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Compile Data Set for Download or QSAR

Found 45 hits from Almirall   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50211682
PNG
(5-{[4'-(2-furyl)-4,5'-bipyrimidin-2'-yl]amino}pyri...)
Show SMILES O=c1ccc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)c[nH]1
Show InChI InChI=1S/C17H12N6O2/c24-15-4-3-11(8-19-15)22-17-20-9-12(13-5-6-18-10-21-13)16(23-17)14-2-1-7-25-14/h1-10H,(H,19,24)(H,20,22,23)
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16n/an/an/an/an/an/an/an/a



Almirall

Curated by ChEMBL


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


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50211685
PNG
(4'-(2-furyl)-N-pyridin-3-yl-4,5'-bipyrimidin-2'-am...)
Show SMILES N(c1cccnc1)c1ncc(-c2ccncn2)c(n1)-c1ccco1
Show InChI InChI=1S/C17H12N6O/c1-3-12(9-18-6-1)22-17-20-10-13(14-5-7-19-11-21-14)16(23-17)15-4-2-8-24-15/h1-11H,(H,20,22,23)
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17n/an/an/an/an/an/an/an/a



Almirall

Curated by ChEMBL


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


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50211680
PNG
(4'-(2-furyl)-N-pyrimidin-5-yl-4,5'-bipyrimidin-2'-...)
Show SMILES N(c1cncnc1)c1ncc(-c2ccncn2)c(n1)-c1ccco1
Show InChI InChI=1S/C16H11N7O/c1-2-14(24-5-1)15-12(13-3-4-17-10-21-13)8-20-16(23-15)22-11-6-18-9-19-7-11/h1-10H,(H,20,22,23)
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24n/an/an/an/an/an/an/an/a



Almirall

Curated by ChEMBL


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


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50211688
PNG
(5-{[4'-(2-furyl)-4,5'-bipyrimidin-2'-yl]amino}-1-m...)
Show SMILES Cn1cc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)ccc1=O
Show InChI InChI=1S/C18H14N6O2/c1-24-10-12(4-5-16(24)25)22-18-20-9-13(14-6-7-19-11-21-14)17(23-18)15-3-2-8-26-15/h2-11H,1H3,(H,20,22,23)
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28n/an/an/an/an/an/an/an/a



Almirall

Curated by ChEMBL


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


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50211679
PNG
(4'-(2-furyl)-N-(1-oxidopyridin-3-yl)-4,5'-bipyrimi...)
Show SMILES [O-][n+]1cccc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)c1
Show InChI InChI=1S/C17H12N6O2/c24-23-7-1-3-12(10-23)21-17-19-9-13(14-5-6-18-11-20-14)16(22-17)15-4-2-8-25-15/h1-11H,(H,19,21,22)
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34n/an/an/an/an/an/an/an/a



Almirall

Curated by ChEMBL


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


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50211684
PNG
(4'-(2-furyl)-N-(2-methoxypyrimidin-5-yl)-4,5'-bipy...)
Show SMILES COc1ncc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)cn1
Show InChI InChI=1S/C17H13N7O2/c1-25-17-20-7-11(8-21-17)23-16-19-9-12(13-4-5-18-10-22-13)15(24-16)14-3-2-6-26-14/h2-10H,1H3,(H,19,23,24)
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39n/an/an/an/an/an/an/an/a



Almirall

Curated by ChEMBL


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


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50211687
PNG
(5-{[4'-(2-furyl)-4,5'-bipyrimidin-2'-yl]amino}nico...)
Show SMILES N#Cc1cncc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)c1
Show InChI InChI=1S/C18H11N7O/c19-7-12-6-13(9-21-8-12)24-18-22-10-14(15-3-4-20-11-23-15)17(25-18)16-2-1-5-26-16/h1-6,8-11H,(H,22,24,25)
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69n/an/an/an/an/an/an/an/a



Almirall

Curated by ChEMBL


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


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50211681
PNG
(4'-(2-furyl)-N-(6-methoxypyridin-3-yl)-4,5'-bipyri...)
Show SMILES COc1ccc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)cn1
Show InChI InChI=1S/C18H14N6O2/c1-25-16-5-4-12(9-20-16)23-18-21-10-13(14-6-7-19-11-22-14)17(24-18)15-3-2-8-26-15/h2-11H,1H3,(H,21,23,24)
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115n/an/an/an/an/an/an/an/a



Almirall

Curated by ChEMBL


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


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50211686
PNG
(4'-(2-furyl)-N-pyrazin-2-yl-4,5'-bipyrimidin-2'-am...)
Show SMILES N(c1cnccn1)c1ncc(-c2ccncn2)c(n1)-c1ccco1
Show InChI InChI=1S/C16H11N7O/c1-2-13(24-7-1)15-11(12-3-4-18-10-21-12)8-20-16(23-15)22-14-9-17-5-6-19-14/h1-10H,(H,19,20,22,23)
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116n/an/an/an/an/an/an/an/a



Almirall

Curated by ChEMBL


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


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50211683
PNG
(1-(cyclopropylmethyl)-5-{[4'-(2-furyl)-4,5'-bipyri...)
Show SMILES O=c1ccc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)cn1CC1CC1
Show InChI InChI=1S/C21H18N6O2/c28-19-6-5-15(12-27(19)11-14-3-4-14)25-21-23-10-16(17-7-8-22-13-24-17)20(26-21)18-2-1-9-29-18/h1-2,5-10,12-14H,3-4,11H2,(H,23,25,26)
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119n/an/an/an/an/an/an/an/a



Almirall

Curated by ChEMBL


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


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50211680
PNG
(4'-(2-furyl)-N-pyrimidin-5-yl-4,5'-bipyrimidin-2'-...)
Show SMILES N(c1cncnc1)c1ncc(-c2ccncn2)c(n1)-c1ccco1
Show InChI InChI=1S/C16H11N7O/c1-2-14(24-5-1)15-12(13-3-4-17-10-21-13)8-20-16(23-15)22-11-6-18-9-19-7-11/h1-10H,(H,20,22,23)
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>1.00E+3n/an/an/an/an/an/an/an/a



Almirall

Curated by ChEMBL


Assay Description
Displacement of [2H]NECA from human A3 receptor expressed in HeLa cells


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50211687
PNG
(5-{[4'-(2-furyl)-4,5'-bipyrimidin-2'-yl]amino}nico...)
Show SMILES N#Cc1cncc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)c1
Show InChI InChI=1S/C18H11N7O/c19-7-12-6-13(9-21-8-12)24-18-22-10-14(15-3-4-20-11-23-15)17(25-18)16-2-1-5-26-16/h1-6,8-11H,(H,22,24,25)
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>1.00E+3n/an/an/an/an/an/an/an/a



Almirall

Curated by ChEMBL


Assay Description
Displacement of [2H]NECA from human A3 receptor expressed in HeLa cells


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50211685
PNG
(4'-(2-furyl)-N-pyridin-3-yl-4,5'-bipyrimidin-2'-am...)
Show SMILES N(c1cccnc1)c1ncc(-c2ccncn2)c(n1)-c1ccco1
Show InChI InChI=1S/C17H12N6O/c1-3-12(9-18-6-1)22-17-20-10-13(14-5-7-19-11-21-14)16(23-17)15-4-2-8-24-15/h1-11H,(H,20,22,23)
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>1.00E+3n/an/an/an/an/an/an/an/a



Almirall

Curated by ChEMBL


Assay Description
Displacement of [2H]NECA from human A3 receptor expressed in HeLa cells


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50211682
PNG
(5-{[4'-(2-furyl)-4,5'-bipyrimidin-2'-yl]amino}pyri...)
Show SMILES O=c1ccc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)c[nH]1
Show InChI InChI=1S/C17H12N6O2/c24-15-4-3-11(8-19-15)22-17-20-9-12(13-5-6-18-10-21-13)16(23-17)14-2-1-7-25-14/h1-10H,(H,19,24)(H,20,22,23)
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>1.00E+3n/an/an/an/an/an/an/an/a



Almirall

Curated by ChEMBL


Assay Description
Displacement of [2H]NECA from human A3 receptor expressed in HeLa cells


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50211683
PNG
(1-(cyclopropylmethyl)-5-{[4'-(2-furyl)-4,5'-bipyri...)
Show SMILES O=c1ccc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)cn1CC1CC1
Show InChI InChI=1S/C21H18N6O2/c28-19-6-5-15(12-27(19)11-14-3-4-14)25-21-23-10-16(17-7-8-22-13-24-17)20(26-21)18-2-1-9-29-18/h1-2,5-10,12-14H,3-4,11H2,(H,23,25,26)
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>1.00E+3n/an/an/an/an/an/an/an/a



Almirall

Curated by ChEMBL


Assay Description
Displacement of [2H]NECA from human A3 receptor expressed in HeLa cells


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50211688
PNG
(5-{[4'-(2-furyl)-4,5'-bipyrimidin-2'-yl]amino}-1-m...)
Show SMILES Cn1cc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)ccc1=O
Show InChI InChI=1S/C18H14N6O2/c1-24-10-12(4-5-16(24)25)22-18-20-9-13(14-6-7-19-11-21-14)17(23-18)15-3-2-8-26-15/h2-11H,1H3,(H,20,22,23)
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>1.00E+3n/an/an/an/an/an/an/an/a



Almirall

Curated by ChEMBL


Assay Description
Displacement of [2H]NECA from human A3 receptor expressed in HeLa cells


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50211685
PNG
(4'-(2-furyl)-N-pyridin-3-yl-4,5'-bipyrimidin-2'-am...)
Show SMILES N(c1cccnc1)c1ncc(-c2ccncn2)c(n1)-c1ccco1
Show InChI InChI=1S/C17H12N6O/c1-3-12(9-18-6-1)22-17-20-10-13(14-5-7-19-11-21-14)16(23-17)15-4-2-8-24-15/h1-11H,(H,20,22,23)
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>1.00E+3n/an/an/an/an/an/an/an/a



Almirall

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A1 receptor expressed in CHO cells


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50211684
PNG
(4'-(2-furyl)-N-(2-methoxypyrimidin-5-yl)-4,5'-bipy...)
Show SMILES COc1ncc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)cn1
Show InChI InChI=1S/C17H13N7O2/c1-25-17-20-7-11(8-21-17)23-16-19-9-12(13-4-5-18-10-22-13)15(24-16)14-3-2-6-26-14/h2-10H,1H3,(H,19,23,24)
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>1.00E+3n/an/an/an/an/an/an/an/a



Almirall

Curated by ChEMBL


Assay Description
Displacement of [2H]NECA from human A3 receptor expressed in HeLa cells


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50211679
PNG
(4'-(2-furyl)-N-(1-oxidopyridin-3-yl)-4,5'-bipyrimi...)
Show SMILES [O-][n+]1cccc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)c1
Show InChI InChI=1S/C17H12N6O2/c24-23-7-1-3-12(10-23)21-17-19-9-13(14-5-6-18-11-20-14)16(22-17)15-4-2-8-25-15/h1-11H,(H,19,21,22)
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>1.00E+3n/an/an/an/an/an/an/an/a



Almirall

Curated by ChEMBL


Assay Description
Displacement of [2H]NECA from human A3 receptor expressed in HeLa cells


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50211681
PNG
(4'-(2-furyl)-N-(6-methoxypyridin-3-yl)-4,5'-bipyri...)
Show SMILES COc1ccc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)cn1
Show InChI InChI=1S/C18H14N6O2/c1-25-16-5-4-12(9-20-16)23-18-21-10-13(14-6-7-19-11-22-14)17(24-18)15-3-2-8-26-15/h2-11H,1H3,(H,21,23,24)
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>1.00E+3n/an/an/an/an/an/an/an/a



Almirall

Curated by ChEMBL


Assay Description
Displacement of [2H]NECA from human A3 receptor expressed in HeLa cells


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50211686
PNG
(4'-(2-furyl)-N-pyrazin-2-yl-4,5'-bipyrimidin-2'-am...)
Show SMILES N(c1cnccn1)c1ncc(-c2ccncn2)c(n1)-c1ccco1
Show InChI InChI=1S/C16H11N7O/c1-2-13(24-7-1)15-11(12-3-4-18-10-21-12)8-20-16(23-15)22-14-9-17-5-6-19-14/h1-10H,(H,19,20,22,23)
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>1.00E+3n/an/an/an/an/an/an/an/a



Almirall

Curated by ChEMBL


Assay Description
Displacement of [2H]NECA from human A3 receptor expressed in HeLa cells


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50211682
PNG
(5-{[4'-(2-furyl)-4,5'-bipyrimidin-2'-yl]amino}pyri...)
Show SMILES O=c1ccc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)c[nH]1
Show InChI InChI=1S/C17H12N6O2/c24-15-4-3-11(8-19-15)22-17-20-9-12(13-5-6-18-10-21-13)16(23-17)14-2-1-7-25-14/h1-10H,(H,19,24)(H,20,22,23)
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>2.50E+3n/an/an/an/an/an/an/an/a



Almirall

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human A2A receptor expressed in HeLa cells


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50211685
PNG
(4'-(2-furyl)-N-pyridin-3-yl-4,5'-bipyrimidin-2'-am...)
Show SMILES N(c1cccnc1)c1ncc(-c2ccncn2)c(n1)-c1ccco1
Show InChI InChI=1S/C17H12N6O/c1-3-12(9-18-6-1)22-17-20-10-13(14-5-7-19-11-21-14)16(23-17)15-4-2-8-24-15/h1-11H,(H,20,22,23)
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>2.50E+3n/an/an/an/an/an/an/an/a



Almirall

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human A2A receptor expressed in HeLa cells


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50211683
PNG
(1-(cyclopropylmethyl)-5-{[4'-(2-furyl)-4,5'-bipyri...)
Show SMILES O=c1ccc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)cn1CC1CC1
Show InChI InChI=1S/C21H18N6O2/c28-19-6-5-15(12-27(19)11-14-3-4-14)25-21-23-10-16(17-7-8-22-13-24-17)20(26-21)18-2-1-9-29-18/h1-2,5-10,12-14H,3-4,11H2,(H,23,25,26)
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>2.50E+3n/an/an/an/an/an/an/an/a



Almirall

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human A2A receptor expressed in HeLa cells


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50211681
PNG
(4'-(2-furyl)-N-(6-methoxypyridin-3-yl)-4,5'-bipyri...)
Show SMILES COc1ccc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)cn1
Show InChI InChI=1S/C18H14N6O2/c1-25-16-5-4-12(9-20-16)23-18-21-10-13(14-6-7-19-11-22-14)17(24-18)15-3-2-8-26-15/h2-11H,1H3,(H,21,23,24)
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>2.50E+3n/an/an/an/an/an/an/an/a



Almirall

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human A2A receptor expressed in HeLa cells


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50211684
PNG
(4'-(2-furyl)-N-(2-methoxypyrimidin-5-yl)-4,5'-bipy...)
Show SMILES COc1ncc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)cn1
Show InChI InChI=1S/C17H13N7O2/c1-25-17-20-7-11(8-21-17)23-16-19-9-12(13-4-5-18-10-22-13)15(24-16)14-3-2-6-26-14/h2-10H,1H3,(H,19,23,24)
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>2.50E+3n/an/an/an/an/an/an/an/a



Almirall

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human A2A receptor expressed in HeLa cells


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50211680
PNG
(4'-(2-furyl)-N-pyrimidin-5-yl-4,5'-bipyrimidin-2'-...)
Show SMILES N(c1cncnc1)c1ncc(-c2ccncn2)c(n1)-c1ccco1
Show InChI InChI=1S/C16H11N7O/c1-2-14(24-5-1)15-12(13-3-4-17-10-21-13)8-20-16(23-15)22-11-6-18-9-19-7-11/h1-10H,(H,20,22,23)
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>2.50E+3n/an/an/an/an/an/an/an/a



Almirall

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human A2A receptor expressed in HeLa cells


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50211687
PNG
(5-{[4'-(2-furyl)-4,5'-bipyrimidin-2'-yl]amino}nico...)
Show SMILES N#Cc1cncc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)c1
Show InChI InChI=1S/C18H11N7O/c19-7-12-6-13(9-21-8-12)24-18-22-10-14(15-3-4-20-11-23-15)17(25-18)16-2-1-5-26-16/h1-6,8-11H,(H,22,24,25)
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>2.50E+3n/an/an/an/an/an/an/an/a



Almirall

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human A2A receptor expressed in HeLa cells


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50211679
PNG
(4'-(2-furyl)-N-(1-oxidopyridin-3-yl)-4,5'-bipyrimi...)
Show SMILES [O-][n+]1cccc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)c1
Show InChI InChI=1S/C17H12N6O2/c24-23-7-1-3-12(10-23)21-17-19-9-13(14-5-6-18-11-20-14)16(22-17)15-4-2-8-25-15/h1-11H,(H,19,21,22)
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>2.50E+3n/an/an/an/an/an/an/an/a



Almirall

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human A2A receptor expressed in HeLa cells


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50211688
PNG
(5-{[4'-(2-furyl)-4,5'-bipyrimidin-2'-yl]amino}-1-m...)
Show SMILES Cn1cc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)ccc1=O
Show InChI InChI=1S/C18H14N6O2/c1-24-10-12(4-5-16(24)25)22-18-20-9-13(14-6-7-19-11-21-14)17(23-18)15-3-2-8-26-15/h2-11H,1H3,(H,20,22,23)
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>2.50E+3n/an/an/an/an/an/an/an/a



Almirall

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human A2A receptor expressed in HeLa cells


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50211686
PNG
(4'-(2-furyl)-N-pyrazin-2-yl-4,5'-bipyrimidin-2'-am...)
Show SMILES N(c1cnccn1)c1ncc(-c2ccncn2)c(n1)-c1ccco1
Show InChI InChI=1S/C16H11N7O/c1-2-13(24-7-1)15-11(12-3-4-18-10-21-12)8-20-16(23-15)22-14-9-17-5-6-19-14/h1-10H,(H,19,20,22,23)
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>2.50E+3n/an/an/an/an/an/an/an/a



Almirall

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human A2A receptor expressed in HeLa cells


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50211688
PNG
(5-{[4'-(2-furyl)-4,5'-bipyrimidin-2'-yl]amino}-1-m...)
Show SMILES Cn1cc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)ccc1=O
Show InChI InChI=1S/C18H14N6O2/c1-24-10-12(4-5-16(24)25)22-18-20-9-13(14-6-7-19-11-21-14)17(23-18)15-3-2-8-26-15/h2-11H,1H3,(H,20,22,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Almirall

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A1 receptor expressed in CHO cells


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50211686
PNG
(4'-(2-furyl)-N-pyrazin-2-yl-4,5'-bipyrimidin-2'-am...)
Show SMILES N(c1cnccn1)c1ncc(-c2ccncn2)c(n1)-c1ccco1
Show InChI InChI=1S/C16H11N7O/c1-2-13(24-7-1)15-11(12-3-4-18-10-21-12)8-20-16(23-15)22-14-9-17-5-6-19-14/h1-10H,(H,19,20,22,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Almirall

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A1 receptor expressed in CHO cells


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50211683
PNG
(1-(cyclopropylmethyl)-5-{[4'-(2-furyl)-4,5'-bipyri...)
Show SMILES O=c1ccc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)cn1CC1CC1
Show InChI InChI=1S/C21H18N6O2/c28-19-6-5-15(12-27(19)11-14-3-4-14)25-21-23-10-16(17-7-8-22-13-24-17)20(26-21)18-2-1-9-29-18/h1-2,5-10,12-14H,3-4,11H2,(H,23,25,26)
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>1.00E+4n/an/an/an/an/an/an/an/a



Almirall

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A1 receptor expressed in CHO cells


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50211682
PNG
(5-{[4'-(2-furyl)-4,5'-bipyrimidin-2'-yl]amino}pyri...)
Show SMILES O=c1ccc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)c[nH]1
Show InChI InChI=1S/C17H12N6O2/c24-15-4-3-11(8-19-15)22-17-20-9-12(13-5-6-18-10-21-13)16(23-17)14-2-1-7-25-14/h1-10H,(H,19,24)(H,20,22,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Almirall

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A1 receptor expressed in CHO cells


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50211681
PNG
(4'-(2-furyl)-N-(6-methoxypyridin-3-yl)-4,5'-bipyri...)
Show SMILES COc1ccc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)cn1
Show InChI InChI=1S/C18H14N6O2/c1-25-16-5-4-12(9-20-16)23-18-21-10-13(14-6-7-19-11-22-14)17(24-18)15-3-2-8-26-15/h2-11H,1H3,(H,21,23,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



Almirall

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A1 receptor expressed in CHO cells


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50211680
PNG
(4'-(2-furyl)-N-pyrimidin-5-yl-4,5'-bipyrimidin-2'-...)
Show SMILES N(c1cncnc1)c1ncc(-c2ccncn2)c(n1)-c1ccco1
Show InChI InChI=1S/C16H11N7O/c1-2-14(24-5-1)15-12(13-3-4-17-10-21-13)8-20-16(23-15)22-11-6-18-9-19-7-11/h1-10H,(H,20,22,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Almirall

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A1 receptor expressed in CHO cells


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50211680
PNG
(4'-(2-furyl)-N-pyrimidin-5-yl-4,5'-bipyrimidin-2'-...)
Show SMILES N(c1cncnc1)c1ncc(-c2ccncn2)c(n1)-c1ccco1
Show InChI InChI=1S/C16H11N7O/c1-2-14(24-5-1)15-12(13-3-4-17-10-21-13)8-20-16(23-15)22-11-6-18-9-19-7-11/h1-10H,(H,20,22,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Almirall

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A1 receptor expressed in CHO cells


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50211684
PNG
(4'-(2-furyl)-N-(2-methoxypyrimidin-5-yl)-4,5'-bipy...)
Show SMILES COc1ncc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)cn1
Show InChI InChI=1S/C17H13N7O2/c1-25-17-20-7-11(8-21-17)23-16-19-9-12(13-4-5-18-10-22-13)15(24-16)14-3-2-6-26-14/h2-10H,1H3,(H,19,23,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



Almirall

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A1 receptor expressed in CHO cells


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50211679
PNG
(4'-(2-furyl)-N-(1-oxidopyridin-3-yl)-4,5'-bipyrimi...)
Show SMILES [O-][n+]1cccc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)c1
Show InChI InChI=1S/C17H12N6O2/c24-23-7-1-3-12(10-23)21-17-19-9-13(14-5-6-18-11-20-14)16(22-17)15-4-2-8-25-15/h1-11H,(H,19,21,22)
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>1.00E+4n/an/an/an/an/an/an/an/a



Almirall

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A1 receptor expressed in CHO cells


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50211687
PNG
(5-{[4'-(2-furyl)-4,5'-bipyrimidin-2'-yl]amino}nico...)
Show SMILES N#Cc1cncc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)c1
Show InChI InChI=1S/C18H11N7O/c19-7-12-6-13(9-21-8-12)24-18-22-10-14(15-3-4-20-11-23-15)17(25-18)16-2-1-5-26-16/h1-6,8-11H,(H,22,24,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



Almirall

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A1 receptor expressed in CHO cells


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50211685
PNG
(4'-(2-furyl)-N-pyridin-3-yl-4,5'-bipyrimidin-2'-am...)
Show SMILES N(c1cccnc1)c1ncc(-c2ccncn2)c(n1)-c1ccco1
Show InChI InChI=1S/C17H12N6O/c1-3-12(9-18-6-1)22-17-20-10-13(14-5-7-19-11-21-14)16(23-17)15-4-2-8-24-15/h1-11H,(H,20,22,23)
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n/an/a 321n/an/an/an/an/an/a



Almirall

Curated by ChEMBL


Assay Description
Activity at human A2B receptor expressed in HEK293 cells assessed as inhibition of NECA-induced intracellular cAMP levels by ELISA


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50211685
PNG
(4'-(2-furyl)-N-pyridin-3-yl-4,5'-bipyrimidin-2'-am...)
Show SMILES N(c1cccnc1)c1ncc(-c2ccncn2)c(n1)-c1ccco1
Show InChI InChI=1S/C17H12N6O/c1-3-12(9-18-6-1)22-17-20-10-13(14-5-7-19-11-21-14)16(23-17)15-4-2-8-24-15/h1-11H,(H,20,22,23)
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n/an/a 340n/an/an/an/an/an/a



Almirall

Curated by ChEMBL


Assay Description
Inhibition of NECA-induced IL6 production in human fibroblast after 24 hrs by ELISA


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair
Adenosine A2b receptor


(Mus musculus)
BDBM50211685
PNG
(4'-(2-furyl)-N-pyridin-3-yl-4,5'-bipyrimidin-2'-am...)
Show SMILES N(c1cccnc1)c1ncc(-c2ccncn2)c(n1)-c1ccco1
Show InChI InChI=1S/C17H12N6O/c1-3-12(9-18-6-1)22-17-20-10-13(14-5-7-19-11-21-14)16(23-17)15-4-2-8-24-15/h1-11H,(H,20,22,23)
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n/an/a 349n/an/an/an/an/an/a



Almirall

Curated by ChEMBL


Assay Description
Activity at mouse A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced intracellular cAMP levels by ELISA


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair
Adenosine A2b receptor


(Mus musculus)
BDBM50211685
PNG
(4'-(2-furyl)-N-pyridin-3-yl-4,5'-bipyrimidin-2'-am...)
Show SMILES N(c1cccnc1)c1ncc(-c2ccncn2)c(n1)-c1ccco1
Show InChI InChI=1S/C17H12N6O/c1-3-12(9-18-6-1)22-17-20-10-13(14-5-7-19-11-21-14)16(23-17)15-4-2-8-24-15/h1-11H,(H,20,22,23)
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n/an/a 640n/an/an/an/an/an/a



Almirall

Curated by ChEMBL


Assay Description
Inhibition of NECA-induced IL6 production in Swiss mouse fibroblasts after 24 hrs by ELISA


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair