1)-c1ccc(C)cc1)-c1ccc(C)cc1
Show InChI InChI=1S/C20H19N3O/c1-13-4-8-16(9-5-13)18-12-19(21-15(3)24)23-20(22-18)17-10-6-14(2)7-11-17/h4-12H,1-3H3,(H,21,22,23,24)
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4.40n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells by liquid scintillation counting


J Med Chem 54: 457-71 (2011)


Article DOI: 10.1021/jm100843z
BindingDB Entry DOI: 10.7270/Q28P60SK
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50335693
PNG
(CHEMBL1650380 | N-2,6-dibenzo[d][1,3]dioxol-6-yl)p...)
Show SMILES CCC(=O)Nc1cc(nc(n1)-c1ccc2OCOc2c1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C21H17N3O5/c1-2-20(25)23-19-9-14(12-3-5-15-17(7-12)28-10-26-15)22-21(24-19)13-4-6-16-18(8-13)29-11-27-16/h3-9H,2,10-11H2,1H3,(H,22,23,24,25)
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5.28n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 54: 457-71 (2011)


Article DOI: 10.1021/jm100843z
BindingDB Entry DOI: 10.7270/Q28P60SK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50335731
PNG
(CHEMBL1650376 | N-2,6-bis2,4-dimethoxyphenyl)pyrim...)
Show SMILES COc1ccc(c(OC)c1)-c1cc(NC(C)=O)nc(n1)-c1ccc(OC)cc1OC
Show InChI InChI=1S/C22H23N3O5/c1-13(26)23-21-12-18(16-8-6-14(27-2)10-19(16)29-4)24-22(25-21)17-9-7-15(28-3)11-20(17)30-5/h6-12H,1-5H3,(H,23,24,25,26)
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5.40n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells by liquid scintillation counting


J Med Chem 54: 457-71 (2011)


Article DOI: 10.1021/jm100843z
BindingDB Entry DOI: 10.7270/Q28P60SK
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50335696
PNG
(CHEMBL1650386 | N-2,6-difuran-2-yl)pyrimidin-4-yl)...)
Show SMILES CCCC(=O)Nc1cc(nc(n1)-c1ccco1)-c1ccco1
Show InChI InChI=1S/C16H15N3O3/c1-2-5-15(20)18-14-10-11(12-6-3-8-21-12)17-16(19-14)13-7-4-9-22-13/h3-4,6-10H,2,5H2,1H3,(H,17,18,19,20)
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5.70n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM2413853 from human adenosine A2A receptor expressed in human HeLa cells by liquid scintillation counting


J Med Chem 54: 457-71 (2011)


Article DOI: 10.1021/jm100843z
BindingDB Entry DOI: 10.7270/Q28P60SK
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50258763
PNG
(CHEMBL466453 | [4-(2,3,4,5-Tetrahydro-2,4-dioxo-1,...)
Show SMILES CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(COC(=O)Nc2ccn[nH]2)cc1
Show InChI InChI=1S/C23H26N6O4/c1-3-11-28-18-13-17(25-20(18)21(30)29(12-4-2)23(28)32)16-7-5-15(6-8-16)14-33-22(31)26-19-9-10-24-27-19/h5-10,13,25H,3-4,11-12,14H2,1-2H3,(H2,24,26,27,31)
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5.90n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells by beta scintillation counter


Bioorg Med Chem 17: 3618-29 (2009)


Article DOI: 10.1016/j.bmc.2009.03.062
BindingDB Entry DOI: 10.7270/Q2Q81D07
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50335695
PNG
(CHEMBL1650385 | N-2,6-difuran-2-yl)pyrimidin-4-yl)...)
Show SMILES CCC(=O)Nc1cc(nc(n1)-c1ccco1)-c1ccco1
Show InChI InChI=1S/C15H13N3O3/c1-2-14(19)17-13-9-10(11-5-3-7-20-11)16-15(18-13)12-6-4-8-21-12/h3-9H,2H2,1H3,(H,16,17,18,19)
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6.20n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells by liquid scintillation counting


J Med Chem 54: 457-71 (2011)


Article DOI: 10.1021/jm100843z
BindingDB Entry DOI: 10.7270/Q28P60SK
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50335695
PNG
(CHEMBL1650385 | N-2,6-difuran-2-yl)pyrimidin-4-yl)...)
Show SMILES CCC(=O)Nc1cc(nc(n1)-c1ccco1)-c1ccco1
Show InChI InChI=1S/C15H13N3O3/c1-2-14(19)17-13-9-10(11-5-3-7-20-11)16-15(18-13)12-6-4-8-21-12/h3-9H,2H2,1H3,(H,16,17,18,19)
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6.40n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM2413853 from human adenosine A2A receptor expressed in human HeLa cells by liquid scintillation counting


J Med Chem 54: 457-71 (2011)


Article DOI: 10.1021/jm100843z
BindingDB Entry DOI: 10.7270/Q28P60SK
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50258709
PNG
(CHEMBL466021 | [4-(2,3,4,5-Tetrahydro-2,4-dioxo-1,...)
Show SMILES CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(COC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C26H28N4O4/c1-3-14-29-22-16-21(28-23(22)24(31)30(15-4-2)26(29)33)19-12-10-18(11-13-19)17-34-25(32)27-20-8-6-5-7-9-20/h5-13,16,28H,3-4,14-15,17H2,1-2H3,(H,27,32)
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7.10n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells by beta scintillation counter


Bioorg Med Chem 17: 3618-29 (2009)


Article DOI: 10.1016/j.bmc.2009.03.062
BindingDB Entry DOI: 10.7270/Q2Q81D07
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50415167
PNG
(CHEMBL606753)
Show SMILES CCn1c(=O)n(Cc2ccco2)c2nc(Cc3cccs3)n(C)c2c1=O
Show InChI InChI=1S/C18H18N4O3S/c1-3-21-17(23)15-16(22(18(21)24)11-12-6-4-8-25-12)19-14(20(15)2)10-13-7-5-9-26-13/h4-9H,3,10-11H2,1-2H3
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7.41n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells


Bioorg Med Chem 17: 6755-60 (2009)


Article DOI: 10.1016/j.bmc.2009.07.034
BindingDB Entry DOI: 10.7270/Q24T6KMH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50335696
PNG
(CHEMBL1650386 | N-2,6-difuran-2-yl)pyrimidin-4-yl)...)
Show SMILES CCCC(=O)Nc1cc(nc(n1)-c1ccco1)-c1ccco1
Show InChI InChI=1S/C16H15N3O3/c1-2-5-15(20)18-14-10-11(12-6-3-8-21-12)17-16(19-14)13-7-4-9-22-13/h3-4,6-10H,2,5H2,1H3,(H,17,18,19,20)
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7.80n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 54: 457-71 (2011)


Article DOI: 10.1021/jm100843z
BindingDB Entry DOI: 10.7270/Q28P60SK
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50258737
PNG
(CHEMBL467271 | [4-(2,3,4,5-Tetrahydro-2,4-dioxo-1,...)
Show SMILES CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(COC(=O)Nc2cnccn2)cc1
Show InChI InChI=1S/C24H26N6O4/c1-3-11-29-19-13-18(27-21(19)22(31)30(12-4-2)24(29)33)17-7-5-16(6-8-17)15-34-23(32)28-20-14-25-9-10-26-20/h5-10,13-14,27H,3-4,11-12,15H2,1-2H3,(H,26,28,32)
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7.80n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells by beta scintillation counter


Bioorg Med Chem 17: 3618-29 (2009)


Article DOI: 10.1016/j.bmc.2009.03.062
BindingDB Entry DOI: 10.7270/Q2Q81D07
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50335738
PNG
(CHEMBL1650387 | N-2,6-dithiophen-2-yl)pyrimidin-4-...)
Show SMILES CC(=O)Nc1cc(nc(n1)-c1cccs1)-c1cccs1
Show InChI InChI=1S/C14H11N3OS2/c1-9(18)15-13-8-10(11-4-2-6-19-11)16-14(17-13)12-5-3-7-20-12/h2-8H,1H3,(H,15,16,17,18)
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8n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells by liquid scintillation counting


J Med Chem 54: 457-71 (2011)


Article DOI: 10.1021/jm100843z
BindingDB Entry DOI: 10.7270/Q28P60SK
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50335694
PNG
(CHEMBL1650384 | N-2,6-difuran-2-yl)pyrimidin-4-yl)...)
Show SMILES CC(=O)Nc1cc(nc(n1)-c1ccco1)-c1ccco1
Show InChI InChI=1S/C14H11N3O3/c1-9(18)15-13-8-10(11-4-2-6-19-11)16-14(17-13)12-5-3-7-20-12/h2-8H,1H3,(H,15,16,17,18)
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8.10n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM2413853 from human adenosine A2A receptor expressed in human HeLa cells by liquid scintillation counting


J Med Chem 54: 457-71 (2011)


Article DOI: 10.1021/jm100843z
BindingDB Entry DOI: 10.7270/Q28P60SK
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50335750
PNG
(CHEMBL1650402 | N-(4,6-diphenylpyrimidin-2-yl)-3,3...)
Show SMILES CC(C)(C)CC(=O)Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H23N3O/c1-22(2,3)15-20(26)25-21-23-18(16-10-6-4-7-11-16)14-19(24-21)17-12-8-5-9-13-17/h4-14H,15H2,1-3H3,(H,23,24,25,26)
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8.75n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 54: 457-71 (2011)


Article DOI: 10.1021/jm100843z
BindingDB Entry DOI: 10.7270/Q28P60SK
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50157654
PNG
(CHEMBL376778 | LUF-5737 | N-(4,6-diphenylpyrimidin...)
Show SMILES CC(C)C(=O)Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C20H19N3O/c1-14(2)19(24)23-20-21-17(15-9-5-3-6-10-15)13-18(22-20)16-11-7-4-8-12-16/h3-14H,1-2H3,(H,21,22,23,24)
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8.87n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 54: 457-71 (2011)


Article DOI: 10.1021/jm100843z
BindingDB Entry DOI: 10.7270/Q28P60SK
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50414358
PNG
(CHEMBL557694)
Show SMILES CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C26H26N6O5/c1-3-31-25(34)22-24(32(26(31)35)13-4-14-36-2)30-23(29-22)18-7-11-20(12-8-18)37-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30)
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9.12n/an/an/an/an/an/an/an/a



Universidade de A Coru£a

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2b receptor expressed in HEK293 cells


Bioorg Med Chem 17: 3426-32 (2009)


Article DOI: 10.1016/j.bmc.2009.03.029
BindingDB Entry DOI: 10.7270/Q2XD12XF
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50258621
PNG
(CHEMBL469119 | [4-(2,3,4,5-Tetrahydro-1,3-dimethyl...)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(COC(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C22H19FN4O4/c1-26-18-11-17(25-19(18)20(28)27(2)22(26)30)14-5-3-13(4-6-14)12-31-21(29)24-16-9-7-15(23)8-10-16/h3-11,25H,12H2,1-2H3,(H,24,29)
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9.5n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells by beta scintillation counter


Bioorg Med Chem 17: 3618-29 (2009)


Article DOI: 10.1016/j.bmc.2009.03.062
BindingDB Entry DOI: 10.7270/Q2Q81D07
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50335735
PNG
(CHEMBL1650381 | N-2,6-dibenzo[d][1,3]dioxol-6-yl)p...)
Show SMILES CCCC(=O)Nc1cc(nc(n1)-c1ccc2OCOc2c1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C22H19N3O5/c1-2-3-21(26)24-20-10-15(13-4-6-16-18(8-13)29-11-27-16)23-22(25-20)14-5-7-17-19(9-14)30-12-28-17/h4-10H,2-3,11-12H2,1H3,(H,23,24,25,26)
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9.70n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 54: 457-71 (2011)


Article DOI: 10.1021/jm100843z
BindingDB Entry DOI: 10.7270/Q28P60SK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50335696
PNG
(CHEMBL1650386 | N-2,6-difuran-2-yl)pyrimidin-4-yl)...)
Show SMILES CCCC(=O)Nc1cc(nc(n1)-c1ccco1)-c1ccco1
Show InChI InChI=1S/C16H15N3O3/c1-2-5-15(20)18-14-10-11(12-6-3-8-21-12)17-16(19-14)13-7-4-9-22-13/h3-4,6-10H,2,5H2,1H3,(H,17,18,19,20)
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9.90n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells by liquid scintillation counting


J Med Chem 54: 457-71 (2011)


Article DOI: 10.1021/jm100843z
BindingDB Entry DOI: 10.7270/Q28P60SK
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50258763
PNG
(CHEMBL466453 | [4-(2,3,4,5-Tetrahydro-2,4-dioxo-1,...)
Show SMILES CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(COC(=O)Nc2ccn[nH]2)cc1
Show InChI InChI=1S/C23H26N6O4/c1-3-11-28-18-13-17(25-20(18)21(30)29(12-4-2)23(28)32)16-7-5-15(6-8-16)14-33-22(31)26-19-9-10-24-27-19/h5-10,13,25H,3-4,11-12,14H2,1-2H3,(H2,24,26,27,31)
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10n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human recombinant adenosine A2A receptor expressed in HeLa cells by beta scintillation counter


Bioorg Med Chem 17: 3618-29 (2009)


Article DOI: 10.1016/j.bmc.2009.03.062
BindingDB Entry DOI: 10.7270/Q2Q81D07
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50258673
PNG
(CHEMBL468295 | [4-(2,3,4,5-Tetrahydro-1,3-dimethyl...)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(COC(=O)Nc2cccs2)cc1
Show InChI InChI=1S/C20H18N4O4S/c1-23-15-10-14(21-17(15)18(25)24(2)20(23)27)13-7-5-12(6-8-13)11-28-19(26)22-16-4-3-9-29-16/h3-10,21H,11H2,1-2H3,(H,22,26)
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10n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells by beta scintillation counter


Bioorg Med Chem 17: 3618-29 (2009)


Article DOI: 10.1016/j.bmc.2009.03.062
BindingDB Entry DOI: 10.7270/Q2Q81D07
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50258672
PNG
(CHEMBL513681 | [4-(2,3,4,5-Tetrahydro-1,3-dimethyl...)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(COC(=O)Nc2ccsc2)cc1
Show InChI InChI=1S/C20H18N4O4S/c1-23-16-9-15(22-17(16)18(25)24(2)20(23)27)13-5-3-12(4-6-13)10-28-19(26)21-14-7-8-29-11-14/h3-9,11,22H,10H2,1-2H3,(H,21,26)
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10n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHO cells by beta scintillation counter


Bioorg Med Chem 17: 3618-29 (2009)


Article DOI: 10.1016/j.bmc.2009.03.062
BindingDB Entry DOI: 10.7270/Q2Q81D07
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50335697
PNG
(CHEMBL1650390 | N-2,6-difuran-3-yl)pyrimidin-4-yl)...)
Show SMILES CC(=O)Nc1cc(nc(n1)-c1ccoc1)-c1ccoc1
Show InChI InChI=1S/C14H11N3O3/c1-9(18)15-13-6-12(10-2-4-19-7-10)16-14(17-13)11-3-5-20-8-11/h2-8H,1H3,(H,15,16,17,18)
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10.1n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells by liquid scintillation counting


J Med Chem 54: 457-71 (2011)


Article DOI: 10.1021/jm100843z
BindingDB Entry DOI: 10.7270/Q28P60SK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50335733
PNG
(CHEMBL1650378 | N-2,6-bis2,4-dimethoxyphenyl)pyrim...)
Show SMILES CCCC(=O)Nc1cc(nc(n1)-c1ccc(OC)cc1OC)-c1ccc(OC)cc1OC
Show InChI InChI=1S/C24H27N3O5/c1-6-7-23(28)26-22-14-19(17-10-8-15(29-2)12-20(17)31-4)25-24(27-22)18-11-9-16(30-3)13-21(18)32-5/h8-14H,6-7H2,1-5H3,(H,25,26,27,28)
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10.2n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells by liquid scintillation counting


J Med Chem 54: 457-71 (2011)


Article DOI: 10.1021/jm100843z
BindingDB Entry DOI: 10.7270/Q28P60SK
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50258672
PNG
(CHEMBL513681 | [4-(2,3,4,5-Tetrahydro-1,3-dimethyl...)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(COC(=O)Nc2ccsc2)cc1
Show InChI InChI=1S/C20H18N4O4S/c1-23-16-9-15(22-17(16)18(25)24(2)20(23)27)13-5-3-12(4-6-13)10-28-19(26)21-14-7-8-29-11-14/h3-9,11,22H,10H2,1-2H3,(H,21,26)
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10.5n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human recombinant adenosine A2A receptor expressed in HeLa cells by beta scintillation counter


Bioorg Med Chem 17: 3618-29 (2009)


Article DOI: 10.1016/j.bmc.2009.03.062
BindingDB Entry DOI: 10.7270/Q2Q81D07
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50335713
PNG
(CHEMBL1650357 | N-2,6-bis4-methoxyphenyl)pyrimidin...)
Show SMILES CCCC(=O)Nc1cc(nc(n1)-c1ccc(OC)cc1)-c1ccc(OC)cc1
Show InChI InChI=1S/C22H23N3O3/c1-4-5-21(26)24-20-14-19(15-6-10-17(27-2)11-7-15)23-22(25-20)16-8-12-18(28-3)13-9-16/h6-14H,4-5H2,1-3H3,(H,23,24,25,26)
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11n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells by liquid scintillation counting


J Med Chem 54: 457-71 (2011)


Article DOI: 10.1021/jm100843z
BindingDB Entry DOI: 10.7270/Q28P60SK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50335732
PNG
(CHEMBL1650377 | N-2,6-bis2,4-dimethoxyphenyl)pyrim...)
Show SMILES CCC(=O)Nc1cc(nc(n1)-c1ccc(OC)cc1OC)-c1ccc(OC)cc1OC
Show InChI InChI=1S/C23H25N3O5/c1-6-22(27)25-21-13-18(16-9-7-14(28-2)11-19(16)30-4)24-23(26-21)17-10-8-15(29-3)12-20(17)31-5/h7-13H,6H2,1-5H3,(H,24,25,26,27)
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11.3n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells by liquid scintillation counting


J Med Chem 54: 457-71 (2011)


Article DOI: 10.1021/jm100843z
BindingDB Entry DOI: 10.7270/Q28P60SK
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50258706
PNG
(CHEMBL513135 | [4-(2,3,4,5-Tetrahydro-1,3-dimethyl...)
Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(COC(=O)N2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C26H27N5O4/c1-28-22-16-21(27-23(22)24(32)29(2)25(28)33)19-10-8-18(9-11-19)17-35-26(34)31-14-12-30(13-15-31)20-6-4-3-5-7-20/h3-11,16,27H,12-15,17H2,1-2H3
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11.5n/an/an/an/an/an/an/an/a



Universidade de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells by beta scintillation counter


Bioorg Med Chem 17: 3618-29 (2009)


Article DOI: 10.1016/j.bmc.2009.03.062
BindingDB Entry DOI: 10.7270/Q2Q81D07
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50414351
PNG
(CHEMBL561364)
Show SMILES CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(C)=O)cc1
Show InChI InChI=1S/C27H29N5O6/c1-4-31-26(35)23-25(32(27(31)36)14-5-15-37-3)30-24(29-23)19-8-12-21(13-9-19)38-16-22(34)28-20-10-6-18(7-11-20)17(2)33/h6-13H,4-5,14-16H2,1-3H3,(H,28,34)(H,29,30)
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11.8n/an/an/an/an/an/an/an/a



Universidade de A Coru£a

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2b receptor expressed in HEK293 cells


Bioorg Med Chem 17: 3426-32 (2009)


Article DOI: 10.1016/j.bmc.2009.03.029
BindingDB Entry DOI: 10.7270/Q2XD12XF
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50335694
PNG
(CHEMBL1650384 | N-2,6-difuran-2-yl)pyrimidin-4-yl)...)
Show SMILES CC(=O)Nc1cc(nc(n1)-c1ccco1)-c1ccco1
Show InChI InChI=1S/C14H11N3O3/c1-9(18)15-13-8-10(11-4-2-6-19-11)16-14(17-13)12-5-3-7-20-12/h2-8H,1H3,(H,15,16,17,18)
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12n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 54: 457-71 (2011)


Article DOI: 10.1021/jm100843z
BindingDB Entry DOI: 10.7270/Q28P60SK
More data for this
Ligand-Target Pair
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