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14 similar compounds to monomer 50315643

Compile data set for download or QSAR
Wt: 373.3
BDBM50109453
Wt: 449.4
BDBM50298556
Wt: 423.4
BDBM50298533
Wt: 369.3
BDBM50315633
Wt: 403.8
BDBM50315635
Wt: 401.3
BDBM50315644
Wt: 417.8
BDBM50315645
Wt: 462.3
BDBM50315646
Wt: 413.4
BDBM50315647
Wt: 428.4
BDBM50315648
Wt: 507.9
BDBM50343135
Wt: 473.5
BDBM50355159
Wt: 491.5
BDBM50355160
Wt: 552.4
BDBM50355161

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 68 hits for monomerid = 50109453,50298556,50298533,50315633,50315635,50315644,50315645,50315646,50315647,50315648,50343135,50355159,50355160,50355161   
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 A3


(Homo sapiens (Human))
BDBM50315644
PNG
(CHEMBL1091640 | N-[2-(4-Fluorophenyl)-8-methylpyra...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccc(F)cc1
Show InChI InChI=1S/C21H16FN7O/c1-28-12-16-19(26-28)25-21(23-17(30)11-13-5-3-2-4-6-13)29-20(16)24-18(27-29)14-7-9-15(22)10-8-14/h2-10,12H,11H2,1H3,(H,23,25,26,30)
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0.201n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in CHO cells


J Med Chem 53: 3361-75 (2010)


Article DOI: 10.1021/jm100049f
BindingDB Entry DOI: 10.7270/Q2DR2VNJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50315647
PNG
(CHEMBL1091938 | N-[2-(4-Methoxyphenyl)-8-methylpyr...)
Show SMILES COc1ccc(cc1)-c1nc2c3cn(C)nc3nc(NC(=O)Cc3ccccc3)n2n1
Show InChI InChI=1S/C22H19N7O2/c1-28-13-17-20(26-28)25-22(23-18(30)12-14-6-4-3-5-7-14)29-21(17)24-19(27-29)15-8-10-16(31-2)11-9-15/h3-11,13H,12H2,1-2H3,(H,23,25,26,30)
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0.241n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in CHO cells


J Med Chem 53: 3361-75 (2010)


Article DOI: 10.1021/jm100049f
BindingDB Entry DOI: 10.7270/Q2DR2VNJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50315645
PNG
(CHEMBL1091641 | N-[2-(4-Chlorophenyl)-8-methylpyra...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H16ClN7O/c1-28-12-16-19(26-28)25-21(23-17(30)11-13-5-3-2-4-6-13)29-20(16)24-18(27-29)14-7-9-15(22)10-8-14/h2-10,12H,11H2,1H3,(H,23,25,26,30)
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0.248n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in CHO cells


J Med Chem 53: 3361-75 (2010)


Article DOI: 10.1021/jm100049f
BindingDB Entry DOI: 10.7270/Q2DR2VNJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50315646
PNG
(CHEMBL1091937 | N-[2-(4-Bromophenyl)-8-methylpyraz...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccc(Br)cc1
Show InChI InChI=1S/C21H16BrN7O/c1-28-12-16-19(26-28)25-21(23-17(30)11-13-5-3-2-4-6-13)29-20(16)24-18(27-29)14-7-9-15(22)10-8-14/h2-10,12H,11H2,1H3,(H,23,25,26,30)
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0.345n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in CHO cells


J Med Chem 53: 3361-75 (2010)


Article DOI: 10.1021/jm100049f
BindingDB Entry DOI: 10.7270/Q2DR2VNJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50315648
PNG
(CHEMBL1090461 | N-[2-(4-Nitrophenyl)-8-methylpyraz...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C21H16N8O3/c1-27-12-16-19(25-27)24-21(22-17(30)11-13-5-3-2-4-6-13)28-20(16)23-18(26-28)14-7-9-15(10-8-14)29(31)32/h2-10,12H,11H2,1H3,(H,22,24,25,30)
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0.624n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in CHO cells


J Med Chem 53: 3361-75 (2010)


Article DOI: 10.1021/jm100049f
BindingDB Entry DOI: 10.7270/Q2DR2VNJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50109453
PNG
(CHEMBL341376 | N-(2-(furan-2-yl)-8-methyl-8H-pyraz...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C19H15N7O2/c1-25-11-13-16(23-25)22-19(20-15(27)10-12-6-3-2-4-7-12)26-18(13)21-17(24-26)14-8-5-9-28-14/h2-9,11H,10H2,1H3,(H,20,22,23,27)
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0.810n/an/an/an/an/an/an/an/a



Università degli Studi di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE3008-F20 from human A3 receptors expressed in HEK-293 cells


J Med Chem 46: 4287-96 (2003)


Article DOI: 10.1021/jm030852k
BindingDB Entry DOI: 10.7270/Q2348JRF
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50109453
PNG
(CHEMBL341376 | N-(2-(furan-2-yl)-8-methyl-8H-pyraz...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C19H15N7O2/c1-25-11-13-16(23-25)22-19(20-15(27)10-12-6-3-2-4-7-12)26-18(13)21-17(24-26)14-8-5-9-28-14/h2-9,11H,10H2,1H3,(H,20,22,23,27)
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0.810n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3]-MRE-3008F20 from human Adenosine A3 receptor expressed in CHO cells


J Med Chem 45: 770-80 (2002)


Article DOI: 10.1021/jm0109614
BindingDB Entry DOI: 10.7270/Q27W6BHW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50109453
PNG
(CHEMBL341376 | N-(2-(furan-2-yl)-8-methyl-8H-pyraz...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C19H15N7O2/c1-25-11-13-16(23-25)22-19(20-15(27)10-12-6-3-2-4-7-12)26-18(13)21-17(24-26)14-8-5-9-28-14/h2-9,11H,10H2,1H3,(H,20,22,23,27)
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0.810n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A3 receptor


Bioorg Med Chem Lett 21: 2898-905 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.073
BindingDB Entry DOI: 10.7270/Q2VH5P5Z
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50109453
PNG
(CHEMBL341376 | N-(2-(furan-2-yl)-8-methyl-8H-pyraz...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C19H15N7O2/c1-25-11-13-16(23-25)22-19(20-15(27)10-12-6-3-2-4-7-12)26-18(13)21-17(24-26)14-8-5-9-28-14/h2-9,11H,10H2,1H3,(H,20,22,23,27)
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0.810n/an/an/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Binding affinity for human adenosine A3 receptor


J Med Chem 48: 152-62 (2005)


Article DOI: 10.1021/jm049662f
BindingDB Entry DOI: 10.7270/Q2183609
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50109453
PNG
(CHEMBL341376 | N-(2-(furan-2-yl)-8-methyl-8H-pyraz...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C19H15N7O2/c1-25-11-13-16(23-25)22-19(20-15(27)10-12-6-3-2-4-7-12)26-18(13)21-17(24-26)14-8-5-9-28-14/h2-9,11H,10H2,1H3,(H,20,22,23,27)
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0.810n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in CHO cells


J Med Chem 53: 3361-75 (2010)


Article DOI: 10.1021/jm100049f
BindingDB Entry DOI: 10.7270/Q2DR2VNJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50109453
PNG
(CHEMBL341376 | N-(2-(furan-2-yl)-8-methyl-8H-pyraz...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C19H15N7O2/c1-25-11-13-16(23-25)22-19(20-15(27)10-12-6-3-2-4-7-12)26-18(13)21-17(24-26)14-8-5-9-28-14/h2-9,11H,10H2,1H3,(H,20,22,23,27)
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0.810n/an/an/an/an/an/an/an/a



Universit£ di Padova

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem 17: 5259-74 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.05.038
BindingDB Entry DOI: 10.7270/Q23N23FX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50315635
PNG
(CHEMBL1089905 | N-[2-(4-Chlorophenyl)-8-methylpyra...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)c1ccccc1)n1nc(nc21)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H14ClN7O/c1-27-11-15-17(25-27)23-20(24-19(29)13-5-3-2-4-6-13)28-18(15)22-16(26-28)12-7-9-14(21)10-8-12/h2-11H,1H3,(H,23,24,25,29)
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2.82n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in CHO cells


J Med Chem 53: 3361-75 (2010)


Article DOI: 10.1021/jm100049f
BindingDB Entry DOI: 10.7270/Q2DR2VNJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50355159
PNG
(CHEMBL1834700)
Show SMILES O=C(Cc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C28H23N7O/c36-24(18-21-12-6-2-7-13-21)29-28-31-26-23(19-34(32-26)17-16-20-10-4-1-5-11-20)27-30-25(33-35(27)28)22-14-8-3-9-15-22/h1-15,19H,16-18H2,(H,29,31,32,36)
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3.02n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 3 hrs


Bioorg Med Chem 19: 6120-34 (2011)


Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50355160
PNG
(CHEMBL1834701)
Show SMILES Fc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)Cc3ccccc3)n2n1
Show InChI InChI=1S/C28H22FN7O/c29-22-13-11-21(12-14-22)25-31-27-23-18-35(16-15-19-7-3-1-4-8-19)33-26(23)32-28(36(27)34-25)30-24(37)17-20-9-5-2-6-10-20/h1-14,18H,15-17H2,(H,30,32,33,37)
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3.34n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 3 hrs


Bioorg Med Chem 19: 6120-34 (2011)


Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50315633
PNG
(CHEMBL1089904 | N-[2-(Phenyl)-8-methylpyrazolo[4,3...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)c1ccccc1)n1nc(nc21)-c1ccccc1
Show InChI InChI=1S/C20H15N7O/c1-26-12-15-17(24-26)22-20(23-19(28)14-10-6-3-7-11-14)27-18(15)21-16(25-27)13-8-4-2-5-9-13/h2-12H,1H3,(H,22,23,24,28)
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5n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in CHO cells


J Med Chem 53: 3361-75 (2010)


Article DOI: 10.1021/jm100049f
BindingDB Entry DOI: 10.7270/Q2DR2VNJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50343135
PNG
(CHEMBL1770311 | N-(2-(4-chlorophenyl)-8-phenethyl-...)
Show SMILES Clc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)Cc3ccccc3)n2n1
Show InChI InChI=1S/C28H22ClN7O/c29-22-13-11-21(12-14-22)25-31-27-23-18-35(16-15-19-7-3-1-4-8-19)33-26(23)32-28(36(27)34-25)30-24(37)17-20-9-5-2-6-10-20/h1-14,18H,15-17H2,(H,30,32,33,37)
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8.48n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A3 receptor


Bioorg Med Chem Lett 21: 2898-905 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.073
BindingDB Entry DOI: 10.7270/Q2VH5P5Z
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50343135
PNG
(CHEMBL1770311 | N-(2-(4-chlorophenyl)-8-phenethyl-...)
Show SMILES Clc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)Cc3ccccc3)n2n1
Show InChI InChI=1S/C28H22ClN7O/c29-22-13-11-21(12-14-22)25-31-27-23-18-35(16-15-19-7-3-1-4-8-19)33-26(23)32-28(36(27)34-25)30-24(37)17-20-9-5-2-6-10-20/h1-14,18H,15-17H2,(H,30,32,33,37)
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8.48n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 3 hrs


Bioorg Med Chem 19: 6120-34 (2011)


Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50298556
PNG
(5-[(4-Biphenylmethyl)carbonyl]amino-8-methyl-2-(2-...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Cc1ccc(cc1)-c1ccccc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C25H19N7O2/c1-31-15-19-22(29-31)28-25(32-24(19)27-23(30-32)20-8-5-13-34-20)26-21(33)14-16-9-11-18(12-10-16)17-6-3-2-4-7-17/h2-13,15H,14H2,1H3,(H,26,28,29,33)
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11.2n/an/an/an/an/an/an/an/a



Universit£ di Padova

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem 17: 5259-74 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.05.038
BindingDB Entry DOI: 10.7270/Q23N23FX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50298533
PNG
(5-[(beta-Naphthylmethyl)carbonyl]amino-8-methyl-2-...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Cc1ccc3ccccc3c1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C23H17N7O2/c1-29-13-17-20(27-29)26-23(30-22(17)25-21(28-30)18-7-4-10-32-18)24-19(31)12-14-8-9-15-5-2-3-6-16(15)11-14/h2-11,13H,12H2,1H3,(H,24,26,27,31)
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14.5n/an/an/an/an/an/an/an/a



Universit£ di Padova

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem 17: 5259-74 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.05.038
BindingDB Entry DOI: 10.7270/Q23N23FX
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50298533
PNG
(5-[(beta-Naphthylmethyl)carbonyl]amino-8-methyl-2-...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Cc1ccc3ccccc3c1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C23H17N7O2/c1-29-13-17-20(27-29)26-23(30-22(17)25-21(28-30)18-7-4-10-32-18)24-19(31)12-14-8-9-15-5-2-3-6-16(15)11-14/h2-11,13H,12H2,1H3,(H,24,26,27,31)
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77.5n/an/an/an/an/an/an/an/a



Universit£ di Padova

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


Bioorg Med Chem 17: 5259-74 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.05.038
BindingDB Entry DOI: 10.7270/Q23N23FX
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50109453
PNG
(CHEMBL341376 | N-(2-(furan-2-yl)-8-methyl-8H-pyraz...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C19H15N7O2/c1-25-11-13-16(23-25)22-19(20-15(27)10-12-6-3-2-4-7-12)26-18(13)21-17(24-26)14-8-5-9-28-14/h2-9,11H,10H2,1H3,(H,20,22,23,27)
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165n/an/an/an/an/an/an/an/a



Università degli Studi di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A2B receptor expressed in HEK-293 cells


J Med Chem 46: 4287-96 (2003)


Article DOI: 10.1021/jm030852k
BindingDB Entry DOI: 10.7270/Q2348JRF
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50109453
PNG
(CHEMBL341376 | N-(2-(furan-2-yl)-8-methyl-8H-pyraz...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C19H15N7O2/c1-25-11-13-16(23-25)22-19(20-15(27)10-12-6-3-2-4-7-12)26-18(13)21-17(24-26)14-8-5-9-28-14/h2-9,11H,10H2,1H3,(H,20,22,23,27)
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165n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human Adenosine A2B receptor expressed in HEK-293 cells


J Med Chem 45: 770-80 (2002)


Article DOI: 10.1021/jm0109614
BindingDB Entry DOI: 10.7270/Q27W6BHW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50298533
PNG
(5-[(beta-Naphthylmethyl)carbonyl]amino-8-methyl-2-...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Cc1ccc3ccccc3c1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C23H17N7O2/c1-29-13-17-20(27-29)26-23(30-22(17)25-21(28-30)18-7-4-10-32-18)24-19(31)12-14-8-9-15-5-2-3-6-16(15)11-14/h2-11,13H,12H2,1H3,(H,24,26,27,31)
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190n/an/an/an/an/an/an/an/a



Universit£ di Padova

Curated by ChEMBL


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


Bioorg Med Chem 17: 5259-74 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.05.038
BindingDB Entry DOI: 10.7270/Q23N23FX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50355159
PNG
(CHEMBL1834700)
Show SMILES O=C(Cc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C28H23N7O/c36-24(18-21-12-6-2-7-13-21)29-28-31-26-23(19-34(32-26)17-16-20-10-4-1-5-11-20)27-30-25(33-35(27)28)22-14-8-3-9-15-22/h1-15,19H,16-18H2,(H,29,31,32,36)
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192n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 3 hrs


Bioorg Med Chem 19: 6120-34 (2011)


Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50298556
PNG
(5-[(4-Biphenylmethyl)carbonyl]amino-8-methyl-2-(2-...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Cc1ccc(cc1)-c1ccccc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C25H19N7O2/c1-31-15-19-22(29-31)28-25(32-24(19)27-23(30-32)20-8-5-13-34-20)26-21(33)14-16-9-11-18(12-10-16)17-6-3-2-4-7-17/h2-13,15H,14H2,1H3,(H,26,28,29,33)
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193n/an/an/an/an/an/an/an/a



Universit£ di Padova

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


Bioorg Med Chem 17: 5259-74 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.05.038
BindingDB Entry DOI: 10.7270/Q23N23FX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50355160
PNG
(CHEMBL1834701)
Show SMILES Fc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)Cc3ccccc3)n2n1
Show InChI InChI=1S/C28H22FN7O/c29-22-13-11-21(12-14-22)25-31-27-23-18-35(16-15-19-7-3-1-4-8-19)33-26(23)32-28(36(27)34-25)30-24(37)17-20-9-5-2-6-10-20/h1-14,18H,15-17H2,(H,30,32,33,37)
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232n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 3 hrs


Bioorg Med Chem 19: 6120-34 (2011)


Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50315633
PNG
(CHEMBL1089904 | N-[2-(Phenyl)-8-methylpyrazolo[4,3...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)c1ccccc1)n1nc(nc21)-c1ccccc1
Show InChI InChI=1S/C20H15N7O/c1-26-12-15-17(24-26)22-20(23-19(28)14-10-6-3-7-11-14)27-18(15)21-16(25-27)13-8-4-2-5-9-13/h2-12H,1H3,(H,22,23,24,28)
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324n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human cloned adenosine A2a receptor expressed in CHO cells


J Med Chem 53: 3361-75 (2010)


Article DOI: 10.1021/jm100049f
BindingDB Entry DOI: 10.7270/Q2DR2VNJ
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50109453
PNG
(CHEMBL341376 | N-(2-(furan-2-yl)-8-methyl-8H-pyraz...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C19H15N7O2/c1-25-11-13-16(23-25)22-19(20-15(27)10-12-6-3-2-4-7-12)26-18(13)21-17(24-26)14-8-5-9-28-14/h2-9,11H,10H2,1H3,(H,20,22,23,27)
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423n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH-58,261 from human Adenosine A2A receptor expressed in CHO cells


J Med Chem 45: 770-80 (2002)


Article DOI: 10.1021/jm0109614
BindingDB Entry DOI: 10.7270/Q27W6BHW
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50109453
PNG
(CHEMBL341376 | N-(2-(furan-2-yl)-8-methyl-8H-pyraz...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C19H15N7O2/c1-25-11-13-16(23-25)22-19(20-15(27)10-12-6-3-2-4-7-12)26-18(13)21-17(24-26)14-8-5-9-28-14/h2-9,11H,10H2,1H3,(H,20,22,23,27)
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423n/an/an/an/an/an/an/an/a



Universit£ di Padova

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


Bioorg Med Chem 17: 5259-74 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.05.038
BindingDB Entry DOI: 10.7270/Q23N23FX
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50109453
PNG
(CHEMBL341376 | N-(2-(furan-2-yl)-8-methyl-8H-pyraz...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C19H15N7O2/c1-25-11-13-16(23-25)22-19(20-15(27)10-12-6-3-2-4-7-12)26-18(13)21-17(24-26)14-8-5-9-28-14/h2-9,11H,10H2,1H3,(H,20,22,23,27)
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423n/an/an/an/an/an/an/an/a



Università degli Studi di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM-241,385 from human adenosine A2A receptors expressed in HEK-293 cells


J Med Chem 46: 4287-96 (2003)


Article DOI: 10.1021/jm030852k
BindingDB Entry DOI: 10.7270/Q2348JRF
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50355160
PNG
(CHEMBL1834701)
Show SMILES Fc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)Cc3ccccc3)n2n1
Show InChI InChI=1S/C28H22FN7O/c29-22-13-11-21(12-14-22)25-31-27-23-18-35(16-15-19-7-3-1-4-8-19)33-26(23)32-28(36(27)34-25)30-24(37)17-20-9-5-2-6-10-20/h1-14,18H,15-17H2,(H,30,32,33,37)
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571n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine 2A receptor expressed in CHO cells after 3 hrs


Bioorg Med Chem 19: 6120-34 (2011)


Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50355159
PNG
(CHEMBL1834700)
Show SMILES O=C(Cc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C28H23N7O/c36-24(18-21-12-6-2-7-13-21)29-28-31-26-23(19-34(32-26)17-16-20-10-4-1-5-11-20)27-30-25(33-35(27)28)22-14-8-3-9-15-22/h1-15,19H,16-18H2,(H,29,31,32,36)
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614n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine 2A receptor expressed in CHO cells after 3 hrs


Bioorg Med Chem 19: 6120-34 (2011)


Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50315633
PNG
(CHEMBL1089904 | N-[2-(Phenyl)-8-methylpyrazolo[4,3...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)c1ccccc1)n1nc(nc21)-c1ccccc1
Show InChI InChI=1S/C20H15N7O/c1-26-12-15-17(24-26)22-20(23-19(28)14-10-6-3-7-11-14)27-18(15)21-16(25-27)13-8-4-2-5-9-13/h2-12H,1H3,(H,22,23,24,28)
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622n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


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


J Med Chem 53: 3361-75 (2010)


Article DOI: 10.1021/jm100049f
BindingDB Entry DOI: 10.7270/Q2DR2VNJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50109453
PNG
(CHEMBL341376 | N-(2-(furan-2-yl)-8-methyl-8H-pyraz...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C19H15N7O2/c1-25-11-13-16(23-25)22-19(20-15(27)10-12-6-3-2-4-7-12)26-18(13)21-17(24-26)14-8-5-9-28-14/h2-9,11H,10H2,1H3,(H,20,22,23,27)
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702n/an/an/an/an/an/an/an/a



Università degli Studi di Trieste

Curated by ChEMBL


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


J Med Chem 46: 4287-96 (2003)


Article DOI: 10.1021/jm030852k
BindingDB Entry DOI: 10.7270/Q2348JRF
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50109453
PNG
(CHEMBL341376 | N-(2-(furan-2-yl)-8-methyl-8H-pyraz...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C19H15N7O2/c1-25-11-13-16(23-25)22-19(20-15(27)10-12-6-3-2-4-7-12)26-18(13)21-17(24-26)14-8-5-9-28-14/h2-9,11H,10H2,1H3,(H,20,22,23,27)
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702n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


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


J Med Chem 45: 770-80 (2002)


Article DOI: 10.1021/jm0109614
BindingDB Entry DOI: 10.7270/Q27W6BHW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50109453
PNG
(CHEMBL341376 | N-(2-(furan-2-yl)-8-methyl-8H-pyraz...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C19H15N7O2/c1-25-11-13-16(23-25)22-19(20-15(27)10-12-6-3-2-4-7-12)26-18(13)21-17(24-26)14-8-5-9-28-14/h2-9,11H,10H2,1H3,(H,20,22,23,27)
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813n/an/an/an/an/an/an/an/a



University Institute of Pharmaceutical Sciences and UGC Center of Advanced Study in Pharmaceutical Sciences (UGC-CAS)

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins


Bioorg Med Chem Lett 21: 818-23 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.094
BindingDB Entry DOI: 10.7270/Q2XP766Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50343135
PNG
(CHEMBL1770311 | N-(2-(4-chlorophenyl)-8-phenethyl-...)
Show SMILES Clc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)Cc3ccccc3)n2n1
Show InChI InChI=1S/C28H22ClN7O/c29-22-13-11-21(12-14-22)25-31-27-23-18-35(16-15-19-7-3-1-4-8-19)33-26(23)32-28(36(27)34-25)30-24(37)17-20-9-5-2-6-10-20/h1-14,18H,15-17H2,(H,30,32,33,37)
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932n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 3 hrs


Bioorg Med Chem 19: 6120-34 (2011)


Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50298556
PNG
(5-[(4-Biphenylmethyl)carbonyl]amino-8-methyl-2-(2-...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Cc1ccc(cc1)-c1ccccc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C25H19N7O2/c1-31-15-19-22(29-31)28-25(32-24(19)27-23(30-32)20-8-5-13-34-20)26-21(33)14-16-9-11-18(12-10-16)17-6-3-2-4-7-17/h2-13,15H,14H2,1H3,(H,26,28,29,33)
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1.46E+3n/an/an/an/an/an/an/an/a



Universit£ di Padova

Curated by ChEMBL


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


Bioorg Med Chem 17: 5259-74 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.05.038
BindingDB Entry DOI: 10.7270/Q23N23FX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50315644
PNG
(CHEMBL1091640 | N-[2-(4-Fluorophenyl)-8-methylpyra...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccc(F)cc1
Show InChI InChI=1S/C21H16FN7O/c1-28-12-16-19(26-28)25-21(23-17(30)11-13-5-3-2-4-6-13)29-20(16)24-18(27-29)14-7-9-15(22)10-8-14/h2-10,12H,11H2,1H3,(H,23,25,26,30)
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2.29E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


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


J Med Chem 53: 3361-75 (2010)


Article DOI: 10.1021/jm100049f
BindingDB Entry DOI: 10.7270/Q2DR2VNJ
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50315644
PNG
(CHEMBL1091640 | N-[2-(4-Fluorophenyl)-8-methylpyra...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccc(F)cc1
Show InChI InChI=1S/C21H16FN7O/c1-28-12-16-19(26-28)25-21(23-17(30)11-13-5-3-2-4-6-13)29-20(16)24-18(27-29)14-7-9-15(22)10-8-14/h2-10,12H,11H2,1H3,(H,23,25,26,30)
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2.54E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human cloned adenosine A2a receptor expressed in CHO cells


J Med Chem 53: 3361-75 (2010)


Article DOI: 10.1021/jm100049f
BindingDB Entry DOI: 10.7270/Q2DR2VNJ
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50343135
PNG
(CHEMBL1770311 | N-(2-(4-chlorophenyl)-8-phenethyl-...)
Show SMILES Clc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)Cc3ccccc3)n2n1
Show InChI InChI=1S/C28H22ClN7O/c29-22-13-11-21(12-14-22)25-31-27-23-18-35(16-15-19-7-3-1-4-8-19)33-26(23)32-28(36(27)34-25)30-24(37)17-20-9-5-2-6-10-20/h1-14,18H,15-17H2,(H,30,32,33,37)
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3.09E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine 2A receptor expressed in CHO cells after 3 hrs


Bioorg Med Chem 19: 6120-34 (2011)


Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50315645
PNG
(CHEMBL1091641 | N-[2-(4-Chlorophenyl)-8-methylpyra...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H16ClN7O/c1-28-12-16-19(26-28)25-21(23-17(30)11-13-5-3-2-4-6-13)29-20(16)24-18(27-29)14-7-9-15(22)10-8-14/h2-10,12H,11H2,1H3,(H,23,25,26,30)
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4.85E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


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


J Med Chem 53: 3361-75 (2010)


Article DOI: 10.1021/jm100049f
BindingDB Entry DOI: 10.7270/Q2DR2VNJ
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50315645
PNG
(CHEMBL1091641 | N-[2-(4-Chlorophenyl)-8-methylpyra...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H16ClN7O/c1-28-12-16-19(26-28)25-21(23-17(30)11-13-5-3-2-4-6-13)29-20(16)24-18(27-29)14-7-9-15(22)10-8-14/h2-10,12H,11H2,1H3,(H,23,25,26,30)
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8.32E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human cloned adenosine A2a receptor expressed in CHO cells


J Med Chem 53: 3361-75 (2010)


Article DOI: 10.1021/jm100049f
BindingDB Entry DOI: 10.7270/Q2DR2VNJ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50315644
PNG
(CHEMBL1091640 | N-[2-(4-Fluorophenyl)-8-methylpyra...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccc(F)cc1
Show InChI InChI=1S/C21H16FN7O/c1-28-12-16-19(26-28)25-21(23-17(30)11-13-5-3-2-4-6-13)29-20(16)24-18(27-29)14-7-9-15(22)10-8-14/h2-10,12H,11H2,1H3,(H,23,25,26,30)
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>1.00E+4n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned adenosine A2b receptor expressed in CHO cells assessed as inhibition of NECA-stimulated cAMP accumulation


J Med Chem 53: 3361-75 (2010)


Article DOI: 10.1021/jm100049f
BindingDB Entry DOI: 10.7270/Q2DR2VNJ
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50355161
PNG
(CHEMBL1834702)
Show SMILES Brc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)Cc3ccccc3)n2n1
Show InChI InChI=1S/C28H22BrN7O/c29-22-13-11-21(12-14-22)25-31-27-23-18-35(16-15-19-7-3-1-4-8-19)33-26(23)32-28(36(27)34-25)30-24(37)17-20-9-5-2-6-10-20/h1-14,18H,15-17H2,(H,30,32,33,37)
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>1.00E+4n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine 2A receptor expressed in CHO cells after 3 hrs


Bioorg Med Chem 19: 6120-34 (2011)


Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50355161
PNG
(CHEMBL1834702)
Show SMILES Brc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)Cc3ccccc3)n2n1
Show InChI InChI=1S/C28H22BrN7O/c29-22-13-11-21(12-14-22)25-31-27-23-18-35(16-15-19-7-3-1-4-8-19)33-26(23)32-28(36(27)34-25)30-24(37)17-20-9-5-2-6-10-20/h1-14,18H,15-17H2,(H,30,32,33,37)
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>1.00E+4n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 3 hrs


Bioorg Med Chem 19: 6120-34 (2011)


Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50355161
PNG
(CHEMBL1834702)
Show SMILES Brc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)Cc3ccccc3)n2n1
Show InChI InChI=1S/C28H22BrN7O/c29-22-13-11-21(12-14-22)25-31-27-23-18-35(16-15-19-7-3-1-4-8-19)33-26(23)32-28(36(27)34-25)30-24(37)17-20-9-5-2-6-10-20/h1-14,18H,15-17H2,(H,30,32,33,37)
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>1.00E+4n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 3 hrs


Bioorg Med Chem 19: 6120-34 (2011)


Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50355161
PNG
(CHEMBL1834702)
Show SMILES Brc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)Cc3ccccc3)n2n1
Show InChI InChI=1S/C28H22BrN7O/c29-22-13-11-21(12-14-22)25-31-27-23-18-35(16-15-19-7-3-1-4-8-19)33-26(23)32-28(36(27)34-25)30-24(37)17-20-9-5-2-6-10-20/h1-14,18H,15-17H2,(H,30,32,33,37)
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>1.00E+4n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Antagonist activity human recombinant adenosine 2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activit...


Bioorg Med Chem 19: 6120-34 (2011)


Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50315648
PNG
(CHEMBL1090461 | N-[2-(4-Nitrophenyl)-8-methylpyraz...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C21H16N8O3/c1-27-12-16-19(25-27)24-21(22-17(30)11-13-5-3-2-4-6-13)28-20(16)23-18(26-28)14-7-9-15(10-8-14)29(31)32/h2-10,12H,11H2,1H3,(H,22,24,25,30)
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>1.00E+4n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned adenosine A2b receptor expressed in CHO cells assessed as inhibition of NECA-stimulated cAMP accumulation


J Med Chem 53: 3361-75 (2010)


Article DOI: 10.1021/jm100049f
BindingDB Entry DOI: 10.7270/Q2DR2VNJ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50315647
PNG
(CHEMBL1091938 | N-[2-(4-Methoxyphenyl)-8-methylpyr...)
Show SMILES COc1ccc(cc1)-c1nc2c3cn(C)nc3nc(NC(=O)Cc3ccccc3)n2n1
Show InChI InChI=1S/C22H19N7O2/c1-28-13-17-20(26-28)25-22(23-18(30)12-14-6-4-3-5-7-14)29-21(17)24-19(27-29)15-8-10-16(31-2)11-9-15/h3-11,13H,12H2,1-2H3,(H,23,25,26,30)
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>1.00E+4n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned adenosine A2b receptor expressed in CHO cells assessed as inhibition of NECA-stimulated cAMP accumulation


J Med Chem 53: 3361-75 (2010)


Article DOI: 10.1021/jm100049f
BindingDB Entry DOI: 10.7270/Q2DR2VNJ
More data for this
Ligand-Target Pair
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