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14 similar compounds to monomer 50316992

Compile data set for download or QSAR
Wt: 374.4
BDBM50316993
Wt: 384.4
BDBM50316994
Wt: 387.4
BDBM50317016
Wt: 358.4
BDBM50317017
Wt: 370.4
BDBM50317018
Wt: 385.4
BDBM50317019
Wt: 413.4
BDBM50317020
Wt: 384.4
BDBM50317021
Wt: 372.4
BDBM50317022
Wt: 390.4
BDBM50317023
Wt: 397.4
BDBM50317024
Wt: 356.4
BDBM50330987
Wt: 382.4
BDBM50394723
Wt: 384.4
BDBM50394724

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 32 hits for monomerid = 50316993,50316994,50317016,50317017,50317018,50317019,50317020,50317021,50317022,50317023,50317024,50330987,50394723,50394724   
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 A2


(Homo sapiens (Human))
BDBM50394723
PNG
(CHEMBL2165806)
Show SMILES Nc1nc2-c3cc(CN4C5CCC4CC5)ccc3C(=O)c2c(n1)-c1ccccc1
Show InChI InChI=1S/C24H22N4O/c25-24-26-21(15-4-2-1-3-5-15)20-22(27-24)19-12-14(6-11-18(19)23(20)29)13-28-16-7-8-17(28)10-9-16/h1-6,11-12,16-17H,7-10,13H2,(H2,25,26,27)
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3.10n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production


J Med Chem 55: 1402-17 (2012)


Article DOI: 10.1021/jm201640m
BindingDB Entry DOI: 10.7270/Q2CZ388Q
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50317022
PNG
(2-amino-9-(morpholinomethyl)-4-phenyl-5H-indeno[1,...)
Show SMILES Nc1nc2-c3c(cccc3CN3CCOCC3)C(=O)c2c(n1)-c1ccccc1
Show InChI InChI=1S/C22H20N4O2/c23-22-24-19(14-5-2-1-3-6-14)18-20(25-22)17-15(7-4-8-16(17)21(18)27)13-26-9-11-28-12-10-26/h1-8H,9-13H2,(H2,23,24,25)
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3.30n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2864-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.042
BindingDB Entry DOI: 10.7270/Q2GB246H
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316993
PNG
(2-amino-4-(4-fluorophenyl)-9-(pyrrolidin-1-ylmethy...)
Show SMILES Nc1nc2-c3c(cccc3CN3CCCC3)C(=O)c2c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H19FN4O/c23-15-8-6-13(7-9-15)19-18-20(26-22(24)25-19)17-14(12-27-10-1-2-11-27)4-3-5-16(17)21(18)28/h3-9H,1-2,10-12H2,(H2,24,25,26)
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3.60n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2864-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.042
BindingDB Entry DOI: 10.7270/Q2GB246H
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50317023
PNG
(2-amino-4-(4-fluorophenyl)-9-(morpholinomethyl)-5H...)
Show SMILES Nc1nc2-c3c(cccc3CN3CCOCC3)C(=O)c2c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H19FN4O2/c23-15-6-4-13(5-7-15)19-18-20(26-22(24)25-19)17-14(2-1-3-16(17)21(18)28)12-27-8-10-29-11-9-27/h1-7H,8-12H2,(H2,24,25,26)
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3.80n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2864-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.042
BindingDB Entry DOI: 10.7270/Q2GB246H
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50330987
PNG
(2-amino-4-phenyl-8-(pyrrolidin-1-ylmethyl)-5H-inde...)
Show SMILES Nc1nc2-c3cc(CN4CCCC4)ccc3C(=O)c2c(n1)-c1ccccc1
Show InChI InChI=1S/C22H20N4O/c23-22-24-19(15-6-2-1-3-7-15)18-20(25-22)17-12-14(8-9-16(17)21(18)27)13-26-10-4-5-11-26/h1-3,6-9,12H,4-5,10-11,13H2,(H2,23,24,25)
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4.10n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production


J Med Chem 55: 1402-17 (2012)


Article DOI: 10.1021/jm201640m
BindingDB Entry DOI: 10.7270/Q2CZ388Q
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50330987
PNG
(2-amino-4-phenyl-8-(pyrrolidin-1-ylmethyl)-5H-inde...)
Show SMILES Nc1nc2-c3cc(CN4CCCC4)ccc3C(=O)c2c(n1)-c1ccccc1
Show InChI InChI=1S/C22H20N4O/c23-22-24-19(15-6-2-1-3-7-15)18-20(25-22)17-12-14(8-9-16(17)21(18)27)13-26-10-4-5-11-26/h1-3,6-9,12H,4-5,10-11,13H2,(H2,23,24,25)
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4.10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant adenosine receptor A2a by cAMP assay


J Med Chem 57: 3623-50 (2014)


Article DOI: 10.1021/jm4011669
BindingDB Entry DOI: 10.7270/Q28P621J
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50330987
PNG
(2-amino-4-phenyl-8-(pyrrolidin-1-ylmethyl)-5H-inde...)
Show SMILES Nc1nc2-c3cc(CN4CCCC4)ccc3C(=O)c2c(n1)-c1ccccc1
Show InChI InChI=1S/C22H20N4O/c23-22-24-19(15-6-2-1-3-7-15)18-20(25-22)17-12-14(8-9-16(17)21(18)27)13-26-10-4-5-11-26/h1-3,6-9,12H,4-5,10-11,13H2,(H2,23,24,25)
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4.10n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2A receptor


J Med Chem 53: 8104-15 (2010)

Checked by Author
Article DOI: 10.1021/jm100971t
BindingDB Entry DOI: 10.7270/Q2VT1SCG
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50317024
PNG
(3-(2-amino-9-(morpholinomethyl)-5-oxo-5H-indeno[1,...)
Show SMILES Nc1nc2-c3c(cccc3CN3CCOCC3)C(=O)c2c(n1)-c1cccc(c1)C#N
Show InChI InChI=1S/C23H19N5O2/c24-12-14-3-1-4-15(11-14)20-19-21(27-23(25)26-20)18-16(5-2-6-17(18)22(19)29)13-28-7-9-30-10-8-28/h1-6,11H,7-10,13H2,(H2,25,26,27)
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5.40n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2864-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.042
BindingDB Entry DOI: 10.7270/Q2GB246H
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50317020
PNG
(9-((4-acetylpiperazin-1-yl)methyl)-2-amino-4-pheny...)
Show SMILES CC(=O)N1CCN(Cc2cccc3C(=O)c4c(nc(N)nc4-c4ccccc4)-c23)CC1
Show InChI InChI=1S/C24H23N5O2/c1-15(30)29-12-10-28(11-13-29)14-17-8-5-9-18-19(17)22-20(23(18)31)21(26-24(25)27-22)16-6-3-2-4-7-16/h2-9H,10-14H2,1H3,(H2,25,26,27)
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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
Antagonist activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2864-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.042
BindingDB Entry DOI: 10.7270/Q2GB246H
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50317021
PNG
(2-amino-9-(azepan-1-ylmethyl)-4-phenyl-5H-indeno[1...)
Show SMILES Nc1nc2-c3c(cccc3CN3CCCCCC3)C(=O)c2c(n1)-c1ccccc1
Show InChI InChI=1S/C24H24N4O/c25-24-26-21(16-9-4-3-5-10-16)20-22(27-24)19-17(11-8-12-18(19)23(20)29)15-28-13-6-1-2-7-14-28/h3-5,8-12H,1-2,6-7,13-15H2,(H2,25,26,27)
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8.60n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2864-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.042
BindingDB Entry DOI: 10.7270/Q2GB246H
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50317019
PNG
(2-amino-9-((4-methylpiperazin-1-yl)methyl)-4-pheny...)
Show SMILES CN1CCN(Cc2cccc3C(=O)c4c(nc(N)nc4-c4ccccc4)-c23)CC1
Show InChI InChI=1S/C23H23N5O/c1-27-10-12-28(13-11-27)14-16-8-5-9-17-18(16)21-19(22(17)29)20(25-23(24)26-21)15-6-3-2-4-7-15/h2-9H,10-14H2,1H3,(H2,24,25,26)
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11.3n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2864-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.042
BindingDB Entry DOI: 10.7270/Q2GB246H
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316994
PNG
(2-amino-9-((2,5-dimethylpyrrolidin-1-yl)methyl)-4-...)
Show SMILES CC1CCC(C)N1Cc1cccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c12
Show InChI InChI=1S/C24H24N4O/c1-14-11-12-15(2)28(14)13-17-9-6-10-18-19(17)22-20(23(18)29)21(26-24(25)27-22)16-7-4-3-5-8-16/h3-10,14-15H,11-13H2,1-2H3,(H2,25,26,27)
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11.3n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2864-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.042
BindingDB Entry DOI: 10.7270/Q2GB246H
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50394724
PNG
(CHEMBL2165805)
Show SMILES CC1CC[C@@H](C)N1Cc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
Show InChI InChI=1S/C24H24N4O/c1-14-8-9-15(2)28(14)13-16-10-11-18-19(12-16)22-20(23(18)29)21(26-24(25)27-22)17-6-4-3-5-7-17/h3-7,10-12,14-15H,8-9,13H2,1-2H3,(H2,25,26,27)/t14-,15?/m1/s1
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13.1n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production


J Med Chem 55: 1402-17 (2012)


Article DOI: 10.1021/jm201640m
BindingDB Entry DOI: 10.7270/Q2CZ388Q
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50317018
PNG
(2-amino-4-phenyl-9-(piperidin-1-ylmethyl)-5H-inden...)
Show SMILES Nc1nc2-c3c(cccc3CN3CCCCC3)C(=O)c2c(n1)-c1ccccc1
Show InChI InChI=1S/C23H22N4O/c24-23-25-20(15-8-3-1-4-9-15)19-21(26-23)18-16(10-7-11-17(18)22(19)28)14-27-12-5-2-6-13-27/h1,3-4,7-11H,2,5-6,12-14H2,(H2,24,25,26)
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14.3n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2864-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.042
BindingDB Entry DOI: 10.7270/Q2GB246H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50330987
PNG
(2-amino-4-phenyl-8-(pyrrolidin-1-ylmethyl)-5H-inde...)
Show SMILES Nc1nc2-c3cc(CN4CCCC4)ccc3C(=O)c2c(n1)-c1ccccc1
Show InChI InChI=1S/C22H20N4O/c23-22-24-19(15-6-2-1-3-7-15)18-20(25-22)17-12-14(8-9-16(17)21(18)27)13-26-10-4-5-11-26/h1-3,6-9,12H,4-5,10-11,13H2,(H2,23,24,25)
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17n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant adenosine A1 receptor by cAMP assay


J Med Chem 57: 3623-50 (2014)


Article DOI: 10.1021/jm4011669
BindingDB Entry DOI: 10.7270/Q28P621J
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50330987
PNG
(2-amino-4-phenyl-8-(pyrrolidin-1-ylmethyl)-5H-inde...)
Show SMILES Nc1nc2-c3cc(CN4CCCC4)ccc3C(=O)c2c(n1)-c1ccccc1
Show InChI InChI=1S/C22H20N4O/c23-22-24-19(15-6-2-1-3-7-15)18-20(25-22)17-12-14(8-9-16(17)21(18)27)13-26-10-4-5-11-26/h1-3,6-9,12H,4-5,10-11,13H2,(H2,23,24,25)
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17n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at human Adenosine receptor A1 assessed as inhibition of cAMP production


J Med Chem 55: 1402-17 (2012)


Article DOI: 10.1021/jm201640m
BindingDB Entry DOI: 10.7270/Q2CZ388Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50330987
PNG
(2-amino-4-phenyl-8-(pyrrolidin-1-ylmethyl)-5H-inde...)
Show SMILES Nc1nc2-c3cc(CN4CCCC4)ccc3C(=O)c2c(n1)-c1ccccc1
Show InChI InChI=1S/C22H20N4O/c23-22-24-19(15-6-2-1-3-7-15)18-20(25-22)17-12-14(8-9-16(17)21(18)27)13-26-10-4-5-11-26/h1-3,6-9,12H,4-5,10-11,13H2,(H2,23,24,25)
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17n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A1 receptor


J Med Chem 53: 8104-15 (2010)

Checked by Author
Article DOI: 10.1021/jm100971t
BindingDB Entry DOI: 10.7270/Q2VT1SCG
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50317017
PNG
(2-amino-9-((diethylamino)methyl)-4-phenyl-5H-inden...)
Show SMILES CCN(CC)Cc1cccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c12
Show InChI InChI=1S/C22H22N4O/c1-3-26(4-2)13-15-11-8-12-16-17(15)20-18(21(16)27)19(24-22(23)25-20)14-9-6-5-7-10-14/h5-12H,3-4,13H2,1-2H3,(H2,23,24,25)
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18.3n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2864-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.042
BindingDB Entry DOI: 10.7270/Q2GB246H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50317022
PNG
(2-amino-9-(morpholinomethyl)-4-phenyl-5H-indeno[1,...)
Show SMILES Nc1nc2-c3c(cccc3CN3CCOCC3)C(=O)c2c(n1)-c1ccccc1
Show InChI InChI=1S/C22H20N4O2/c23-22-24-19(14-5-2-1-3-6-14)18-20(25-22)17-15(7-4-8-16(17)21(18)27)13-26-9-11-28-12-10-26/h1-8H,9-13H2,(H2,23,24,25)
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32.9n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A1 receptor


Bioorg Med Chem Lett 20: 2864-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.042
BindingDB Entry DOI: 10.7270/Q2GB246H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50317020
PNG
(9-((4-acetylpiperazin-1-yl)methyl)-2-amino-4-pheny...)
Show SMILES CC(=O)N1CCN(Cc2cccc3C(=O)c4c(nc(N)nc4-c4ccccc4)-c23)CC1
Show InChI InChI=1S/C24H23N5O2/c1-15(30)29-12-10-28(11-13-29)14-17-8-5-9-18-19(17)22-20(23(18)31)21(26-24(25)27-22)16-6-3-2-4-7-16/h2-9H,10-14H2,1H3,(H2,25,26,27)
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34.1n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A1 receptor


Bioorg Med Chem Lett 20: 2864-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.042
BindingDB Entry DOI: 10.7270/Q2GB246H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50394724
PNG
(CHEMBL2165805)
Show SMILES CC1CC[C@@H](C)N1Cc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
Show InChI InChI=1S/C24H24N4O/c1-14-8-9-15(2)28(14)13-16-10-11-18-19(12-16)22-20(23(18)29)21(26-24(25)27-22)17-6-4-3-5-7-17/h3-7,10-12,14-15H,8-9,13H2,1-2H3,(H2,25,26,27)/t14-,15?/m1/s1
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37.3n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at human Adenosine receptor A1 assessed as inhibition of cAMP production


J Med Chem 55: 1402-17 (2012)


Article DOI: 10.1021/jm201640m
BindingDB Entry DOI: 10.7270/Q2CZ388Q
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50317016
PNG
(2-amino-9-(((2-(dimethylamino)ethyl)(methyl)amino)...)
Show SMILES CN(C)CCN(C)Cc1cccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c12
Show InChI InChI=1S/C23H25N5O/c1-27(2)12-13-28(3)14-16-10-7-11-17-18(16)21-19(22(17)29)20(25-23(24)26-21)15-8-5-4-6-9-15/h4-11H,12-14H2,1-3H3,(H2,24,25,26)
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40.1n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2864-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.042
BindingDB Entry DOI: 10.7270/Q2GB246H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50317018
PNG
(2-amino-4-phenyl-9-(piperidin-1-ylmethyl)-5H-inden...)
Show SMILES Nc1nc2-c3c(cccc3CN3CCCCC3)C(=O)c2c(n1)-c1ccccc1
Show InChI InChI=1S/C23H22N4O/c24-23-25-20(15-8-3-1-4-9-15)19-21(26-23)18-16(10-7-11-17(18)22(19)28)14-27-12-5-2-6-13-27/h1,3-4,7-11H,2,5-6,12-14H2,(H2,24,25,26)
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40.8n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A1 receptor


Bioorg Med Chem Lett 20: 2864-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.042
BindingDB Entry DOI: 10.7270/Q2GB246H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50317024
PNG
(3-(2-amino-9-(morpholinomethyl)-5-oxo-5H-indeno[1,...)
Show SMILES Nc1nc2-c3c(cccc3CN3CCOCC3)C(=O)c2c(n1)-c1cccc(c1)C#N
Show InChI InChI=1S/C23H19N5O2/c24-12-14-3-1-4-15(11-14)20-19-21(27-23(25)26-20)18-16(5-2-6-17(18)22(19)29)13-28-7-9-30-10-8-28/h1-6,11H,7-10,13H2,(H2,25,26,27)
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75n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A1 receptor


Bioorg Med Chem Lett 20: 2864-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.042
BindingDB Entry DOI: 10.7270/Q2GB246H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50316993
PNG
(2-amino-4-(4-fluorophenyl)-9-(pyrrolidin-1-ylmethy...)
Show SMILES Nc1nc2-c3c(cccc3CN3CCCC3)C(=O)c2c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H19FN4O/c23-15-8-6-13(7-9-15)19-18-20(26-22(24)25-19)17-14(12-27-10-1-2-11-27)4-3-5-16(17)21(18)28/h3-9H,1-2,10-12H2,(H2,24,25,26)
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85n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A1 receptor


Bioorg Med Chem Lett 20: 2864-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.042
BindingDB Entry DOI: 10.7270/Q2GB246H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50317019
PNG
(2-amino-9-((4-methylpiperazin-1-yl)methyl)-4-pheny...)
Show SMILES CN1CCN(Cc2cccc3C(=O)c4c(nc(N)nc4-c4ccccc4)-c23)CC1
Show InChI InChI=1S/C23H23N5O/c1-27-10-12-28(13-11-27)14-16-8-5-9-17-18(16)21-19(22(17)29)20(25-23(24)26-21)15-6-3-2-4-7-15/h2-9H,10-14H2,1H3,(H2,24,25,26)
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94.2n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A1 receptor


Bioorg Med Chem Lett 20: 2864-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.042
BindingDB Entry DOI: 10.7270/Q2GB246H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50317021
PNG
(2-amino-9-(azepan-1-ylmethyl)-4-phenyl-5H-indeno[1...)
Show SMILES Nc1nc2-c3c(cccc3CN3CCCCCC3)C(=O)c2c(n1)-c1ccccc1
Show InChI InChI=1S/C24H24N4O/c25-24-26-21(16-9-4-3-5-10-16)20-22(27-24)19-17(11-8-12-18(19)23(20)29)15-28-13-6-1-2-7-14-28/h3-5,8-12H,1-2,6-7,13-15H2,(H2,25,26,27)
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95.2n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A1 receptor


Bioorg Med Chem Lett 20: 2864-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.042
BindingDB Entry DOI: 10.7270/Q2GB246H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50317017
PNG
(2-amino-9-((diethylamino)methyl)-4-phenyl-5H-inden...)
Show SMILES CCN(CC)Cc1cccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c12
Show InChI InChI=1S/C22H22N4O/c1-3-26(4-2)13-15-11-8-12-16-17(15)20-18(21(16)27)19(24-22(23)25-20)14-9-6-5-7-10-14/h5-12H,3-4,13H2,1-2H3,(H2,23,24,25)
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107n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A1 receptor


Bioorg Med Chem Lett 20: 2864-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.042
BindingDB Entry DOI: 10.7270/Q2GB246H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50317016
PNG
(2-amino-9-(((2-(dimethylamino)ethyl)(methyl)amino)...)
Show SMILES CN(C)CCN(C)Cc1cccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c12
Show InChI InChI=1S/C23H25N5O/c1-27(2)12-13-28(3)14-16-10-7-11-17-18(16)21-19(22(17)29)20(25-23(24)26-21)15-8-5-4-6-9-15/h4-11H,12-14H2,1-3H3,(H2,24,25,26)
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119n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A1 receptor


Bioorg Med Chem Lett 20: 2864-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.042
BindingDB Entry DOI: 10.7270/Q2GB246H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50316994
PNG
(2-amino-9-((2,5-dimethylpyrrolidin-1-yl)methyl)-4-...)
Show SMILES CC1CCC(C)N1Cc1cccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c12
Show InChI InChI=1S/C24H24N4O/c1-14-11-12-15(2)28(14)13-17-9-6-10-18-19(17)22-20(23(18)29)21(26-24(25)27-22)16-7-4-3-5-8-16/h3-10,14-15H,11-13H2,1-2H3,(H2,25,26,27)
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140n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A1 receptor


Bioorg Med Chem Lett 20: 2864-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.042
BindingDB Entry DOI: 10.7270/Q2GB246H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50317023
PNG
(2-amino-4-(4-fluorophenyl)-9-(morpholinomethyl)-5H...)
Show SMILES Nc1nc2-c3c(cccc3CN3CCOCC3)C(=O)c2c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H19FN4O2/c23-15-6-4-13(5-7-15)19-18-20(26-22(24)25-19)17-14(2-1-3-16(17)21(18)28)12-27-8-10-29-11-9-27/h1-7H,8-12H2,(H2,24,25,26)
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155n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A1 receptor


Bioorg Med Chem Lett 20: 2864-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.042
BindingDB Entry DOI: 10.7270/Q2GB246H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50394723
PNG
(CHEMBL2165806)
Show SMILES Nc1nc2-c3cc(CN4C5CCC4CC5)ccc3C(=O)c2c(n1)-c1ccccc1
Show InChI InChI=1S/C24H22N4O/c25-24-26-21(15-4-2-1-3-5-15)20-22(27-24)19-12-14(6-11-18(19)23(20)29)13-28-16-7-8-17(28)10-9-16/h1-6,11-12,16-17H,7-10,13H2,(H2,25,26,27)
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223n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at human Adenosine receptor A1 assessed as inhibition of cAMP production


J Med Chem 55: 1402-17 (2012)


Article DOI: 10.1021/jm201640m
BindingDB Entry DOI: 10.7270/Q2CZ388Q
More data for this
Ligand-Target Pair