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Compile Data Set for Download or QSAR

Found 250 hits from Dipartimento di Scienze Farmaceutiche   
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 A2a


(Homo sapiens (human))
BDBM50094037
PNG
(2-Furan-2-yl-7-[3-(4-methoxy-phenyl)-propyl]-7H-py...)
Show SMILES COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Show InChI InChI=1S/C20H19N7O2/c1-28-14-8-6-13(7-9-14)4-2-10-26-18-15(12-22-26)19-23-17(16-5-3-11-29-16)25-27(19)20(21)24-18/h3,5-9,11-12H,2,4,10H2,1H3,(H2,21,24)
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>0.0480n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2a receptor


Bioorg Med Chem 18: 7890-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50039951
PNG
(2-(4-Methoxy-phenyl)-5H-[1,2,4]triazolo[1,5-a]quin...)
Show SMILES COc1ccc(cc1)-c1nc2n(n1)c1ccccc1[nH]c2=O
Show InChI InChI=1S/C16H12N4O2/c1-22-11-8-6-10(7-9-11)14-18-15-16(21)17-12-4-2-3-5-13(12)20(15)19-14/h2-9H,1H3,(H,17,21)
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2.10n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A3 receptor


Bioorg Med Chem 18: 7890-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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3.20n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A1 receptor


Bioorg Med Chem 18: 7890-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50330632
PNG
(3-Benzyl-9-phenyl-1-pyridin-4-yl-pyrazolo[1',5':1,...)
Show SMILES O=c1n(Cc2ccccc2)nc(-c2ccncc2)c2c3cc(nn3cnc12)-c1ccccc1
Show InChI InChI=1S/C26H18N6O/c33-26-25-23(22-15-21(29-32(22)17-28-25)19-9-5-2-6-10-19)24(20-11-13-27-14-12-20)30-31(26)16-18-7-3-1-4-8-18/h1-15,17H,16H2
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10n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A1 receptor


Bioorg Med Chem 18: 7890-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50330631
PNG
(3-Benzyl-9-phenyl-1-pyridin-3-yl-pyrazolo[1',5':1,...)
Show SMILES O=c1n(Cc2ccccc2)nc(-c2cccnc2)c2c3cc(nn3cnc12)-c1ccccc1
Show InChI InChI=1S/C26H18N6O/c33-26-25-23(22-14-21(29-32(22)17-28-25)19-10-5-2-6-11-19)24(20-12-7-13-27-15-20)30-31(26)16-18-8-3-1-4-9-18/h1-15,17H,16H2
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11n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A1 receptor


Bioorg Med Chem 18: 7890-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50085658
PNG
((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1
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15.1n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A1 receptor expressed in CHO cells


J Med Chem 51: 5875-9 (2008)


Article DOI: 10.1021/jm800586p
BindingDB Entry DOI: 10.7270/Q2PG1RJ9
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50102282
PNG
(3,10-Diphenyl-10H-benzo[4,5]imidazo[2,1-c][1,2,4]t...)
Show SMILES O=c1c(nnc2n(-c3ccccc3)c3ccccc3n12)-c1ccccc1
Show InChI InChI=1S/C21H14N4O/c26-20-19(15-9-3-1-4-10-15)22-23-21-24(16-11-5-2-6-12-16)17-13-7-8-14-18(17)25(20)21/h1-14H
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18n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Binding affinity to bovine adenosine A1 receptor


Bioorg Med Chem 18: 7890-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50133368
PNG
(CHEMBL335950 | N-(2-(furan-2-yl)-8-(3-phenylpropyl...)
Show SMILES O=C(Cc1cccc2ccccc12)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C31H25N7O2/c39-27(19-23-14-6-13-22-12-4-5-15-24(22)23)32-31-34-28-25(30-33-29(36-38(30)31)26-16-8-18-40-26)20-37(35-28)17-7-11-21-9-2-1-3-10-21/h1-6,8-10,12-16,18,20H,7,11,17,19H2,(H,32,34,35,39)
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20n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2b receptor


Bioorg Med Chem 18: 7890-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50330628
PNG
(3-Benzyl-9-phenyl-6-n-propyl-1-pyridin-4-yl-pyrazo...)
Show SMILES CCCc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2ccncc2)c2cc(nn12)-c1ccccc1
Show InChI InChI=1S/C29H24N6O/c1-2-9-25-31-28-26(24-18-23(32-35(24)25)21-12-7-4-8-13-21)27(22-14-16-30-17-15-22)33-34(29(28)36)19-20-10-5-3-6-11-20/h3-8,10-18H,2,9,19H2,1H3
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28n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A1 receptor


Bioorg Med Chem 18: 7890-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50171770
PNG
(7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-ca...)
Show SMILES Cc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C17H15N3O2/c1-11-7-8-13-15(21)14(10-18-16(13)20-11)17(22)19-9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,19,22)(H,18,20,21)
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30n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS-21,680 binding to adenosine A2a receptor of human striatal membrane


Bioorg Med Chem Lett 15: 4604-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.064
BindingDB Entry DOI: 10.7270/Q2QV3M1S
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50171759
PNG
(7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-ca...)
Show SMILES Cc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccco1
Show InChI InChI=1S/C15H13N3O3/c1-9-4-5-11-13(19)12(8-16-14(11)18-9)15(20)17-7-10-3-2-6-21-10/h2-6,8H,7H2,1H3,(H,17,20)(H,16,18,19)
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35n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS-21,680 binding to adenosine A2a receptor of human striatal membrane


Bioorg Med Chem Lett 15: 4604-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.064
BindingDB Entry DOI: 10.7270/Q2QV3M1S
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50330630
PNG
(3-Benzyl-6-methyl-9-phenyl-1-pyridin-4-yl-pyrazolo...)
Show SMILES Cc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2ccncc2)c2cc(nn12)-c1ccccc1
Show InChI InChI=1S/C27H20N6O/c1-18-29-26-24(23-16-22(30-33(18)23)20-10-6-3-7-11-20)25(21-12-14-28-15-13-21)31-32(27(26)34)17-19-8-4-2-5-9-19/h2-16H,17H2,1H3
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44n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A1 receptor


Bioorg Med Chem 18: 7890-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50171759
PNG
(7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-ca...)
Show SMILES Cc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccco1
Show InChI InChI=1S/C15H13N3O3/c1-9-4-5-11-13(19)12(8-16-14(11)18-9)15(20)17-7-10-3-2-6-21-10/h2-6,8H,7H2,1H3,(H,17,20)(H,16,18,19)
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45n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS-21,680 binding to adenosine A2a receptor of bovine striatal membrane


Bioorg Med Chem Lett 15: 4604-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.064
BindingDB Entry DOI: 10.7270/Q2QV3M1S
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50330626
PNG
(3-Benzyl-6-methyl-9-phenyl-1-pyridin-3-yl-pyrazolo...)
Show SMILES Cc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2cccnc2)c2cc(nn12)-c1ccccc1
Show InChI InChI=1S/C27H20N6O/c1-18-29-26-24(23-15-22(30-33(18)23)20-11-6-3-7-12-20)25(21-13-8-14-28-16-21)31-32(27(26)34)17-19-9-4-2-5-10-19/h2-16H,17H2,1H3
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47n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A1 receptor


Bioorg Med Chem 18: 7890-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50171770
PNG
(7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-ca...)
Show SMILES Cc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C17H15N3O2/c1-11-7-8-13-15(21)14(10-18-16(13)20-11)17(22)19-9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,19,22)(H,18,20,21)
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50n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS-21,680 binding to adenosine A2a receptor of bovine striatal membrane


Bioorg Med Chem Lett 15: 4604-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.064
BindingDB Entry DOI: 10.7270/Q2QV3M1S
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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51n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A2b receptor expressed in HEK293 cells after 30 mins


Bioorg Med Chem 18: 7890-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50171782
PNG
(7-Dimethylamino-4-oxo-1,4-dihydro-[1,8]naphthyridi...)
Show SMILES CN(C)c1ccc2c(O)c(cnc2n1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C18H18N4O2/c1-22(2)15-9-8-13-16(23)14(11-19-17(13)21-15)18(24)20-10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,20,24)(H,19,21,23)
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57n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS-21,680 binding to adenosine A2a receptor of bovine striatal membrane


Bioorg Med Chem Lett 15: 4604-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.064
BindingDB Entry DOI: 10.7270/Q2QV3M1S
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50171779
PNG
(7-Chloro-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-ca...)
Show SMILES Oc1c(cnc2nc(Cl)ccc12)C(=O)NCc1ccccc1
Show InChI InChI=1S/C16H12ClN3O2/c17-13-7-6-11-14(21)12(9-18-15(11)20-13)16(22)19-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,19,22)(H,18,20,21)
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67n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS-21,680 binding to adenosine A2a receptor of bovine striatal membrane


Bioorg Med Chem Lett 15: 4604-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.064
BindingDB Entry DOI: 10.7270/Q2QV3M1S
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50330632
PNG
(3-Benzyl-9-phenyl-1-pyridin-4-yl-pyrazolo[1',5':1,...)
Show SMILES O=c1n(Cc2ccccc2)nc(-c2ccncc2)c2c3cc(nn3cnc12)-c1ccccc1
Show InChI InChI=1S/C26H18N6O/c33-26-25-23(22-15-21(29-32(22)17-28-25)19-9-5-2-6-10-19)24(20-11-13-27-14-12-20)30-31(26)16-18-7-3-1-4-8-18/h1-15,17H,16H2
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68n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2a receptor


Bioorg Med Chem 18: 7890-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50330629
PNG
(3-Benzyl-6-ethyl-9-phenyl-1-pyridin-4-yl-pyrazolo[...)
Show SMILES CCc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2ccncc2)c2cc(nn12)-c1ccccc1
Show InChI InChI=1S/C28H22N6O/c1-2-24-30-27-25(23-17-22(31-34(23)24)20-11-7-4-8-12-20)26(21-13-15-29-16-14-21)32-33(28(27)35)18-19-9-5-3-6-10-19/h3-17H,2,18H2,1H3
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72n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A1 receptor


Bioorg Med Chem 18: 7890-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50330623
PNG
(3-Benzyl-1-methyl-9-thiophen-3-yl-pyrazolo[1',5':1...)
Show SMILES Cc1nn(Cc2ccccc2)c(=O)c2ncn3nc(cc3c12)-c1ccsc1
Show InChI InChI=1S/C20H15N5OS/c1-13-18-17-9-16(15-7-8-27-11-15)23-25(17)12-21-19(18)20(26)24(22-13)10-14-5-3-2-4-6-14/h2-9,11-12H,10H2,1H3
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85n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A1 receptor


Bioorg Med Chem 18: 7890-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50330638
PNG
(3-Benzyl-1-(3-fluorophenyl)-9-phenylpyrazolo[1',5'...)
Show SMILES Fc1cccc(c1)-c1nn(Cc2ccccc2)c(=O)c2ncn3nc(cc3c12)-c1ccccc1
Show InChI InChI=1S/C27H18FN5O/c28-21-13-7-12-20(14-21)25-24-23-15-22(19-10-5-2-6-11-19)30-33(23)17-29-26(24)27(34)32(31-25)16-18-8-3-1-4-9-18/h1-15,17H,16H2
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93n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A1 receptor


Bioorg Med Chem 18: 7890-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50171784
PNG
(7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-ca...)
Show SMILES Cc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C17H14N4O4/c1-10-2-7-13-15(22)14(9-18-16(13)20-10)17(23)19-8-11-3-5-12(6-4-11)21(24)25/h2-7,9H,8H2,1H3,(H,19,23)(H,18,20,22)
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99n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS-21,680 binding to adenosine A2a receptor of bovine striatal membrane


Bioorg Med Chem Lett 15: 4604-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.064
BindingDB Entry DOI: 10.7270/Q2QV3M1S
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50193584
PNG
(3-benzyl-1-methyl-9-phenylpyrazolo[1',5':1,6]pyrim...)
Show SMILES Cc1nn(Cc2ccccc2)c(=O)c2ncn3nc(cc3c12)-c1ccccc1
Show InChI InChI=1S/C22H17N5O/c1-15-20-19-12-18(17-10-6-3-7-11-17)25-27(19)14-23-21(20)22(28)26(24-15)13-16-8-4-2-5-9-16/h2-12,14H,13H2,1H3
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104n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A1 receptor


Bioorg Med Chem 18: 7890-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50171751
PNG
(7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-ca...)
Show SMILES Cc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C17H14FN3O2/c1-10-2-7-13-15(22)14(9-19-16(13)21-10)17(23)20-8-11-3-5-12(18)6-4-11/h2-7,9H,8H2,1H3,(H,20,23)(H,19,21,22)
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115n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS-21,680 binding to adenosine A2a receptor of human striatal membrane


Bioorg Med Chem Lett 15: 4604-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.064
BindingDB Entry DOI: 10.7270/Q2QV3M1S
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50171755
PNG
(7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-ca...)
Show SMILES CC(NC(=O)c1cnc2nc(C)ccc2c1O)c1ccccc1
Show InChI InChI=1S/C18H17N3O2/c1-11-8-9-14-16(22)15(10-19-17(14)20-11)18(23)21-12(2)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,21,23)(H,19,20,22)
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115n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS-21,680 binding to adenosine A2a receptor of human striatal membrane


Bioorg Med Chem Lett 15: 4604-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.064
BindingDB Entry DOI: 10.7270/Q2QV3M1S
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50171755
PNG
(7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-ca...)
Show SMILES CC(NC(=O)c1cnc2nc(C)ccc2c1O)c1ccccc1
Show InChI InChI=1S/C18H17N3O2/c1-11-8-9-14-16(22)15(10-19-17(14)20-11)18(23)21-12(2)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,21,23)(H,19,20,22)
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120n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS-21,680 binding to adenosine A2a receptor of bovine striatal membrane


Bioorg Med Chem Lett 15: 4604-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.064
BindingDB Entry DOI: 10.7270/Q2QV3M1S
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50171782
PNG
(7-Dimethylamino-4-oxo-1,4-dihydro-[1,8]naphthyridi...)
Show SMILES CN(C)c1ccc2c(O)c(cnc2n1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C18H18N4O2/c1-22(2)15-9-8-13-16(23)14(11-19-17(13)21-15)18(24)20-10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,20,24)(H,19,21,23)
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122n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CHA binding to adenosine A1 receptor of bovine brain cortical membrane


Bioorg Med Chem Lett 15: 4604-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.064
BindingDB Entry DOI: 10.7270/Q2QV3M1S
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50330639
PNG
(3-Benzyl-1-(4-fluorophenyl)-9-thiophen-3-yl-pyrazo...)
Show SMILES Fc1ccc(cc1)-c1nn(Cc2ccccc2)c(=O)c2ncn3nc(cc3c12)-c1ccsc1
Show InChI InChI=1S/C25H16FN5OS/c26-19-8-6-17(7-9-19)23-22-21-12-20(18-10-11-33-14-18)28-31(21)15-27-24(22)25(32)30(29-23)13-16-4-2-1-3-5-16/h1-12,14-15H,13H2
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123n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A1 receptor


Bioorg Med Chem 18: 7890-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50171753
PNG
(7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-ca...)
Show SMILES Cc1ccc2c(O)c(cnc2n1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C18H17N3O2/c1-12-7-8-14-16(22)15(11-20-17(14)21-12)18(23)19-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,19,23)(H,20,21,22)
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140n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS-21,680 binding to adenosine A2a receptor of bovine striatal membrane


Bioorg Med Chem Lett 15: 4604-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.064
BindingDB Entry DOI: 10.7270/Q2QV3M1S
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50171764
PNG
(7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-ca...)
Show SMILES Cc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccc(N)cc1
Show InChI InChI=1S/C17H16N4O2/c1-10-2-7-13-15(22)14(9-19-16(13)21-10)17(23)20-8-11-3-5-12(18)6-4-11/h2-7,9H,8,18H2,1H3,(H,20,23)(H,19,21,22)
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146n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS-21,680 binding to adenosine A2a receptor of bovine striatal membrane


Bioorg Med Chem Lett 15: 4604-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.064
BindingDB Entry DOI: 10.7270/Q2QV3M1S
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50171783
PNG
(7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-ca...)
Show SMILES Cc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C17H14ClN3O2/c1-10-2-7-13-15(22)14(9-19-16(13)21-10)17(23)20-8-11-3-5-12(18)6-4-11/h2-7,9H,8H2,1H3,(H,20,23)(H,19,21,22)
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150n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS-21,680 binding to adenosine A2a receptor of human striatal membrane


Bioorg Med Chem Lett 15: 4604-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.064
BindingDB Entry DOI: 10.7270/Q2QV3M1S
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50171753
PNG
(7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-ca...)
Show SMILES Cc1ccc2c(O)c(cnc2n1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C18H17N3O2/c1-12-7-8-14-16(22)15(11-20-17(14)21-12)18(23)19-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,19,23)(H,20,21,22)
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150n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS-21,680 binding to adenosine A2a receptor of human striatal membrane


Bioorg Med Chem Lett 15: 4604-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.064
BindingDB Entry DOI: 10.7270/Q2QV3M1S
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50171766
PNG
(7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-ca...)
Show SMILES Cc1ccc(CNC(=O)c2cnc3nc(C)ccc3c2O)cc1
Show InChI InChI=1S/C18H17N3O2/c1-11-3-6-13(7-4-11)9-20-18(23)15-10-19-17-14(16(15)22)8-5-12(2)21-17/h3-8,10H,9H2,1-2H3,(H,20,23)(H,19,21,22)
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159n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS-21,680 binding to adenosine A2a receptor of human striatal membrane


Bioorg Med Chem Lett 15: 4604-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.064
BindingDB Entry DOI: 10.7270/Q2QV3M1S
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50171769
PNG
(7-Amino-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-car...)
Show SMILES Nc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C16H14N4O2/c17-13-7-6-11-14(21)12(9-18-15(11)20-13)16(22)19-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,19,22)(H3,17,18,20,21)
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160n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS-21,680 binding to adenosine A2a receptor of human striatal membrane


Bioorg Med Chem Lett 15: 4604-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.064
BindingDB Entry DOI: 10.7270/Q2QV3M1S
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50330625
PNG
(3-Benzyl-6-ethyl-9-phenyl-1-pyridin-3-yl-pyrazolo[...)
Show SMILES CCc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2cccnc2)c2cc(nn12)-c1ccccc1
Show InChI InChI=1S/C28H22N6O/c1-2-24-30-27-25(23-16-22(31-34(23)24)20-12-7-4-8-13-20)26(21-14-9-15-29-17-21)32-33(28(27)35)18-19-10-5-3-6-11-19/h3-17H,2,18H2,1H3
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180n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A1 receptor


Bioorg Med Chem 18: 7890-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50171766
PNG
(7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-ca...)
Show SMILES Cc1ccc(CNC(=O)c2cnc3nc(C)ccc3c2O)cc1
Show InChI InChI=1S/C18H17N3O2/c1-11-3-6-13(7-4-11)9-20-18(23)15-10-19-17-14(16(15)22)8-5-12(2)21-17/h3-8,10H,9H2,1-2H3,(H,20,23)(H,19,21,22)
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185n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS-21,680 binding to adenosine A2a receptor of bovine striatal membrane


Bioorg Med Chem Lett 15: 4604-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.064
BindingDB Entry DOI: 10.7270/Q2QV3M1S
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50330637
PNG
(3-Benzyl-1-(3-fluorophenyl)-9-thiophen-3-yl-pyrazo...)
Show SMILES Fc1cccc(c1)-c1nn(Cc2ccccc2)c(=O)c2ncn3nc(cc3c12)-c1ccsc1
Show InChI InChI=1S/C25H16FN5OS/c26-19-8-4-7-17(11-19)23-22-21-12-20(18-9-10-33-14-18)28-31(21)15-27-24(22)25(32)30(29-23)13-16-5-2-1-3-6-16/h1-12,14-15H,13H2
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189n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A1 receptor


Bioorg Med Chem 18: 7890-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50330627
PNG
(3-Benzyl-6-isopropyl-9-phenyl-1-pyridin-4-yl-pyraz...)
Show SMILES CC(C)c1nc2c(c(nn(Cc3ccccc3)c2=O)-c2ccncc2)c2cc(nn12)-c1ccccc1
Show InChI InChI=1S/C29H24N6O/c1-19(2)28-31-27-25(24-17-23(32-35(24)28)21-11-7-4-8-12-21)26(22-13-15-30-16-14-22)33-34(29(27)36)18-20-9-5-3-6-10-20/h3-17,19H,18H2,1-2H3
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192n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A1 receptor


Bioorg Med Chem 18: 7890-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50171751
PNG
(7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-ca...)
Show SMILES Cc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C17H14FN3O2/c1-10-2-7-13-15(22)14(9-19-16(13)21-10)17(23)20-8-11-3-5-12(18)6-4-11/h2-7,9H,8H2,1H3,(H,20,23)(H,19,21,22)
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200n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS-21,680 binding to adenosine A2a receptor of bovine striatal membrane


Bioorg Med Chem Lett 15: 4604-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.064
BindingDB Entry DOI: 10.7270/Q2QV3M1S
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50171783
PNG
(7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-ca...)
Show SMILES Cc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C17H14ClN3O2/c1-10-2-7-13-15(22)14(9-19-16(13)21-10)17(23)20-8-11-3-5-12(18)6-4-11/h2-7,9H,8H2,1H3,(H,20,23)(H,19,21,22)
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210n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS-21,680 binding to adenosine A2a receptor of bovine striatal membrane


Bioorg Med Chem Lett 15: 4604-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.064
BindingDB Entry DOI: 10.7270/Q2QV3M1S
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50171762
PNG
((3-Benzyl-7-methyl-[1,8]naphthyridin-4-yl)-hydrazi...)
Show SMILES Cc1ccc2c(NN)c(Cc3ccccc3)cnc2n1
Show InChI InChI=1S/C16H16N4/c1-11-7-8-14-15(20-17)13(10-18-16(14)19-11)9-12-5-3-2-4-6-12/h2-8,10H,9,17H2,1H3,(H,18,19,20)
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220n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CHA binding to adenosine A1 receptor of bovine brain cortical membrane


Bioorg Med Chem Lett 15: 4604-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.064
BindingDB Entry DOI: 10.7270/Q2QV3M1S
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50330640
PNG
(3-Benzyl-1-(4-fluorophenyl)-9-phenylpyrazolo[1',5'...)
Show SMILES Fc1ccc(cc1)-c1nn(Cc2ccccc2)c(=O)c2ncn3nc(cc3c12)-c1ccccc1
Show InChI InChI=1S/C27H18FN5O/c28-21-13-11-20(12-14-21)25-24-23-15-22(19-9-5-2-6-10-19)30-33(23)17-29-26(24)27(34)32(31-25)16-18-7-3-1-4-8-18/h1-15,17H,16H2
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252n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A1 receptor


Bioorg Med Chem 18: 7890-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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260n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2a receptor


Bioorg Med Chem 18: 7890-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50330624
PNG
(3-Benzyl-6-methyl-9-phenyl-1-pyridin-4-ylpyrazolo[...)
Show SMILES Cc1nc2c(c(nn(Cc3ccccc3)c2=S)-c2ccncc2)c2cc(nn12)-c1ccccc1
Show InChI InChI=1S/C27H20N6S/c1-18-29-26-24(23-16-22(30-33(18)23)20-10-6-3-7-11-20)25(21-12-14-28-15-13-21)31-32(27(26)34)17-19-8-4-2-5-9-19/h2-16H,17H2,1H3
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267n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A1 receptor


Bioorg Med Chem 18: 7890-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50171770
PNG
(7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-ca...)
Show SMILES Cc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C17H15N3O2/c1-11-7-8-13-15(21)14(10-18-16(13)20-11)17(22)19-9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,19,22)(H,18,20,21)
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280n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CHA binding to adenosine A1 receptor of bovine brain cortical membrane


Bioorg Med Chem Lett 15: 4604-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.064
BindingDB Entry DOI: 10.7270/Q2QV3M1S
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50171759
PNG
(7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-ca...)
Show SMILES Cc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccco1
Show InChI InChI=1S/C15H13N3O3/c1-9-4-5-11-13(19)12(8-16-14(11)18-9)15(20)17-7-10-3-2-6-21-10/h2-6,8H,7H2,1H3,(H,17,20)(H,16,18,19)
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300n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CHA binding to adenosine A1 receptor of human brain cortical membrane


Bioorg Med Chem Lett 15: 4604-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.064
BindingDB Entry DOI: 10.7270/Q2QV3M1S
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50171769
PNG
(7-Amino-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-car...)
Show SMILES Nc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C16H14N4O2/c17-13-7-6-11-14(21)12(9-18-15(11)20-13)16(22)19-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,19,22)(H3,17,18,20,21)
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300n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS-21,680 binding to adenosine A2a receptor of bovine striatal membrane


Bioorg Med Chem Lett 15: 4604-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.064
BindingDB Entry DOI: 10.7270/Q2QV3M1S
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Bos taurus)
BDBM50133368
PNG
(CHEMBL335950 | N-(2-(furan-2-yl)-8-(3-phenylpropyl...)
Show SMILES O=C(Cc1cccc2ccccc12)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C31H25N7O2/c39-27(19-23-14-6-13-22-12-4-5-15-24(22)23)32-31-34-28-25(30-33-29(36-38(30)31)26-16-8-18-40-26)20-37(35-28)17-7-11-21-9-2-1-3-10-21/h1-6,8-10,12-16,18,20H,7,11,17,19H2,(H,32,34,35,39)
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300n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Binding affinity to bovine adenosine A3 receptor


Bioorg Med Chem 18: 7890-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50171754
PNG
(7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-ca...)
Show SMILES CC1CCC(CC1)NC(=O)c1cnc2nc(C)ccc2c1O
Show InChI InChI=1S/C17H21N3O2/c1-10-3-6-12(7-4-10)20-17(22)14-9-18-16-13(15(14)21)8-5-11(2)19-16/h5,8-10,12H,3-4,6-7H2,1-2H3,(H,20,22)(H,18,19,21)
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360n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS-21,680 binding to adenosine A2a receptor of human striatal membrane


Bioorg Med Chem Lett 15: 4604-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.064
BindingDB Entry DOI: 10.7270/Q2QV3M1S
More data for this
Ligand-Target Pair
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