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PubMed code 29614417

Compile data set for download or QSAR
Found 110 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 A1


(Homo sapiens (Human))
BDBM50369691
PNG
(CHEMBL4175366)
Show SMILES Cn1c(nc2c(NC3CCCC3)ncnc12)-c1ccccc1
Show InChI InChI=1S/C17H19N5/c1-22-16(12-7-3-2-4-8-12)21-14-15(18-11-19-17(14)22)20-13-9-5-6-10-13/h2-4,7-8,11,13H,5-6,9-10H2,1H3,(H,18,19,20)
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PubMed
2.80n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from recombinant human adenosine A1 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50369706
PNG
(CHEMBL4165013)
Show SMILES Cn1c(nc2c(NC3CCC3)ncnc12)-c1ccccc1
Show InChI InChI=1S/C16H17N5/c1-21-15(11-6-3-2-4-7-11)20-13-14(17-10-18-16(13)21)19-12-8-5-9-12/h2-4,6-7,10,12H,5,8-9H2,1H3,(H,17,18,19)
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3.20n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from recombinant human adenosine A1 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50369705
PNG
(CHEMBL4167491)
Show SMILES CCn1c(nc2c(NC3CCCC3)ncnc12)-c1ccccc1
Show InChI InChI=1S/C18H21N5/c1-2-23-17(13-8-4-3-5-9-13)22-15-16(19-12-20-18(15)23)21-14-10-6-7-11-14/h3-5,8-9,12,14H,2,6-7,10-11H2,1H3,(H,19,20,21)
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3.90n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from recombinant human adenosine A1 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50369688
PNG
(CHEMBL4167077)
Show SMILES Cn1c(nc2c(NC3CCCCC3)ncnc12)-c1ccccc1
Show InChI InChI=1S/C18H21N5/c1-23-17(13-8-4-2-5-9-13)22-15-16(19-12-20-18(15)23)21-14-10-6-3-7-11-14/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3,(H,19,20,21)
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5.70n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from recombinant human adenosine A1 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50369697
PNG
(CHEMBL4171919)
Show SMILES CCn1c(nc2c(NC3CCC3)ncnc12)-c1ccccc1
Show InChI InChI=1S/C17H19N5/c1-2-22-16(12-7-4-3-5-8-12)21-14-15(18-11-19-17(14)22)20-13-9-6-10-13/h3-5,7-8,11,13H,2,6,9-10H2,1H3,(H,18,19,20)
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6n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from recombinant human adenosine A1 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50369699
PNG
(CHEMBL4170850)
Show SMILES Cc1cccc(c1)-c1nc2c(NC3CCCC3)ncnc2n1C
Show InChI InChI=1S/C18H21N5/c1-12-6-5-7-13(10-12)17-22-15-16(21-14-8-3-4-9-14)19-11-20-18(15)23(17)2/h5-7,10-11,14H,3-4,8-9H2,1-2H3,(H,19,20,21)
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6.20n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from recombinant human adenosine A1 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50369701
PNG
(CHEMBL4177249)
Show SMILES Cn1c(nc2c(NC3CCCC3)ncnc12)-c1ccc(F)cc1
Show InChI InChI=1S/C17H18FN5/c1-23-16(11-6-8-12(18)9-7-11)22-14-15(19-10-20-17(14)23)21-13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,19,20,21)
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6.20n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from recombinant human adenosine A1 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50369698
PNG
(CHEMBL4170180)
Show SMILES Cn1c(nc2c(NC3CCCC3)ncnc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C17H18ClN5/c1-23-16(11-5-4-6-12(18)9-11)22-14-15(19-10-20-17(14)23)21-13-7-2-3-8-13/h4-6,9-10,13H,2-3,7-8H2,1H3,(H,19,20,21)
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6.5n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from recombinant human adenosine A1 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50369690
PNG
(CHEMBL4170460)
Show SMILES Cc1ccc(cc1)-c1nc2c(NC3CCCC3)ncnc2n1C
Show InChI InChI=1S/C18H21N5/c1-12-7-9-13(10-8-12)17-22-15-16(21-14-5-3-4-6-14)19-11-20-18(15)23(17)2/h7-11,14H,3-6H2,1-2H3,(H,19,20,21)
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8n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from recombinant human adenosine A1 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50369696
PNG
(CHEMBL4170873)
Show SMILES Cn1c(nc2c(NC3CCOC3)ncnc12)-c1ccccc1
Show InChI InChI=1S/C16H17N5O/c1-21-15(11-5-3-2-4-6-11)20-13-14(17-10-18-16(13)21)19-12-7-8-22-9-12/h2-6,10,12H,7-9H2,1H3,(H,17,18,19)
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8n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from recombinant human adenosine A1 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50369703
PNG
(CHEMBL4160264)
Show SMILES CCCn1c(nc2c(NC3CCCC3)ncnc12)-c1ccccc1
Show InChI InChI=1S/C19H23N5/c1-2-12-24-18(14-8-4-3-5-9-14)23-16-17(20-13-21-19(16)24)22-15-10-6-7-11-15/h3-5,8-9,13,15H,2,6-7,10-12H2,1H3,(H,20,21,22)
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10n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from recombinant human adenosine A1 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50369684
PNG
(CHEMBL4159165)
Show SMILES CCn1c(nc2c(NC3CCCCC3)ncnc12)-c1ccccc1
Show InChI InChI=1S/C19H23N5/c1-2-24-18(14-9-5-3-6-10-14)23-16-17(20-13-21-19(16)24)22-15-11-7-4-8-12-15/h3,5-6,9-10,13,15H,2,4,7-8,11-12H2,1H3,(H,20,21,22)
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10n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from recombinant human adenosine A1 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50369682
PNG
(CHEMBL4163630)
Show SMILES CCn1c(nc2c(NC3CCOC3)ncnc12)-c1ccccc1
Show InChI InChI=1S/C17H19N5O/c1-2-22-16(12-6-4-3-5-7-12)21-14-15(18-11-19-17(14)22)20-13-8-9-23-10-13/h3-7,11,13H,2,8-10H2,1H3,(H,18,19,20)
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10n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from recombinant human adenosine A1 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50369685
PNG
(CHEMBL4164048)
Show SMILES CCCn1c(nc2c(NC3CCC3)ncnc12)-c1ccccc1
Show InChI InChI=1S/C18H21N5/c1-2-11-23-17(13-7-4-3-5-8-13)22-15-16(19-12-20-18(15)23)21-14-9-6-10-14/h3-5,7-8,12,14H,2,6,9-11H2,1H3,(H,19,20,21)
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15n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from recombinant human adenosine A1 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50369704
PNG
(CHEMBL4174108)
Show SMILES Cn1c(nc2c(NC3CCCC3)ncnc12)-c1ccc(O)cc1
Show InChI InChI=1S/C17H19N5O/c1-22-16(11-6-8-13(23)9-7-11)21-14-15(18-10-19-17(14)22)20-12-4-2-3-5-12/h6-10,12,23H,2-5H2,1H3,(H,18,19,20)
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17n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from recombinant human adenosine A1 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50369686
PNG
(CHEMBL4159137)
Show SMILES Cn1c(nc2c(NC3CCCC3)ncnc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H18ClN5/c1-23-16(11-6-8-12(18)9-7-11)22-14-15(19-10-20-17(14)23)21-13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,19,20,21)
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18n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from recombinant human adenosine A1 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50228500
PNG
(CHEMBL424597)
Show SMILES Cn1c(nc2c(N)ncnc12)-c1ccccc1
Show InChI InChI=1S/C12H11N5/c1-17-11(8-5-3-2-4-6-8)16-9-10(13)14-7-15-12(9)17/h2-7H,1H3,(H2,13,14,15)
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23n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from recombinant human adenosine A1 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50369700
PNG
(CHEMBL4174308)
Show SMILES CCCn1c(nc2c(NC3CCOC3)ncnc12)-c1ccccc1
Show InChI InChI=1S/C18H21N5O/c1-2-9-23-17(13-6-4-3-5-7-13)22-15-16(19-12-20-18(15)23)21-14-8-10-24-11-14/h3-7,12,14H,2,8-11H2,1H3,(H,19,20,21)
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25n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from recombinant human adenosine A1 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50369707
PNG
(CHEMBL4163601)
Show SMILES CCCn1c(nc2c(NC3CCCCC3)ncnc12)-c1ccccc1
Show InChI InChI=1S/C20H25N5/c1-2-13-25-19(15-9-5-3-6-10-15)24-17-18(21-14-22-20(17)25)23-16-11-7-4-8-12-16/h3,5-6,9-10,14,16H,2,4,7-8,11-13H2,1H3,(H,21,22,23)
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27n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from recombinant human adenosine A1 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50369689
PNG
(CHEMBL4173347)
Show SMILES CCn1c(nc2c(N)ncnc12)-c1ccccc1
Show InChI InChI=1S/C13H13N5/c1-2-18-12(9-6-4-3-5-7-9)17-10-11(14)15-8-16-13(10)18/h3-8H,2H2,1H3,(H2,14,15,16)
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31n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from recombinant human adenosine A1 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50369694
PNG
(CHEMBL4161796)
Show SMILES Cn1c(nc2c(NC3CCCC3)ncnc12)-c1ccccc1Cl
Show InChI InChI=1S/C17H18ClN5/c1-23-16(12-8-4-5-9-13(12)18)22-14-15(19-10-20-17(14)23)21-11-6-2-3-7-11/h4-5,8-11H,2-3,6-7H2,1H3,(H,19,20,21)
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37n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from recombinant human adenosine A1 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50369692
PNG
(CHEMBL4160242)
Show SMILES Cc1ccccc1-c1nc2c(NC3CCCC3)ncnc2n1C
Show InChI InChI=1S/C18H21N5/c1-12-7-3-6-10-14(12)17-22-15-16(21-13-8-4-5-9-13)19-11-20-18(15)23(17)2/h3,6-7,10-11,13H,4-5,8-9H2,1-2H3,(H,19,20,21)
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55n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from recombinant human adenosine A1 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50369683
PNG
(CHEMBL4169401)
Show SMILES COc1ccc(cc1)-c1nc2c(NC3CCCC3)ncnc2n1C
Show InChI InChI=1S/C18H21N5O/c1-23-17(12-7-9-14(24-2)10-8-12)22-15-16(19-11-20-18(15)23)21-13-5-3-4-6-13/h7-11,13H,3-6H2,1-2H3,(H,19,20,21)
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75n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from recombinant human adenosine A1 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50369697
PNG
(CHEMBL4171919)
Show SMILES CCn1c(nc2c(NC3CCC3)ncnc12)-c1ccccc1
Show InChI InChI=1S/C17H19N5/c1-2-22-16(12-7-4-3-5-8-12)21-14-15(18-11-19-17(14)22)20-13-9-6-10-13/h3-5,7-8,11,13H,2,6,9-10H2,1H3,(H,18,19,20)
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84n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A3 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50369702
PNG
(CHEMBL4175631)
Show SMILES CCCn1c(nc2c(N)ncnc12)-c1ccccc1
Show InChI InChI=1S/C14H15N5/c1-2-8-19-13(10-6-4-3-5-7-10)18-11-12(15)16-9-17-14(11)19/h3-7,9H,2,8H2,1H3,(H2,15,16,17)
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101n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from recombinant human adenosine A1 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50369689
PNG
(CHEMBL4173347)
Show SMILES CCn1c(nc2c(N)ncnc12)-c1ccccc1
Show InChI InChI=1S/C13H13N5/c1-2-18-12(9-6-4-3-5-7-9)17-10-11(14)15-8-16-13(10)18/h3-8H,2H2,1H3,(H2,14,15,16)
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212n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A2A receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation count...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50369695
PNG
(CHEMBL4176479)
Show SMILES Cn1c(nc2c(NC3CCCC3)ncnc12)-c1cccnc1
Show InChI InChI=1S/C16H18N6/c1-22-15(11-5-4-8-17-9-11)21-13-14(18-10-19-16(13)22)20-12-6-2-3-7-12/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,18,19,20)
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242n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from recombinant human adenosine A1 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50369685
PNG
(CHEMBL4164048)
Show SMILES CCCn1c(nc2c(NC3CCC3)ncnc12)-c1ccccc1
Show InChI InChI=1S/C18H21N5/c1-2-11-23-17(13-7-4-3-5-8-13)22-15-16(19-12-20-18(15)23)21-14-9-6-10-14/h3-5,7-8,12,14H,2,6,9-11H2,1H3,(H,19,20,21)
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264n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A3 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50369698
PNG
(CHEMBL4170180)
Show SMILES Cn1c(nc2c(NC3CCCC3)ncnc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C17H18ClN5/c1-23-16(11-5-4-6-12(18)9-11)22-14-15(19-10-20-17(14)23)21-13-7-2-3-8-13/h4-6,9-10,13H,2-3,7-8H2,1H3,(H,19,20,21)
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267n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A2A receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation count...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50369706
PNG
(CHEMBL4165013)
Show SMILES Cn1c(nc2c(NC3CCC3)ncnc12)-c1ccccc1
Show InChI InChI=1S/C16H17N5/c1-21-15(11-6-3-2-4-7-11)20-13-14(17-10-18-16(13)21)19-12-8-5-9-12/h2-4,6-7,10,12H,5,8-9H2,1H3,(H,17,18,19)
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280n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A3 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50369706
PNG
(CHEMBL4165013)
Show SMILES Cn1c(nc2c(NC3CCC3)ncnc12)-c1ccccc1
Show InChI InChI=1S/C16H17N5/c1-21-15(11-6-3-2-4-7-11)20-13-14(17-10-18-16(13)21)19-12-8-5-9-12/h2-4,6-7,10,12H,5,8-9H2,1H3,(H,17,18,19)
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303n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A2A receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation count...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50369684
PNG
(CHEMBL4159165)
Show SMILES CCn1c(nc2c(NC3CCCCC3)ncnc12)-c1ccccc1
Show InChI InChI=1S/C19H23N5/c1-2-24-18(14-9-5-3-6-10-14)23-16-17(20-13-21-19(16)24)22-15-11-7-4-8-12-15/h3,5-6,9-10,13,15H,2,4,7-8,11-12H2,1H3,(H,20,21,22)
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307n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A2A receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation count...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50369705
PNG
(CHEMBL4167491)
Show SMILES CCn1c(nc2c(NC3CCCC3)ncnc12)-c1ccccc1
Show InChI InChI=1S/C18H21N5/c1-2-23-17(13-8-4-3-5-9-13)22-15-16(19-12-20-18(15)23)21-14-10-6-7-11-14/h3-5,8-9,12,14H,2,6-7,10-11H2,1H3,(H,19,20,21)
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334n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A2A receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation count...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50369705
PNG
(CHEMBL4167491)
Show SMILES CCn1c(nc2c(NC3CCCC3)ncnc12)-c1ccccc1
Show InChI InChI=1S/C18H21N5/c1-2-23-17(13-8-4-3-5-9-13)22-15-16(19-12-20-18(15)23)21-14-10-6-7-11-14/h3-5,8-9,12,14H,2,6-7,10-11H2,1H3,(H,19,20,21)
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354n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A3 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50369685
PNG
(CHEMBL4164048)
Show SMILES CCCn1c(nc2c(NC3CCC3)ncnc12)-c1ccccc1
Show InChI InChI=1S/C18H21N5/c1-2-11-23-17(13-7-4-3-5-8-13)22-15-16(19-12-20-18(15)23)21-14-9-6-10-14/h3-5,7-8,12,14H,2,6,9-11H2,1H3,(H,19,20,21)
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365n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A2A receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation count...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50369697
PNG
(CHEMBL4171919)
Show SMILES CCn1c(nc2c(NC3CCC3)ncnc12)-c1ccccc1
Show InChI InChI=1S/C17H19N5/c1-2-22-16(12-7-4-3-5-8-12)21-14-15(18-11-19-17(14)22)20-13-9-6-10-13/h3-5,7-8,11,13H,2,6,9-10H2,1H3,(H,18,19,20)
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379n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A2A receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation count...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50228500
PNG
(CHEMBL424597)
Show SMILES Cn1c(nc2c(N)ncnc12)-c1ccccc1
Show InChI InChI=1S/C12H11N5/c1-17-11(8-5-3-2-4-6-8)16-9-10(13)14-7-15-12(9)17/h2-7H,1H3,(H2,13,14,15)
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381n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A2A receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation count...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50369699
PNG
(CHEMBL4170850)
Show SMILES Cc1cccc(c1)-c1nc2c(NC3CCCC3)ncnc2n1C
Show InChI InChI=1S/C18H21N5/c1-12-6-5-7-13(10-12)17-22-15-16(21-14-8-3-4-9-14)19-11-20-18(15)23(17)2/h5-7,10-11,14H,3-4,8-9H2,1-2H3,(H,19,20,21)
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450n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A2A receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation count...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50369690
PNG
(CHEMBL4170460)
Show SMILES Cc1ccc(cc1)-c1nc2c(NC3CCCC3)ncnc2n1C
Show InChI InChI=1S/C18H21N5/c1-12-7-9-13(10-8-12)17-22-15-16(21-14-5-3-4-6-14)19-11-20-18(15)23(17)2/h7-11,14H,3-6H2,1-2H3,(H,19,20,21)
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480n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A3 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50369702
PNG
(CHEMBL4175631)
Show SMILES CCCn1c(nc2c(N)ncnc12)-c1ccccc1
Show InChI InChI=1S/C14H15N5/c1-2-8-19-13(10-6-4-3-5-7-10)18-11-12(15)16-9-17-14(11)19/h3-7,9H,2,8H2,1H3,(H2,15,16,17)
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492n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A2A receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation count...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50369691
PNG
(CHEMBL4175366)
Show SMILES Cn1c(nc2c(NC3CCCC3)ncnc12)-c1ccccc1
Show InChI InChI=1S/C17H19N5/c1-22-16(12-7-3-2-4-8-12)21-14-15(18-11-19-17(14)22)20-13-9-5-6-10-13/h2-4,7-8,11,13H,5-6,9-10H2,1H3,(H,18,19,20)
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498n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A2A receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation count...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50369699
PNG
(CHEMBL4170850)
Show SMILES Cc1cccc(c1)-c1nc2c(NC3CCCC3)ncnc2n1C
Show InChI InChI=1S/C18H21N5/c1-12-6-5-7-13(10-12)17-22-15-16(21-14-8-3-4-9-14)19-11-20-18(15)23(17)2/h5-7,10-11,14H,3-4,8-9H2,1-2H3,(H,19,20,21)
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510n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A3 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50369698
PNG
(CHEMBL4170180)
Show SMILES Cn1c(nc2c(NC3CCCC3)ncnc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C17H18ClN5/c1-23-16(11-5-4-6-12(18)9-11)22-14-15(19-10-20-17(14)23)21-13-7-2-3-8-13/h4-6,9-10,13H,2-3,7-8H2,1H3,(H,19,20,21)
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514n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A3 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50369704
PNG
(CHEMBL4174108)
Show SMILES Cn1c(nc2c(NC3CCCC3)ncnc12)-c1ccc(O)cc1
Show InChI InChI=1S/C17H19N5O/c1-22-16(11-6-8-13(23)9-7-11)21-14-15(18-10-19-17(14)22)20-12-4-2-3-5-12/h6-10,12,23H,2-5H2,1H3,(H,18,19,20)
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521n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A3 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50369688
PNG
(CHEMBL4167077)
Show SMILES Cn1c(nc2c(NC3CCCCC3)ncnc12)-c1ccccc1
Show InChI InChI=1S/C18H21N5/c1-23-17(13-8-4-2-5-9-13)22-15-16(19-12-20-18(15)23)21-14-10-6-3-7-11-14/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3,(H,19,20,21)
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527n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A2A receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation count...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50369704
PNG
(CHEMBL4174108)
Show SMILES Cn1c(nc2c(NC3CCCC3)ncnc12)-c1ccc(O)cc1
Show InChI InChI=1S/C17H19N5O/c1-22-16(11-6-8-13(23)9-7-11)21-14-15(18-10-19-17(14)22)20-12-4-2-3-5-12/h6-10,12,23H,2-5H2,1H3,(H,18,19,20)
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532n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A2A receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation count...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50369703
PNG
(CHEMBL4160264)
Show SMILES CCCn1c(nc2c(NC3CCCC3)ncnc12)-c1ccccc1
Show InChI InChI=1S/C19H23N5/c1-2-12-24-18(14-8-4-3-5-9-14)23-16-17(20-13-21-19(16)24)22-15-10-6-7-11-15/h3-5,8-9,13,15H,2,6-7,10-12H2,1H3,(H,20,21,22)
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634n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A2A receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation count...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50369684
PNG
(CHEMBL4159165)
Show SMILES CCn1c(nc2c(NC3CCCCC3)ncnc12)-c1ccccc1
Show InChI InChI=1S/C19H23N5/c1-2-24-18(14-9-5-3-6-10-14)23-16-17(20-13-21-19(16)24)22-15-11-7-4-8-12-15/h3,5-6,9-10,13,15H,2,4,7-8,11-12H2,1H3,(H,20,21,22)
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707n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A3 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50369694
PNG
(CHEMBL4161796)
Show SMILES Cn1c(nc2c(NC3CCCC3)ncnc12)-c1ccccc1Cl
Show InChI InChI=1S/C17H18ClN5/c1-23-16(12-8-4-5-9-13(12)18)22-14-15(19-10-20-17(14)23)21-11-6-2-3-7-11/h4-5,8-11H,2-3,6-7H2,1H3,(H,19,20,21)
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720n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A3 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50369703
PNG
(CHEMBL4160264)
Show SMILES CCCn1c(nc2c(NC3CCCC3)ncnc12)-c1ccccc1
Show InChI InChI=1S/C19H23N5/c1-2-12-24-18(14-8-4-3-5-9-14)23-16-17(20-13-21-19(16)24)22-15-10-6-7-11-15/h3-5,8-9,13,15H,2,6-7,10-12H2,1H3,(H,20,21,22)
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749n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A3 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50369685
PNG
(CHEMBL4164048)
Show SMILES CCCn1c(nc2c(NC3CCC3)ncnc12)-c1ccccc1
Show InChI InChI=1S/C18H21N5/c1-2-11-23-17(13-7-4-3-5-8-13)22-15-16(19-12-20-18(15)23)21-14-9-6-10-14/h3-5,7-8,12,14H,2,6,9-11H2,1H3,(H,19,20,21)
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PubMed
774n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced adenylyl cyclase activi...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50369691
PNG
(CHEMBL4175366)
Show SMILES Cn1c(nc2c(NC3CCCC3)ncnc12)-c1ccccc1
Show InChI InChI=1S/C17H19N5/c1-22-16(12-7-3-2-4-8-12)21-14-15(18-11-19-17(14)22)20-13-9-5-6-10-13/h2-4,7-8,11,13H,5-6,9-10H2,1H3,(H,18,19,20)
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846n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A3 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50369682
PNG
(CHEMBL4163630)
Show SMILES CCn1c(nc2c(NC3CCOC3)ncnc12)-c1ccccc1
Show InChI InChI=1S/C17H19N5O/c1-2-22-16(12-6-4-3-5-7-12)21-14-15(18-11-19-17(14)22)20-13-8-9-23-10-13/h3-7,11,13H,2,8-10H2,1H3,(H,18,19,20)
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PubMed
1.02E+3n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A2A receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation count...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50369702
PNG
(CHEMBL4175631)
Show SMILES CCCn1c(nc2c(N)ncnc12)-c1ccccc1
Show InChI InChI=1S/C14H15N5/c1-2-8-19-13(10-6-4-3-5-7-10)18-11-12(15)16-9-17-14(11)19/h3-7,9H,2,8H2,1H3,(H2,15,16,17)
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PubMed
1.04E+3n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced adenylyl cyclase activi...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50369707
PNG
(CHEMBL4163601)
Show SMILES CCCn1c(nc2c(NC3CCCCC3)ncnc12)-c1ccccc1
Show InChI InChI=1S/C20H25N5/c1-2-13-25-19(15-9-5-3-6-10-15)24-17-18(21-14-22-20(17)25)23-16-11-7-4-8-12-16/h3,5-6,9-10,14,16H,2,4,7-8,11-13H2,1H3,(H,21,22,23)
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PubMed
1.06E+3n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A2A receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation count...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50369701
PNG
(CHEMBL4177249)
Show SMILES Cn1c(nc2c(NC3CCCC3)ncnc12)-c1ccc(F)cc1
Show InChI InChI=1S/C17H18FN5/c1-23-16(11-6-8-12(18)9-7-11)22-14-15(19-10-20-17(14)23)21-13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,19,20,21)
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1.14E+3n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A3 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50369686
PNG
(CHEMBL4159137)
Show SMILES Cn1c(nc2c(NC3CCCC3)ncnc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H18ClN5/c1-23-16(11-6-8-12(18)9-7-11)22-14-15(19-10-20-17(14)23)21-13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,19,20,21)
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PubMed
1.21E+3n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A3 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50369697
PNG
(CHEMBL4171919)
Show SMILES CCn1c(nc2c(NC3CCC3)ncnc12)-c1ccccc1
Show InChI InChI=1S/C17H19N5/c1-2-22-16(12-7-4-3-5-8-12)21-14-15(18-11-19-17(14)22)20-13-9-6-10-13/h3-5,7-8,11,13H,2,6,9-10H2,1H3,(H,18,19,20)
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1.44E+3n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced adenylyl cyclase activi...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50369682
PNG
(CHEMBL4163630)
Show SMILES CCn1c(nc2c(NC3CCOC3)ncnc12)-c1ccccc1
Show InChI InChI=1S/C17H19N5O/c1-2-22-16(12-6-4-3-5-7-12)21-14-15(18-11-19-17(14)22)20-13-8-9-23-10-13/h3-7,11,13H,2,8-10H2,1H3,(H,18,19,20)
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1.66E+3n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A3 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50369700
PNG
(CHEMBL4174308)
Show SMILES CCCn1c(nc2c(NC3CCOC3)ncnc12)-c1ccccc1
Show InChI InChI=1S/C18H21N5O/c1-2-9-23-17(13-6-4-3-5-7-13)22-15-16(19-12-20-18(15)23)21-14-8-10-24-11-14/h3-7,12,14H,2,8-11H2,1H3,(H,19,20,21)
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1.70E+3n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A2A receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation count...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50369683
PNG
(CHEMBL4169401)
Show SMILES COc1ccc(cc1)-c1nc2c(NC3CCCC3)ncnc2n1C
Show InChI InChI=1S/C18H21N5O/c1-23-17(12-7-9-14(24-2)10-8-12)22-15-16(19-11-20-18(15)23)21-13-5-3-4-6-13/h7-11,13H,3-6H2,1-2H3,(H,19,20,21)
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1.79E+3n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A2A receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation count...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50369690
PNG
(CHEMBL4170460)
Show SMILES Cc1ccc(cc1)-c1nc2c(NC3CCCC3)ncnc2n1C
Show InChI InChI=1S/C18H21N5/c1-12-7-9-13(10-8-12)17-22-15-16(21-14-5-3-4-6-14)19-11-20-18(15)23(17)2/h7-11,14H,3-6H2,1-2H3,(H,19,20,21)
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PubMed
1.80E+3n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A2A receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation count...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50369686
PNG
(CHEMBL4159137)
Show SMILES Cn1c(nc2c(NC3CCCC3)ncnc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H18ClN5/c1-23-16(11-6-8-12(18)9-7-11)22-14-15(19-10-20-17(14)23)21-13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,19,20,21)
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PubMed
1.82E+3n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A2A receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation count...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50369696
PNG
(CHEMBL4170873)
Show SMILES Cn1c(nc2c(NC3CCOC3)ncnc12)-c1ccccc1
Show InChI InChI=1S/C16H17N5O/c1-21-15(11-5-3-2-4-6-11)20-13-14(17-10-18-16(13)21)19-12-7-8-22-9-12/h2-6,10,12H,7-9H2,1H3,(H,17,18,19)
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1.83E+3n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A2A receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation count...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50369683
PNG
(CHEMBL4169401)
Show SMILES COc1ccc(cc1)-c1nc2c(NC3CCCC3)ncnc2n1C
Show InChI InChI=1S/C18H21N5O/c1-23-17(12-7-9-14(24-2)10-8-12)22-15-16(19-11-20-18(15)23)21-13-5-3-4-6-13/h7-11,13H,3-6H2,1-2H3,(H,19,20,21)
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1.85E+3n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A3 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50369707
PNG
(CHEMBL4163601)
Show SMILES CCCn1c(nc2c(NC3CCCCC3)ncnc12)-c1ccccc1
Show InChI InChI=1S/C20H25N5/c1-2-13-25-19(15-9-5-3-6-10-15)24-17-18(21-14-22-20(17)25)23-16-11-7-4-8-12-16/h3,5-6,9-10,14,16H,2,4,7-8,11-13H2,1H3,(H,21,22,23)
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2.36E+3n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A3 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50369688
PNG
(CHEMBL4167077)
Show SMILES Cn1c(nc2c(NC3CCCCC3)ncnc12)-c1ccccc1
Show InChI InChI=1S/C18H21N5/c1-23-17(13-8-4-2-5-9-13)22-15-16(19-12-20-18(15)23)21-14-10-6-3-7-11-14/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3,(H,19,20,21)
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2.37E+3n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A3 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50369701
PNG
(CHEMBL4177249)
Show SMILES Cn1c(nc2c(NC3CCCC3)ncnc12)-c1ccc(F)cc1
Show InChI InChI=1S/C17H18FN5/c1-23-16(11-6-8-12(18)9-7-11)22-14-15(19-10-20-17(14)23)21-13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,19,20,21)
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PubMed
2.40E+3n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A2A receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation count...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50369698
PNG
(CHEMBL4170180)
Show SMILES Cn1c(nc2c(NC3CCCC3)ncnc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C17H18ClN5/c1-23-16(11-5-4-6-12(18)9-11)22-14-15(19-10-20-17(14)23)21-13-7-2-3-8-13/h4-6,9-10,13H,2-3,7-8H2,1H3,(H,19,20,21)
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2.53E+3n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced adenylyl cyclase activi...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50369700
PNG
(CHEMBL4174308)
Show SMILES CCCn1c(nc2c(NC3CCOC3)ncnc12)-c1ccccc1
Show InChI InChI=1S/C18H21N5O/c1-2-9-23-17(13-6-4-3-5-7-13)22-15-16(19-12-20-18(15)23)21-14-8-10-24-11-14/h3-7,12,14H,2,8-11H2,1H3,(H,19,20,21)
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2.81E+3n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A3 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50369692
PNG
(CHEMBL4160242)
Show SMILES Cc1ccccc1-c1nc2c(NC3CCCC3)ncnc2n1C
Show InChI InChI=1S/C18H21N5/c1-12-7-3-6-10-14(12)17-22-15-16(21-13-8-4-5-9-13)19-11-20-18(15)23(17)2/h3,6-7,10-11,13H,4-5,8-9H2,1-2H3,(H,19,20,21)
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PubMed
3.00E+3n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A3 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50369689
PNG
(CHEMBL4173347)
Show SMILES CCn1c(nc2c(N)ncnc12)-c1ccccc1
Show InChI InChI=1S/C13H13N5/c1-2-18-12(9-6-4-3-5-7-9)17-10-11(14)15-8-16-13(10)18/h3-8H,2H2,1H3,(H2,14,15,16)
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PubMed
3.02E+3n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced adenylyl cyclase activi...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50369694
PNG
(CHEMBL4161796)
Show SMILES Cn1c(nc2c(NC3CCCC3)ncnc12)-c1ccccc1Cl
Show InChI InChI=1S/C17H18ClN5/c1-23-16(12-8-4-5-9-13(12)18)22-14-15(19-10-20-17(14)23)21-11-6-2-3-7-11/h4-5,8-11H,2-3,6-7H2,1H3,(H,19,20,21)
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3.08E+3n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A2A receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation count...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50369703
PNG
(CHEMBL4160264)
Show SMILES CCCn1c(nc2c(NC3CCCC3)ncnc12)-c1ccccc1
Show InChI InChI=1S/C19H23N5/c1-2-12-24-18(14-8-4-3-5-9-14)23-16-17(20-13-21-19(16)24)22-15-10-6-7-11-15/h3-5,8-9,13,15H,2,6-7,10-12H2,1H3,(H,20,21,22)
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PubMed
3.43E+3n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced adenylyl cyclase activi...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50369706
PNG
(CHEMBL4165013)
Show SMILES Cn1c(nc2c(NC3CCC3)ncnc12)-c1ccccc1
Show InChI InChI=1S/C16H17N5/c1-21-15(11-6-3-2-4-7-11)20-13-14(17-10-18-16(13)21)19-12-8-5-9-12/h2-4,6-7,10,12H,5,8-9H2,1H3,(H,17,18,19)
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PubMed
3.73E+3n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced adenylyl cyclase activi...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50369707
PNG
(CHEMBL4163601)
Show SMILES CCCn1c(nc2c(NC3CCCCC3)ncnc12)-c1ccccc1
Show InChI InChI=1S/C20H25N5/c1-2-13-25-19(15-9-5-3-6-10-15)24-17-18(21-14-22-20(17)25)23-16-11-7-4-8-12-16/h3,5-6,9-10,14,16H,2,4,7-8,11-13H2,1H3,(H,21,22,23)
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PubMed
5.31E+3n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced adenylyl cyclase activi...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50369689
PNG
(CHEMBL4173347)
Show SMILES CCn1c(nc2c(N)ncnc12)-c1ccccc1
Show InChI InChI=1S/C13H13N5/c1-2-18-12(9-6-4-3-5-7-9)17-10-11(14)15-8-16-13(10)18/h3-8H,2H2,1H3,(H2,14,15,16)
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5.78E+3n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A3 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50369705
PNG
(CHEMBL4167491)
Show SMILES CCn1c(nc2c(NC3CCCC3)ncnc12)-c1ccccc1
Show InChI InChI=1S/C18H21N5/c1-2-23-17(13-8-4-3-5-9-13)22-15-16(19-12-20-18(15)23)21-14-10-6-7-11-14/h3-5,8-9,12,14H,2,6-7,10-11H2,1H3,(H,19,20,21)
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5.79E+3n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced adenylyl cyclase activi...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50369699
PNG
(CHEMBL4170850)
Show SMILES Cc1cccc(c1)-c1nc2c(NC3CCCC3)ncnc2n1C
Show InChI InChI=1S/C18H21N5/c1-12-6-5-7-13(10-12)17-22-15-16(21-14-8-3-4-9-14)19-11-20-18(15)23(17)2/h5-7,10-11,14H,3-4,8-9H2,1-2H3,(H,19,20,21)
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PubMed
6.03E+3n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced adenylyl cyclase activi...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50369696
PNG
(CHEMBL4170873)
Show SMILES Cn1c(nc2c(NC3CCOC3)ncnc12)-c1ccccc1
Show InChI InChI=1S/C16H17N5O/c1-21-15(11-5-3-2-4-6-11)20-13-14(17-10-18-16(13)21)19-12-7-8-22-9-12/h2-6,10,12H,7-9H2,1H3,(H,17,18,19)
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PubMed
6.26E+3n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A3 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50369695
PNG
(CHEMBL4176479)
Show SMILES Cn1c(nc2c(NC3CCCC3)ncnc12)-c1cccnc1
Show InChI InChI=1S/C16H18N6/c1-22-15(11-5-4-8-17-9-11)21-13-14(18-10-19-16(13)22)20-12-6-2-3-7-12/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,18,19,20)
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PubMed
6.33E+3n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A2A receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation count...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50369692
PNG
(CHEMBL4160242)
Show SMILES Cc1ccccc1-c1nc2c(NC3CCCC3)ncnc2n1C
Show InChI InChI=1S/C18H21N5/c1-12-7-3-6-10-14(12)17-22-15-16(21-13-8-4-5-9-13)19-11-20-18(15)23(17)2/h3,6-7,10-11,13H,4-5,8-9H2,1-2H3,(H,19,20,21)
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PubMed
6.98E+3n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A2A receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation count...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50228500
PNG
(CHEMBL424597)
Show SMILES Cn1c(nc2c(N)ncnc12)-c1ccccc1
Show InChI InChI=1S/C12H11N5/c1-17-11(8-5-3-2-4-6-8)16-9-10(13)14-7-15-12(9)17/h2-7H,1H3,(H2,13,14,15)
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7.79E+3n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced adenylyl cyclase activi...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50369691
PNG
(CHEMBL4175366)
Show SMILES Cn1c(nc2c(NC3CCCC3)ncnc12)-c1ccccc1
Show InChI InChI=1S/C17H19N5/c1-22-16(12-7-3-2-4-8-12)21-14-15(18-11-19-17(14)22)20-13-9-5-6-10-13/h2-4,7-8,11,13H,5-6,9-10H2,1H3,(H,18,19,20)
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8.51E+3n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced adenylyl cyclase activi...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50369684
PNG
(CHEMBL4159165)
Show SMILES CCn1c(nc2c(NC3CCCCC3)ncnc12)-c1ccccc1
Show InChI InChI=1S/C19H23N5/c1-2-24-18(14-9-5-3-6-10-14)23-16-17(20-13-21-19(16)24)22-15-11-7-4-8-12-15/h3,5-6,9-10,13,15H,2,4,7-8,11-12H2,1H3,(H,20,21,22)
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9.02E+3n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced adenylyl cyclase activi...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50369700
PNG
(CHEMBL4174308)
Show SMILES CCCn1c(nc2c(NC3CCOC3)ncnc12)-c1ccccc1
Show InChI InChI=1S/C18H21N5O/c1-2-9-23-17(13-6-4-3-5-7-13)22-15-16(19-12-20-18(15)23)21-14-8-10-24-11-14/h3-7,12,14H,2,8-11H2,1H3,(H,19,20,21)
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PubMed
9.08E+3n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced adenylyl cyclase activi...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50369702
PNG
(CHEMBL4175631)
Show SMILES CCCn1c(nc2c(N)ncnc12)-c1ccccc1
Show InChI InChI=1S/C14H15N5/c1-2-8-19-13(10-6-4-3-5-7-10)18-11-12(15)16-9-17-14(11)19/h3-7,9H,2,8H2,1H3,(H2,15,16,17)
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9.28E+3n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A3 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50369695
PNG
(CHEMBL4176479)
Show SMILES Cn1c(nc2c(NC3CCCC3)ncnc12)-c1cccnc1
Show InChI InChI=1S/C16H18N6/c1-22-15(11-5-4-8-17-9-11)21-13-14(18-10-19-16(13)22)20-12-6-2-3-7-12/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,18,19,20)
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1.10E+4n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A3 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50369682
PNG
(CHEMBL4163630)
Show SMILES CCn1c(nc2c(NC3CCOC3)ncnc12)-c1ccccc1
Show InChI InChI=1S/C17H19N5O/c1-2-22-16(12-6-4-3-5-7-12)21-14-15(18-11-19-17(14)22)20-13-8-9-23-10-13/h3-7,11,13H,2,8-10H2,1H3,(H,18,19,20)
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PubMed
1.15E+4n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced adenylyl cyclase activi...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50369696
PNG
(CHEMBL4170873)
Show SMILES Cn1c(nc2c(NC3CCOC3)ncnc12)-c1ccccc1
Show InChI InChI=1S/C16H17N5O/c1-21-15(11-5-3-2-4-6-11)20-13-14(17-10-18-16(13)21)19-12-7-8-22-9-12/h2-6,10,12H,7-9H2,1H3,(H,17,18,19)
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PubMed
1.33E+4n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced adenylyl cyclase activi...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50228500
PNG
(CHEMBL424597)
Show SMILES Cn1c(nc2c(N)ncnc12)-c1ccccc1
Show InChI InChI=1S/C12H11N5/c1-17-11(8-5-3-2-4-6-8)16-9-10(13)14-7-15-12(9)17/h2-7H,1H3,(H2,13,14,15)
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PubMed
1.40E+4n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A3 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50369704
PNG
(CHEMBL4174108)
Show SMILES Cn1c(nc2c(NC3CCCC3)ncnc12)-c1ccc(O)cc1
Show InChI InChI=1S/C17H19N5O/c1-22-16(11-6-8-13(23)9-7-11)21-14-15(18-10-19-17(14)22)20-12-4-2-3-5-12/h6-10,12,23H,2-5H2,1H3,(H,18,19,20)
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PubMed
1.78E+4n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced adenylyl cyclase activi...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50369693
PNG
(CHEMBL4167197)
Show SMILES Cn1c(nc2c(NC3CCCC3)ncnc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C18H19N5O2/c1-23-16(11-6-8-12(9-7-11)18(24)25)22-14-15(19-10-20-17(14)23)21-13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,24,25)(H,19,20,21)
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PubMed
2.57E+4n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A3 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50369683
PNG
(CHEMBL4169401)
Show SMILES COc1ccc(cc1)-c1nc2c(NC3CCCC3)ncnc2n1C
Show InChI InChI=1S/C18H21N5O/c1-23-17(12-7-9-14(24-2)10-8-12)22-15-16(19-11-20-18(15)23)21-13-5-3-4-6-13/h7-11,13H,3-6H2,1-2H3,(H,19,20,21)
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>3.00E+4n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced adenylyl cyclase activi...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50369701
PNG
(CHEMBL4177249)
Show SMILES Cn1c(nc2c(NC3CCCC3)ncnc12)-c1ccc(F)cc1
Show InChI InChI=1S/C17H18FN5/c1-23-16(11-6-8-12(18)9-7-11)22-14-15(19-10-20-17(14)23)21-13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,19,20,21)
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>3.00E+4n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced adenylyl cyclase activi...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50369695
PNG
(CHEMBL4176479)
Show SMILES Cn1c(nc2c(NC3CCCC3)ncnc12)-c1cccnc1
Show InChI InChI=1S/C16H18N6/c1-22-15(11-5-4-8-17-9-11)21-13-14(18-10-19-16(13)22)20-12-6-2-3-7-12/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,18,19,20)
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>3.00E+4n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced adenylyl cyclase activi...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50369686
PNG
(CHEMBL4159137)
Show SMILES Cn1c(nc2c(NC3CCCC3)ncnc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H18ClN5/c1-23-16(11-6-8-12(18)9-7-11)22-14-15(19-10-20-17(14)23)21-13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,19,20,21)
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>3.00E+4n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced adenylyl cyclase activi...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50369694
PNG
(CHEMBL4161796)
Show SMILES Cn1c(nc2c(NC3CCCC3)ncnc12)-c1ccccc1Cl
Show InChI InChI=1S/C17H18ClN5/c1-23-16(12-8-4-5-9-13(12)18)22-14-15(19-10-20-17(14)23)21-11-6-2-3-7-11/h4-5,8-11H,2-3,6-7H2,1H3,(H,19,20,21)
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>3.00E+4n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced adenylyl cyclase activi...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50369693
PNG
(CHEMBL4167197)
Show SMILES Cn1c(nc2c(NC3CCCC3)ncnc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C18H19N5O2/c1-23-16(11-6-8-12(9-7-11)18(24)25)22-14-15(19-10-20-17(14)23)21-13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,24,25)(H,19,20,21)
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>3.00E+4n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced adenylyl cyclase activi...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50369692
PNG
(CHEMBL4160242)
Show SMILES Cc1ccccc1-c1nc2c(NC3CCCC3)ncnc2n1C
Show InChI InChI=1S/C18H21N5/c1-12-7-3-6-10-14(12)17-22-15-16(21-13-8-4-5-9-13)19-11-20-18(15)23(17)2/h3,6-7,10-11,13H,4-5,8-9H2,1-2H3,(H,19,20,21)
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>3.00E+4n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced adenylyl cyclase activi...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50369690
PNG
(CHEMBL4170460)
Show SMILES Cc1ccc(cc1)-c1nc2c(NC3CCCC3)ncnc2n1C
Show InChI InChI=1S/C18H21N5/c1-12-7-9-13(10-8-12)17-22-15-16(21-14-5-3-4-6-14)19-11-20-18(15)23(17)2/h7-11,14H,3-6H2,1-2H3,(H,19,20,21)
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>3.00E+4n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced adenylyl cyclase activi...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50369688
PNG
(CHEMBL4167077)
Show SMILES Cn1c(nc2c(NC3CCCCC3)ncnc12)-c1ccccc1
Show InChI InChI=1S/C18H21N5/c1-23-17(13-8-4-2-5-9-13)22-15-16(19-12-20-18(15)23)21-14-10-6-3-7-11-14/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3,(H,19,20,21)
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>3.00E+4n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced adenylyl cyclase activi...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50369693
PNG
(CHEMBL4167197)
Show SMILES Cn1c(nc2c(NC3CCCC3)ncnc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C18H19N5O2/c1-23-16(11-6-8-12(9-7-11)18(24)25)22-14-15(19-10-20-17(14)23)21-13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,24,25)(H,19,20,21)
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5.40E+4n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from recombinant human adenosine A1 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counti...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50369693
PNG
(CHEMBL4167197)
Show SMILES Cn1c(nc2c(NC3CCCC3)ncnc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C18H19N5O2/c1-23-16(11-6-8-12(9-7-11)18(24)25)22-14-15(19-10-20-17(14)23)21-13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,24,25)(H,19,20,21)
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from recombinant human adenosine A2A receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation count...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50369687
PNG
(CHEMBL4177295)
Show SMILES CCCC1CCC(CCC)(C1)n1c(=O)[nH]c2nc[nH]c2c1=O
Show InChI InChI=1S/C16H24N4O2/c1-3-5-11-6-8-16(9-11,7-4-2)20-14(21)12-13(18-10-17-12)19-15(20)22/h10-11H,3-9H2,1-2H3,(H,17,18)(H,19,22)
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n/an/a 2.90n/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human adenosine A1 receptor transfected in CHO cells assessed as inhibition of CCPA-induced cAMP accumulation prei...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50369691
PNG
(CHEMBL4175366)
Show SMILES Cn1c(nc2c(NC3CCCC3)ncnc12)-c1ccccc1
Show InChI InChI=1S/C17H19N5/c1-22-16(12-7-3-2-4-8-12)21-14-15(18-11-19-17(14)22)20-13-9-5-6-10-13/h2-4,7-8,11,13H,5-6,9-10H2,1H3,(H,18,19,20)
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n/an/a 14n/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human adenosine A1 receptor transfected in CHO cells assessed as inhibition of CCPA-induced cAMP accumulation prei...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50369701
PNG
(CHEMBL4177249)
Show SMILES Cn1c(nc2c(NC3CCCC3)ncnc12)-c1ccc(F)cc1
Show InChI InChI=1S/C17H18FN5/c1-23-16(11-6-8-12(18)9-7-11)22-14-15(19-10-20-17(14)23)21-13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,19,20,21)
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n/an/a 32n/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human adenosine A1 receptor transfected in CHO cells assessed as inhibition of CCPA-induced cAMP accumulation prei...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50369699
PNG
(CHEMBL4170850)
Show SMILES Cc1cccc(c1)-c1nc2c(NC3CCCC3)ncnc2n1C
Show InChI InChI=1S/C18H21N5/c1-12-6-5-7-13(10-12)17-22-15-16(21-14-8-3-4-9-14)19-11-20-18(15)23(17)2/h5-7,10-11,14H,3-4,8-9H2,1-2H3,(H,19,20,21)
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n/an/a 43n/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human adenosine A1 receptor transfected in CHO cells assessed as inhibition of CCPA-induced cAMP accumulation prei...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50369704
PNG
(CHEMBL4174108)
Show SMILES Cn1c(nc2c(NC3CCCC3)ncnc12)-c1ccc(O)cc1
Show InChI InChI=1S/C17H19N5O/c1-22-16(11-6-8-13(23)9-7-11)21-14-15(18-10-19-17(14)22)20-12-4-2-3-5-12/h6-10,12,23H,2-5H2,1H3,(H,18,19,20)
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n/an/a 52n/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human adenosine A1 receptor transfected in CHO cells assessed as inhibition of CCPA-induced cAMP accumulation prei...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50369690
PNG
(CHEMBL4170460)
Show SMILES Cc1ccc(cc1)-c1nc2c(NC3CCCC3)ncnc2n1C
Show InChI InChI=1S/C18H21N5/c1-12-7-9-13(10-8-12)17-22-15-16(21-14-5-3-4-6-14)19-11-20-18(15)23(17)2/h7-11,14H,3-6H2,1-2H3,(H,19,20,21)
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n/an/a 61n/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human adenosine A1 receptor transfected in CHO cells assessed as inhibition of CCPA-induced cAMP accumulation prei...


Eur J Med Chem 151: 199-213 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.067
BindingDB Entry DOI: 10.7270/Q2Z03BQ0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%