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Compile Data Set for Download or QSAR

Found 72 hits Enz. Inhib. hit(s) with all data for entry = 50031664   
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 A2


(Homo sapiens (Human))
BDBM50316892
PNG
(2-amino-4-phenyl-8-(2-(pyridin-4-yl)ethylamino)-5H...)
Show SMILES Nc1nc2-c3cc(NCCc4ccncc4)ccc3C(=O)c2c(n1)-c1ccccc1
Show InChI InChI=1S/C24H19N5O/c25-24-28-21(16-4-2-1-3-5-16)20-22(29-24)19-14-17(6-7-18(19)23(20)30)27-13-10-15-8-11-26-12-9-15/h1-9,11-12,14,27H,10,13H2,(H2,25,28,29)
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0.900n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316893
PNG
(2-amino-4-phenyl-8-(2-(pyridin-2-yl)ethylamino)-5H...)
Show SMILES Nc1nc2-c3cc(NCCc4ccccn4)ccc3C(=O)c2c(n1)-c1ccccc1
Show InChI InChI=1S/C24H19N5O/c25-24-28-21(15-6-2-1-3-7-15)20-22(29-24)19-14-17(9-10-18(19)23(20)30)27-13-11-16-8-4-5-12-26-16/h1-10,12,14,27H,11,13H2,(H2,25,28,29)
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0.900n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316899
PNG
(2-amino-8-(4-methylpiperazin-1-yl)-4-phenyl-5H-ind...)
Show SMILES CN1CCN(CC1)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
Show InChI InChI=1S/C22H21N5O/c1-26-9-11-27(12-10-26)15-7-8-16-17(13-15)20-18(21(16)28)19(24-22(23)25-20)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H2,23,24,25)
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2.70n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316898
PNG
(2-amino-8-morpholino-4-phenyl-5H-indeno[1,2-d]pyri...)
Show SMILES Nc1nc2-c3cc(ccc3C(=O)c2c(n1)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C21H18N4O2/c22-21-23-18(13-4-2-1-3-5-13)17-19(24-21)16-12-14(6-7-15(16)20(17)26)25-8-10-27-11-9-25/h1-7,12H,8-11H2,(H2,22,23,24)
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2.90n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316895
PNG
(2-Amino-8-[2-(1,1-dioxo-1lambda*6*-thiomorpholin-4...)
Show SMILES Nc1nc2-c3cc(NCCN4CCS(=O)(=O)CC4)ccc3C(=O)c2c(n1)-c1ccccc1
Show InChI InChI=1S/C23H23N5O3S/c24-23-26-20(15-4-2-1-3-5-15)19-21(27-23)18-14-16(6-7-17(18)22(19)29)25-8-9-28-10-12-32(30,31)13-11-28/h1-7,14,25H,8-13H2,(H2,24,26,27)
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3.10n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316894
PNG
(2-amino-8-(2-morpholinoethylamino)-4-phenyl-5H-ind...)
Show SMILES Nc1nc2-c3cc(NCCN4CCOCC4)ccc3C(=O)c2c(n1)-c1ccccc1
Show InChI InChI=1S/C23H23N5O2/c24-23-26-20(15-4-2-1-3-5-15)19-21(27-23)18-14-16(6-7-17(18)22(19)29)25-8-9-28-10-12-30-13-11-28/h1-7,14,25H,8-13H2,(H2,24,26,27)
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4.40n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316891
PNG
(2-amino-8-((2-(dimethylamino)ethyl)(methyl)amino)-...)
Show SMILES CN(C)CCN(C)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
Show InChI InChI=1S/C22H23N5O/c1-26(2)11-12-27(3)15-9-10-16-17(13-15)20-18(21(16)28)19(24-22(23)25-20)14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3,(H2,23,24,25)
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4.70n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316897
PNG
(2-amino-8-((1-ethylpiperidin-4-yl)(methyl)amino)-4...)
Show SMILES CCN1CCC(CC1)N(C)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
Show InChI InChI=1S/C25H27N5O/c1-3-30-13-11-17(12-14-30)29(2)18-9-10-19-20(15-18)23-21(24(19)31)22(27-25(26)28-23)16-7-5-4-6-8-16/h4-10,15,17H,3,11-14H2,1-2H3,(H2,26,27,28)
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4.90n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316887
PNG
(2-amino-8-(2-morpholinoethoxy)-4-phenyl-5H-indeno[...)
Show SMILES Nc1nc2-c3cc(OCCN4CCOCC4)ccc3C(=O)c2c(n1)-c1ccccc1
Show InChI InChI=1S/C23H22N4O3/c24-23-25-20(15-4-2-1-3-5-15)19-21(26-23)18-14-16(6-7-17(18)22(19)28)30-13-10-27-8-11-29-12-9-27/h1-7,14H,8-13H2,(H2,24,25,26)
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6.5n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316870
PNG
(2-amino-N-(2-(diethylamino)ethyl)-N-methyl-5-oxo-4...)
Show SMILES CCN(CC)CCN(C)C(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
Show InChI InChI=1S/C25H27N5O2/c1-4-30(5-2)14-13-29(3)24(32)17-11-12-18-19(15-17)22-20(23(18)31)21(27-25(26)28-22)16-9-7-6-8-10-16/h6-12,15H,4-5,13-14H2,1-3H3,(H2,26,27,28)
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7.80n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316883
PNG
(2-amino-8-(2-(diethylamino)ethoxy)-4-phenyl-5H-ind...)
Show SMILES CCN(CC)CCOc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
Show InChI InChI=1S/C23H24N4O2/c1-3-27(4-2)12-13-29-16-10-11-17-18(14-16)21-19(22(17)28)20(25-23(24)26-21)15-8-6-5-7-9-15/h5-11,14H,3-4,12-13H2,1-2H3,(H2,24,25,26)
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7.90n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316876
PNG
(2-amino-8-(4-methylpiperazine-1-carbonyl)-4-phenyl...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
Show InChI InChI=1S/C23H21N5O2/c1-27-9-11-28(12-10-27)22(30)15-7-8-16-17(13-15)20-18(21(16)29)19(25-23(24)26-20)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H2,24,25,26)
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8.20n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316868
PNG
(2-amino-8-(4-methyl-1,4-diazepan-1-yl)-4-phenyl-5H...)
Show SMILES CN1CCCN(CC1)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
Show InChI InChI=1S/C23H23N5O/c1-27-10-5-11-28(13-12-27)16-8-9-17-18(14-16)21-19(22(17)29)20(25-23(24)26-21)15-6-3-2-4-7-15/h2-4,6-9,14H,5,10-13H2,1H3,(H2,24,25,26)
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10n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316877
PNG
(2-amino-4-(4-fluorophenyl)-8-(4-methylpiperazine-1...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccc(F)cc3)-c2c1
Show InChI InChI=1S/C23H20FN5O2/c1-28-8-10-29(11-9-28)22(31)14-4-7-16-17(12-14)20-18(21(16)30)19(26-23(25)27-20)13-2-5-15(24)6-3-13/h2-7,12H,8-11H2,1H3,(H2,25,26,27)
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11.1n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316900
PNG
(2-amino-8-(4-ethylpiperazin-1-yl)-4-phenyl-5H-inde...)
Show SMILES CCN1CCN(CC1)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
Show InChI InChI=1S/C23H23N5O/c1-2-27-10-12-28(13-11-27)16-8-9-17-18(14-16)21-19(22(17)29)20(25-23(24)26-21)15-6-4-3-5-7-15/h3-9,14H,2,10-13H2,1H3,(H2,24,25,26)
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11.4n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50316875
PNG
(2-amino-4-phenyl-8-(piperazine-1-carbonyl)-5H-inde...)
Show SMILES Nc1nc2-c3cc(ccc3C(=O)c2c(n1)-c1ccccc1)C(=O)N1CCNCC1
Show InChI InChI=1S/C22H19N5O2/c23-22-25-18(13-4-2-1-3-5-13)17-19(26-22)16-12-14(6-7-15(16)20(17)28)21(29)27-10-8-24-9-11-27/h1-7,12,24H,8-11H2,(H2,23,25,26)
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12.3n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A1 receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316869
PNG
(2-amino-N-(2-(dimethylamino)ethyl)-N-methyl-5-oxo-...)
Show SMILES CN(C)CCN(C)C(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
Show InChI InChI=1S/C23H23N5O2/c1-27(2)11-12-28(3)22(30)15-9-10-16-17(13-15)20-18(21(16)29)19(25-23(24)26-20)14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3,(H2,24,25,26)
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12.4n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316896
PNG
(2-amino-8-(1-ethylpiperidin-4-ylamino)-4-phenyl-5H...)
Show SMILES CCN1CCC(CC1)Nc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
Show InChI InChI=1S/C24H25N5O/c1-2-29-12-10-16(11-13-29)26-17-8-9-18-19(14-17)22-20(23(18)30)21(27-24(25)28-22)15-6-4-3-5-7-15/h3-9,14,16,26H,2,10-13H2,1H3,(H2,25,27,28)
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12.5n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50316892
PNG
(2-amino-4-phenyl-8-(2-(pyridin-4-yl)ethylamino)-5H...)
Show SMILES Nc1nc2-c3cc(NCCc4ccncc4)ccc3C(=O)c2c(n1)-c1ccccc1
Show InChI InChI=1S/C24H19N5O/c25-24-28-21(16-4-2-1-3-5-16)20-22(29-24)19-14-17(6-7-18(19)23(20)30)27-13-10-15-8-11-26-12-9-15/h1-9,11-12,14,27H,10,13H2,(H2,25,28,29)
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12.7n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A1 receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316871
PNG
(2-amino-N-(2-(diethylamino)ethyl)-5-oxo-4-phenyl-5...)
Show SMILES CCN(CC)CCNC(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
Show InChI InChI=1S/C24H25N5O2/c1-3-29(4-2)13-12-26-23(31)16-10-11-17-18(14-16)21-19(22(17)30)20(27-24(25)28-21)15-8-6-5-7-9-15/h5-11,14H,3-4,12-13H2,1-2H3,(H,26,31)(H2,25,27,28)
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13.5n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316885
PNG
(2-amino-8-(2-(diisopropylamino)ethoxy)-4-phenyl-5H...)
Show SMILES CC(C)N(CCOc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1)C(C)C
Show InChI InChI=1S/C25H28N4O2/c1-15(2)29(16(3)4)12-13-31-18-10-11-19-20(14-18)23-21(24(19)30)22(27-25(26)28-23)17-8-6-5-7-9-17/h5-11,14-16H,12-13H2,1-4H3,(H2,26,27,28)
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13.7n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316878
PNG
(2-amino-8-(4-ethylpiperazine-1-carbonyl)-4-phenyl-...)
Show SMILES CCN1CCN(CC1)C(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
Show InChI InChI=1S/C24H23N5O2/c1-2-28-10-12-29(13-11-28)23(31)16-8-9-17-18(14-16)21-19(22(17)30)20(26-24(25)27-21)15-6-4-3-5-7-15/h3-9,14H,2,10-13H2,1H3,(H2,25,26,27)
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14.9n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50316893
PNG
(2-amino-4-phenyl-8-(2-(pyridin-2-yl)ethylamino)-5H...)
Show SMILES Nc1nc2-c3cc(NCCc4ccccn4)ccc3C(=O)c2c(n1)-c1ccccc1
Show InChI InChI=1S/C24H19N5O/c25-24-28-21(15-6-2-1-3-7-15)20-22(29-24)19-14-17(9-10-18(19)23(20)30)27-13-11-16-8-4-5-12-26-16/h1-10,12,14,27H,11,13H2,(H2,25,28,29)
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15.4n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A1 receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50316897
PNG
(2-amino-8-((1-ethylpiperidin-4-yl)(methyl)amino)-4...)
Show SMILES CCN1CCC(CC1)N(C)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
Show InChI InChI=1S/C25H27N5O/c1-3-30-13-11-17(12-14-30)29(2)18-9-10-19-20(15-18)23-21(24(19)31)22(27-25(26)28-23)16-7-5-4-6-8-16/h4-10,15,17H,3,11-14H2,1-2H3,(H2,26,27,28)
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16.4n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A1 receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316874
PNG
(2-amino-N-(1-isopropylpiperidin-4-yl)-5-oxo-4-phen...)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
Show InChI InChI=1S/C26H27N5O2/c1-15(2)31-12-10-18(11-13-31)28-25(33)17-8-9-19-20(14-17)23-21(24(19)32)22(29-26(27)30-23)16-6-4-3-5-7-16/h3-9,14-15,18H,10-13H2,1-2H3,(H,28,33)(H2,27,29,30)
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16.8n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316881
PNG
(2-amino-8-(2-(dimethylamino)ethoxy)-4-phenyl-5H-in...)
Show SMILES CN(C)CCOc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
Show InChI InChI=1S/C21H20N4O2/c1-25(2)10-11-27-14-8-9-15-16(12-14)19-17(20(15)26)18(23-21(22)24-19)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H2,22,23,24)
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17.3n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316888
PNG
(2-amino-4-(4-fluorophenyl)-8-(2-morpholinoethoxy)-...)
Show SMILES Nc1nc2-c3cc(OCCN4CCOCC4)ccc3C(=O)c2c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H21FN4O3/c24-15-3-1-14(2-4-15)20-19-21(27-23(25)26-20)18-13-16(5-6-17(18)22(19)29)31-12-9-28-7-10-30-11-8-28/h1-6,13H,7-12H2,(H2,25,26,27)
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18.1n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316873
PNG
(2-amino-N-methyl-N-(1-methylpiperidin-4-yl)-5-oxo-...)
Show SMILES CN(C1CCN(C)CC1)C(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
Show InChI InChI=1S/C25H25N5O2/c1-29-12-10-17(11-13-29)30(2)24(32)16-8-9-18-19(14-16)22-20(23(18)31)21(27-25(26)28-22)15-6-4-3-5-7-15/h3-9,14,17H,10-13H2,1-2H3,(H2,26,27,28)
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18.6n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316889
PNG
(2-amino-4-phenyl-8-(2-(pyrrolidin-1-yl)ethoxy)-5H-...)
Show SMILES Nc1nc2-c3cc(OCCN4CCCC4)ccc3C(=O)c2c(n1)-c1ccccc1
Show InChI InChI=1S/C23H22N4O2/c24-23-25-20(15-6-2-1-3-7-15)19-21(26-23)18-14-16(8-9-17(18)22(19)28)29-13-12-27-10-4-5-11-27/h1-3,6-9,14H,4-5,10-13H2,(H2,24,25,26)
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19.3n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316880
PNG
(2-amino-8-(4-isopropylpiperazine-1-carbonyl)-4-phe...)
Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
Show InChI InChI=1S/C25H25N5O2/c1-15(2)29-10-12-30(13-11-29)24(32)17-8-9-18-19(14-17)22-20(23(18)31)21(27-25(26)28-22)16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3,(H2,26,27,28)
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20.7n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316901
PNG
(2-amino-8-(4-(cyclopropylmethyl)piperazin-1-yl)-4-...)
Show SMILES Nc1nc2-c3cc(ccc3C(=O)c2c(n1)-c1ccccc1)N1CCN(CC2CC2)CC1
Show InChI InChI=1S/C25H25N5O/c26-25-27-22(17-4-2-1-3-5-17)21-23(28-25)20-14-18(8-9-19(20)24(21)31)30-12-10-29(11-13-30)15-16-6-7-16/h1-5,8-9,14,16H,6-7,10-13,15H2,(H2,26,27,28)
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23.2n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316872
PNG
(2-amino-N-(2-morpholinoethyl)-5-oxo-4-phenyl-5H-in...)
Show SMILES Nc1nc2-c3cc(ccc3C(=O)c2c(n1)-c1ccccc1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C24H23N5O3/c25-24-27-20(15-4-2-1-3-5-15)19-21(28-24)18-14-16(6-7-17(18)22(19)30)23(31)26-8-9-29-10-12-32-13-11-29/h1-7,14H,8-13H2,(H,26,31)(H2,25,27,28)
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28.4n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316879
PNG
(2-amino-8-(4-ethylpiperazine-1-carbonyl)-4-(4-fluo...)
Show SMILES CCN1CCN(CC1)C(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccc(F)cc3)-c2c1
Show InChI InChI=1S/C24H22FN5O2/c1-2-29-9-11-30(12-10-29)23(32)15-5-8-17-18(13-15)21-19(22(17)31)20(27-24(26)28-21)14-3-6-16(25)7-4-14/h3-8,13H,2,9-12H2,1H3,(H2,26,27,28)
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32.1n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50316898
PNG
(2-amino-8-morpholino-4-phenyl-5H-indeno[1,2-d]pyri...)
Show SMILES Nc1nc2-c3cc(ccc3C(=O)c2c(n1)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C21H18N4O2/c22-21-23-18(13-4-2-1-3-5-13)17-19(24-21)16-12-14(6-7-15(16)20(17)26)25-8-10-27-11-9-25/h1-7,12H,8-11H2,(H2,22,23,24)
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32.4n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A1 receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316875
PNG
(2-amino-4-phenyl-8-(piperazine-1-carbonyl)-5H-inde...)
Show SMILES Nc1nc2-c3cc(ccc3C(=O)c2c(n1)-c1ccccc1)C(=O)N1CCNCC1
Show InChI InChI=1S/C22H19N5O2/c23-22-25-18(13-4-2-1-3-5-13)17-19(26-22)16-12-14(6-7-15(16)20(17)28)21(29)27-10-8-24-9-11-27/h1-7,12,24H,8-11H2,(H2,23,25,26)
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32.5n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50316894
PNG
(2-amino-8-(2-morpholinoethylamino)-4-phenyl-5H-ind...)
Show SMILES Nc1nc2-c3cc(NCCN4CCOCC4)ccc3C(=O)c2c(n1)-c1ccccc1
Show InChI InChI=1S/C23H23N5O2/c24-23-26-20(15-4-2-1-3-5-15)19-21(27-23)18-14-16(6-7-17(18)22(19)29)25-8-9-28-10-12-30-13-11-28/h1-7,14,25H,8-13H2,(H2,24,26,27)
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32.7n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A1 receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50316881
PNG
(2-amino-8-(2-(dimethylamino)ethoxy)-4-phenyl-5H-in...)
Show SMILES CN(C)CCOc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
Show InChI InChI=1S/C21H20N4O2/c1-25(2)10-11-27-14-8-9-15-16(12-14)19-17(20(15)26)18(23-21(22)24-19)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H2,22,23,24)
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33.3n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A1 receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316890
PNG
(8-(2-(7-azabicyclo[2.2.1]heptan-7-yl)ethoxy)-2-ami...)
Show SMILES Nc1nc2-c3cc(OCCN4C5CCC4CC5)ccc3C(=O)c2c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H23FN4O2/c26-15-3-1-14(2-4-15)22-21-23(29-25(27)28-22)20-13-18(9-10-19(20)24(21)31)32-12-11-30-16-5-6-17(30)8-7-16/h1-4,9-10,13,16-17H,5-8,11-12H2,(H2,27,28,29)
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35.1n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316886
PNG
(2-amino-4-phenyl-8-(2-(piperidin-1-yl)ethoxy)-5H-i...)
Show SMILES Nc1nc2-c3cc(OCCN4CCCCC4)ccc3C(=O)c2c(n1)-c1ccccc1
Show InChI InChI=1S/C24H24N4O2/c25-24-26-21(16-7-3-1-4-8-16)20-22(27-24)19-15-17(9-10-18(19)23(20)29)30-14-13-28-11-5-2-6-12-28/h1,3-4,7-10,15H,2,5-6,11-14H2,(H2,25,26,27)
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35.3n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50316899
PNG
(2-amino-8-(4-methylpiperazin-1-yl)-4-phenyl-5H-ind...)
Show SMILES CN1CCN(CC1)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
Show InChI InChI=1S/C22H21N5O/c1-26-9-11-27(12-10-26)15-7-8-16-17(13-15)20-18(21(16)28)19(24-22(23)25-20)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H2,23,24,25)
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35.6n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A1 receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316882
PNG
(2-amino-8-(2-(dimethylamino)ethoxy)-4-(4-fluorophe...)
Show SMILES CN(C)CCOc1ccc2C(=O)c3c(nc(N)nc3-c3ccc(F)cc3)-c2c1
Show InChI InChI=1S/C21H19FN4O2/c1-26(2)9-10-28-14-7-8-15-16(11-14)19-17(20(15)27)18(24-21(23)25-19)12-3-5-13(22)6-4-12/h3-8,11H,9-10H2,1-2H3,(H2,23,24,25)
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37.3n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50316882
PNG
(2-amino-8-(2-(dimethylamino)ethoxy)-4-(4-fluorophe...)
Show SMILES CN(C)CCOc1ccc2C(=O)c3c(nc(N)nc3-c3ccc(F)cc3)-c2c1
Show InChI InChI=1S/C21H19FN4O2/c1-26(2)9-10-28-14-7-8-15-16(11-14)19-17(20(15)27)18(24-21(23)25-19)12-3-5-13(22)6-4-12/h3-8,11H,9-10H2,1-2H3,(H2,23,24,25)
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37.4n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A1 receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50316871
PNG
(2-amino-N-(2-(diethylamino)ethyl)-5-oxo-4-phenyl-5...)
Show SMILES CCN(CC)CCNC(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
Show InChI InChI=1S/C24H25N5O2/c1-3-29(4-2)13-12-26-23(31)16-10-11-17-18(14-16)21-19(22(17)30)20(27-24(25)28-21)15-8-6-5-7-9-15/h5-11,14H,3-4,12-13H2,1-2H3,(H,26,31)(H2,25,27,28)
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45.2n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A1 receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50316895
PNG
(2-Amino-8-[2-(1,1-dioxo-1lambda*6*-thiomorpholin-4...)
Show SMILES Nc1nc2-c3cc(NCCN4CCS(=O)(=O)CC4)ccc3C(=O)c2c(n1)-c1ccccc1
Show InChI InChI=1S/C23H23N5O3S/c24-23-26-20(15-4-2-1-3-5-15)19-21(27-23)18-14-16(6-7-17(18)22(19)29)25-8-9-28-10-12-32(30,31)13-11-28/h1-7,14,25H,8-13H2,(H2,24,26,27)
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46.7n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A1 receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50316887
PNG
(2-amino-8-(2-morpholinoethoxy)-4-phenyl-5H-indeno[...)
Show SMILES Nc1nc2-c3cc(OCCN4CCOCC4)ccc3C(=O)c2c(n1)-c1ccccc1
Show InChI InChI=1S/C23H22N4O3/c24-23-25-20(15-4-2-1-3-5-15)19-21(26-23)18-14-16(6-7-17(18)22(19)28)30-13-10-27-8-11-29-12-9-27/h1-7,14H,8-13H2,(H2,24,25,26)
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48.2n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A1 receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316884
PNG
(2-amino-8-(2-(diethylamino)ethoxy)-4-(4-fluorophen...)
Show SMILES CCN(CC)CCOc1ccc2C(=O)c3c(nc(N)nc3-c3ccc(F)cc3)-c2c1
Show InChI InChI=1S/C23H23FN4O2/c1-3-28(4-2)11-12-30-16-9-10-17-18(13-16)21-19(22(17)29)20(26-23(25)27-21)14-5-7-15(24)8-6-14/h5-10,13H,3-4,11-12H2,1-2H3,(H2,25,26,27)
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50.6n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50316891
PNG
(2-amino-8-((2-(dimethylamino)ethyl)(methyl)amino)-...)
Show SMILES CN(C)CCN(C)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
Show InChI InChI=1S/C22H23N5O/c1-26(2)11-12-27(3)15-9-10-16-17(13-15)20-18(21(16)28)19(24-22(23)25-20)14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3,(H2,23,24,25)
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57.3n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A1 receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50316876
PNG
(2-amino-8-(4-methylpiperazine-1-carbonyl)-4-phenyl...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
Show InChI InChI=1S/C23H21N5O2/c1-27-9-11-28(12-10-27)22(30)15-7-8-16-17(13-15)20-18(21(16)29)19(25-23(24)26-20)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H2,24,25,26)
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58.4n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A1 receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50316878
PNG
(2-amino-8-(4-ethylpiperazine-1-carbonyl)-4-phenyl-...)
Show SMILES CCN1CCN(CC1)C(=O)c1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
Show InChI InChI=1S/C24H23N5O2/c1-2-28-10-12-29(13-11-28)23(31)16-8-9-17-18(14-16)21-19(22(17)30)20(26-24(25)27-21)15-6-4-3-5-7-15/h3-9,14H,2,10-13H2,1H3,(H2,25,26,27)
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67.4n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A1 receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316902
PNG
(2-amino-8-(2-(diisopropylamino)ethoxy)-4-(4-fluoro...)
Show SMILES CC(C)N(CCOc1ccc2C(=O)c3c(nc(N)nc3-c3ccc(F)cc3)-c2c1)C(C)C
Show InChI InChI=1S/C25H27FN4O2/c1-14(2)30(15(3)4)11-12-32-18-9-10-19-20(13-18)23-21(24(19)31)22(28-25(27)29-23)16-5-7-17(26)8-6-16/h5-10,13-15H,11-12H2,1-4H3,(H2,27,28,29)
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76.6n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
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