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Compile Data Set for Download or QSAR

Found 842 hits of ec50 data for polymerid = 2130,2135,4341,5768   
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


(Homo sapiens (human))
BDBM50451378
PNG
(CHEMBL39106)
Show SMILES CC(=O)Oc1ccc2-c3nc(N)sc3CCc2c1
Show InChI InChI=1S/C13H12N2O2S.HI/c1-7(16)17-9-3-4-10-8(6-9)2-5-11-12(10)15-13(14)18-11;/h3-4,6H,2,5H2,1H3,(H2,14,15);1H
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n/an/an/an/a 0n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
AE maximal score at Adenosine A2A receptor


Bioorg Med Chem Lett 12: 1563-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00236-6
BindingDB Entry DOI: 10.7270/Q2833RBV
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (human))
BDBM50451381
PNG
(CHEMBL38779)
Show SMILES COc1ccc2-c3nc(N)sc3CCc2c1
Show InChI InChI=1S/C12H12N2OS.HI/c1-15-8-3-4-9-7(6-8)2-5-10-11(9)14-12(13)16-10;/h3-4,6H,2,5H2,1H3,(H2,13,14);1H
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n/an/an/an/a 0n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
AE maximal score at Adenosine A2A receptor


Bioorg Med Chem Lett 12: 1563-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00236-6
BindingDB Entry DOI: 10.7270/Q2833RBV
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50451378
PNG
(CHEMBL39106)
Show SMILES CC(=O)Oc1ccc2-c3nc(N)sc3CCc2c1
Show InChI InChI=1S/C13H12N2O2S.HI/c1-7(16)17-9-3-4-10-8(6-9)2-5-11-12(10)15-13(14)18-11;/h3-4,6H,2,5H2,1H3,(H2,14,15);1H
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n/an/an/an/a 0.00000100n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
AE maximal score at Adenosine A3 receptor


Bioorg Med Chem Lett 12: 1563-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00236-6
BindingDB Entry DOI: 10.7270/Q2833RBV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50451379
PNG
(CHEMBL43299)
Show SMILES COc1cc2Cc3sc(N)nc3-c2cc1OC
Show InChI InChI=1S/C12H12N2O2S.HI/c1-15-8-3-6-4-10-11(14-12(13)17-10)7(6)5-9(8)16-2;/h3,5H,4H2,1-2H3,(H2,13,14);1H
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n/an/an/an/a 0.00100n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
AE maximal score at Adenosine A2A receptor


Bioorg Med Chem Lett 12: 1563-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00236-6
BindingDB Entry DOI: 10.7270/Q2833RBV
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50069857
PNG
(CHEMBL3407783)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#Cc1cccs1
Show InChI InChI=1S/C20H20N6O3S/c1-21-17-13-18(25-12(24-17)6-5-10-4-3-7-30-10)26(9-23-13)14-11-8-20(11,19(29)22-2)16(28)15(14)27/h3-4,7,9,11,14-16,27-28H,8H2,1-2H3,(H,22,29)(H,21,24,25)/t11-,14-,15+,16+,20+/m1/s1
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n/an/an/an/a 0.420n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant A3 adenosine receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production aft...


J Med Chem 57: 9901-14 (2014)


Article DOI: 10.1021/jm501021n
BindingDB Entry DOI: 10.7270/Q2S1846G
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50088428
PNG
((1R,2R,3S,4R,5S)-4-[2-Chloro-6-(3-iodo-benzylamino...)
Show SMILES OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C19H19ClIN5O3/c20-18-24-16(22-6-9-2-1-3-10(21)4-9)12-17(25-18)26(8-23-12)13-11-5-19(11,7-27)15(29)14(13)28/h1-4,8,11,13-15,27-29H,5-7H2,(H,22,24,25)/t11-,13-,14+,15+,19+/m1/s1
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n/an/an/an/a 0.670n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, against human adenosine A3 receptor


J Med Chem 43: 2196-203 (2000)


Article DOI: 10.1021/jm9905965
BindingDB Entry DOI: 10.7270/Q2ZW1MM5
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50088425
PNG
((1R,2R,3S,4R,5S)-1-Hydroxymethyl-4-[6-(3-iodo-benz...)
Show SMILES OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C19H20IN5O3/c20-11-3-1-2-10(4-11)6-21-17-13-18(23-8-22-17)25(9-24-13)14-12-5-19(12,7-26)16(28)15(14)27/h1-4,8-9,12,14-16,26-28H,5-7H2,(H,21,22,23)/t12-,14-,15+,16+,19+/m1/s1
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n/an/an/an/a 0.700n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, against human adenosine A3 receptor


J Med Chem 43: 2196-203 (2000)


Article DOI: 10.1021/jm9905965
BindingDB Entry DOI: 10.7270/Q2ZW1MM5
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50385948
PNG
(CHEMBL2042304)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(F)nc12
Show InChI InChI=1S/C26H27FN6O4/c1-2-28-24(36)21-19(34)20(35)25(37-21)33-14-30-18-22(31-26(27)32-23(18)33)29-13-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17,19-21,25,34-35H,2,13H2,1H3,(H,28,36)(H,29,31,32)/t19-,20+,21-,25+/m0/s1
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n/an/an/an/a 0.850n/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2A receptor expressed in CHO cells assessed as increase in intracellular cAMP level after 30 mins


J Med Chem 55: 3521-34 (2012)


Article DOI: 10.1021/jm300206u
BindingDB Entry DOI: 10.7270/Q2FT8N35
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50118812
PNG
((2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylami...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1
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n/an/an/an/a 1n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of isoproterenol-stimulated cAMP accumulation in HEK 293 cells expressing human Adenosine A3 receptor


J Med Chem 46: 353-5 (2003)


Article DOI: 10.1021/jm0255724
BindingDB Entry DOI: 10.7270/Q2416WDM
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50369167
PNG
(CHEMBL611256)
Show SMILES CCCC\C=C/c1nc(N)c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
Show InChI InChI=1S/C18H26N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h7-9,12-14,18,25-26H,3-6H2,1-2H3,(H,20,27)(H2,19,22,23)/b8-7-/t12-,13+,14-,18?/m0/s1
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n/an/an/an/a>1n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Adenosine A1 receptor mediated negative chronotropic activity in spontaneously beating rat atria


J Med Chem 39: 4211-7 (1996)


Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50454421
PNG
(CHEMBL2113529)
Show SMILES CCCCCCc1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
Show InChI InChI=1S/C18H28N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h9,12-14,18,25-26H,3-8H2,1-2H3,(H,20,27)(H2,19,22,23)/t12-,13+,14-,18+/m0/s1
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n/an/an/an/a>1n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Adenosine A1 receptor mediated negative chronotropic activity in spontaneously beating rat atria


J Med Chem 39: 4211-7 (1996)


Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50454091
PNG
(CHEMBL2113450)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCCCc1ccccc1
Show InChI InChI=1S/C23H26N6O4/c1-2-25-22(32)19-17(30)18(31)23(33-19)29-13-26-16-20(24)27-15(28-21(16)29)12-8-4-7-11-14-9-5-3-6-10-14/h3,5-6,9-10,13,17-19,23,30-31H,2,4,7,11H2,1H3,(H,25,32)(H2,24,27,28)/t17-,18+,19-,23+/m0/s1
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Universit£ di Camerino

Curated by ChEMBL


Assay Description
Adenosine A1 receptor mediated negative chronotropic activity in spontaneously beating rat atria


J Med Chem 39: 4211-7 (1996)


Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50454423
PNG
(CHEMBL2113528)
Show SMILES CCCC\C=C\c1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
Show InChI InChI=1S/C18H26N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h7-9,12-14,18,25-26H,3-6H2,1-2H3,(H,20,27)(H2,19,22,23)/b8-7+/t12-,13+,14-,18+/m0/s1
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n/an/an/an/a>1n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Adenosine A1 receptor mediated negative chronotropic activity in spontaneously beating rat atria


J Med Chem 39: 4211-7 (1996)


Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50454424
PNG
(CHEMBL2113527)
Show SMILES CCCC\C=C/c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H23N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h5-6,8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,19,20)/b6-5-/t9-,12-,13-,16-/m1/s1
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n/an/an/an/a>1n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Adenosine A1 receptor mediated negative chronotropic activity in spontaneously beating rat atria


J Med Chem 39: 4211-7 (1996)


Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50205705
PNG
((2S,3S,4R)-5-((R)-6-amino-2-phenylethynyl-9H-purin...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccccc1
Show InChI InChI=1S/C20H20N6O4/c1-2-22-19(29)16-14(27)15(28)20(30-16)26-10-23-13-17(21)24-12(25-18(13)26)9-8-11-6-4-3-5-7-11/h3-7,10,14-16,20,27-28H,2H2,1H3,(H,22,29)(H2,21,24,25)/t14-,15+,16-,20+/m0/s1
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Universit£ di Camerino

Curated by ChEMBL


Assay Description
Adenosine A1 receptor mediated negative chronotropic activity in spontaneously beating rat atria


J Med Chem 39: 4211-7 (1996)


Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50150766
PNG
((2R,3R,4S,5R)-2-(6-amino-2-((S)-1-hydroxy-3-phenyl...)
Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccccc3)nc12
Show InChI InChI=1S/C21H26N10O4/c1-2-31-28-18(27-29-31)16-14(33)15(34)20(35-16)30-10-23-13-17(22)25-21(26-19(13)30)24-12(9-32)8-11-6-4-3-5-7-11/h3-7,10,12,14-16,20,32-34H,2,8-9H2,1H3,(H3,22,24,25,26)/t12-,14-,15+,16-,20+/m0/s1
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n/an/an/an/a 1n/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adenosine A2A receptor expressed in CHO cells assessed as induction of cyclic AMP production


J Med Chem 55: 5676-703 (2012)


Article DOI: 10.1021/jm300087j
BindingDB Entry DOI: 10.7270/Q25H7HDK
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50119168
PNG
((2R,3R,4S,5R)-2-(6-Amino-2-hex-1-ynyl-purin-9-yl)-...)
Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H21N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,19,20)/t9-,12-,13-,16-/m1/s1
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Universit£ di Camerino

Curated by ChEMBL


Assay Description
Adenosine A1 receptor mediated negative chronotropic activity in spontaneously beating rat atria


J Med Chem 39: 4211-7 (1996)


Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50454426
PNG
(CHEMBL2304158)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(\C=C\CCCc3ccccc3)nc12
Show InChI InChI=1S/C23H28N6O4/c1-2-25-22(32)19-17(30)18(31)23(33-19)29-13-26-16-20(24)27-15(28-21(16)29)12-8-4-7-11-14-9-5-3-6-10-14/h3,5-6,8-10,12-13,17-19,23,30-31H,2,4,7,11H2,1H3,(H,25,32)(H2,24,27,28)/b12-8+/t17-,18+,19-,23+/m0/s1
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Universit£ di Camerino

Curated by ChEMBL


Assay Description
Adenosine A1 receptor mediated negative chronotropic activity in spontaneously beating rat atria


J Med Chem 39: 4211-7 (1996)


Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50369168
PNG
(CHEMBL608918)
Show SMILES CCCCCCc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H25N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-7H2,1H3,(H2,17,19,20)/t9-,12-,13-,16?/m1/s1
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n/an/an/an/a>1n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Adenosine A1 receptor mediated negative chronotropic activity in spontaneously beating rat atria


J Med Chem 39: 4211-7 (1996)


Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453224
PNG
(2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (1...)
Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
Show InChI InChI=1S/C18H24N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h9,12-14,18,25-26H,3-6H2,1-2H3,(H,20,27)(H2,19,22,23)/t12-,13+,14-,18+/m0/s1
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n/an/an/an/a>1n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Adenosine A1 receptor mediated negative chronotropic activity in spontaneously beating rat atria


J Med Chem 39: 4211-7 (1996)


Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50454422
PNG
(CHEMBL2113525)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(\C=C/CCCc3ccccc3)nc12
Show InChI InChI=1S/C23H28N6O4/c1-2-25-22(32)19-17(30)18(31)23(33-19)29-13-26-16-20(24)27-15(28-21(16)29)12-8-4-7-11-14-9-5-3-6-10-14/h3,5-6,8-10,12-13,17-19,23,30-31H,2,4,7,11H2,1H3,(H,25,32)(H2,24,27,28)/b12-8-/t17-,18+,19-,23+/m0/s1
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n/an/an/an/a>1n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Adenosine A1 receptor mediated negative chronotropic activity in spontaneously beating rat atria


J Med Chem 39: 4211-7 (1996)


Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50389148
PNG
(CHEMBL2064657)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#Cc1ccc(F)c(F)c1
Show InChI InChI=1S/C28H23ClF2N6O3/c1-32-27(40)28-11-17(28)22(23(38)24(28)39)37-13-34-21-25(33-12-15-3-2-4-16(29)9-15)35-20(36-26(21)37)8-6-14-5-7-18(30)19(31)10-14/h2-5,7,9-10,13,17,22-24,38-39H,11-12H2,1H3,(H,32,40)(H,33,35,36)/t17-,22-,23+,24+,28+/m1/s1
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n/an/an/an/a 1.20n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adenosine A3 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production inc...


J Med Chem 55: 4847-60 (2012)


Article DOI: 10.1021/jm300396n
BindingDB Entry DOI: 10.7270/Q2765GCG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM21221
PNG
((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1
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n/an/an/an/a 1.20n/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A3 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP


Bioorg Med Chem Lett 18: 1612-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.070
BindingDB Entry DOI: 10.7270/Q2RN38QV
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM21237
PNG
(2-mercaptopyrimidine analogue, 5p | N-[6-(2-phenyl...)
Show SMILES CCCSc1nc(NC(C)=O)cc(OCCc2ccccc2)n1
Show InChI InChI=1S/C17H21N3O2S/c1-3-11-23-17-19-15(18-13(2)21)12-16(20-17)22-10-9-14-7-5-4-6-8-14/h4-8,12H,3,9-11H2,1-2H3,(H,18,19,20,21)
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1.40n/an/an/a 1.25n/an/an/an/a



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A3 receptors were used in binding assays. Nonspecific binding was determined i...


J Med Chem 51: 1764-70 (2008)


Article DOI: 10.1021/jm701159t
BindingDB Entry DOI: 10.7270/Q2MP51JK
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50150762
PNG
((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-1-hydroxymethyl-2-...)
Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(OC)cc3)nc12
Show InChI InChI=1S/C22H28N10O5/c1-3-32-29-19(28-30-32)17-15(34)16(35)21(37-17)31-10-24-14-18(23)26-22(27-20(14)31)25-12(9-33)8-11-4-6-13(36-2)7-5-11/h4-7,10,12,15-17,21,33-35H,3,8-9H2,1-2H3,(H3,23,25,26,27)/t12-,15-,16+,17-,21+/m0/s1
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n/an/an/an/a 1.40n/an/an/an/a



IIQAB (CSIC)

Curated by ChEMBL


Assay Description
Potency against cAMP formation in CHO cells expressing recombinant human A2A receptor


J Med Chem 47: 4041-53 (2004)


Article DOI: 10.1021/jm031143+
BindingDB Entry DOI: 10.7270/Q26D5TR9
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50118799
PNG
(4-(2-Chloro-6-methylamino-purin-9-yl)-2,3-dihydrox...)
Show SMILES CNC(=O)C12CC1C(C(O)C2O)n1cnc2c(NC)nc(Cl)nc12
Show InChI InChI=1S/C14H17ClN6O3/c1-16-10-6-11(20-13(15)19-10)21(4-18-6)7-5-3-14(5,12(24)17-2)9(23)8(7)22/h4-5,7-9,22-23H,3H2,1-2H3,(H,17,24)(H,16,19,20)
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n/an/an/an/a 1.40n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effect on forskolin-stimulated cyclic AMP production in intact chinese hamster ovary (CHO) cell expressing the human Adenosine A3 receptor


J Med Chem 45: 4471-84 (2002)


Article DOI: 10.1021/jm020211+
BindingDB Entry DOI: 10.7270/Q2P84CMQ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50116878
PNG
(CHEMBL3612940)
Show SMILES CCNc1cc(nc2n(cnc12)[C@@H]1[C@H]2C[C@]2([C@@H](O)[C@H]1O)C(=O)NC)C#Cc1ccc(Cl)s1
Show InChI InChI=1S/C22H22ClN5O3S/c1-3-25-14-8-11(4-5-12-6-7-15(23)32-12)27-20-16(14)26-10-28(20)17-13-9-22(13,21(31)24-2)19(30)18(17)29/h6-8,10,13,17-19,29-30H,3,9H2,1-2H3,(H,24,31)(H,25,27)/t13-,17-,18+,19+,22+/m1/s1
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n/an/an/an/a 1.5n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A3 receptor expressed in CHO cells assessed as inhibition of cAMP production


ACS Med Chem Lett 6: 804-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00150
BindingDB Entry DOI: 10.7270/Q23R0VPF
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50069858
PNG
(CHEMBL3407774)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#Cc1cnccn1
Show InChI InChI=1S/C20H20N8O3/c1-21-17-13-18(27-12(26-17)4-3-10-8-23-5-6-24-10)28(9-25-13)14-11-7-20(11,19(31)22-2)16(30)15(14)29/h5-6,8-9,11,14-16,29-30H,7H2,1-2H3,(H,22,31)(H,21,26,27)/t11-,14-,15+,16+,20+/m1/s1
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n/an/an/an/a 1.5n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant A3 adenosine receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production aft...


J Med Chem 57: 9901-14 (2014)


Article DOI: 10.1021/jm501021n
BindingDB Entry DOI: 10.7270/Q2S1846G
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50118800
PNG
(CHEMBL369744 | N-[6-(4-Amino-3-iodo-benzylamino)-9...)
Show SMILES CNCC(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(N)c(I)c3)ncnc12
Show InChI InChI=1S/C20H25IN8O4/c1-23-7-14(30)24-6-13-16(31)17(32)20(33-13)29-9-28-15-18(26-8-27-19(15)29)25-5-10-2-3-12(22)11(21)4-10/h2-4,8-9,13,16-17,20,23,31-32H,5-7,22H2,1H3,(H,24,30)(H,25,26,27)/t13-,16-,17-,20-/m1/s1
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n/an/an/an/a 1.60n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effect on forskolin-stimulated cyclic AMP production in intact chinese hamster ovary (CHO) cell expressing the human Adenosine A3 receptor


J Med Chem 45: 4471-84 (2002)


Article DOI: 10.1021/jm020211+
BindingDB Entry DOI: 10.7270/Q2P84CMQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50150765
PNG
((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-2-(4-bromo-phenyl)...)
Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(Br)cc3)nc12
Show InChI InChI=1S/C21H25BrN10O4/c1-2-32-29-18(28-30-32)16-14(34)15(35)20(36-16)31-9-24-13-17(23)26-21(27-19(13)31)25-12(8-33)7-10-3-5-11(22)6-4-10/h3-6,9,12,14-16,20,33-35H,2,7-8H2,1H3,(H3,23,25,26,27)/t12-,14-,15+,16-,20+/m0/s1
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n/an/an/an/a 1.60n/an/an/an/a



IIQAB (CSIC)

Curated by ChEMBL


Assay Description
Potency against cAMP formation in CHO cells expressing recombinant human A2A receptor


J Med Chem 47: 4041-53 (2004)


Article DOI: 10.1021/jm031143+
BindingDB Entry DOI: 10.7270/Q26D5TR9
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM21239
PNG
(2-mercaptopyrimidine analogue, 5r | N-{6-[(4-chlor...)
Show SMILES CCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C15H16ClN3O2S/c1-3-22-15-18-13(17-10(2)20)8-14(19-15)21-9-11-4-6-12(16)7-5-11/h4-8H,3,9H2,1-2H3,(H,17,18,19,20)
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2n/an/an/a 1.84n/an/an/an/a



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A3 receptors were used in binding assays. Nonspecific binding was determined i...


J Med Chem 51: 1764-70 (2008)


Article DOI: 10.1021/jm701159t
BindingDB Entry DOI: 10.7270/Q2MP51JK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50215116
PNG
(CHEMBL393362 | N6-(3-iodobenzyl)-2'-O-methyladenos...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](OC)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C19H21IN6O4/c1-21-18(28)14-13(27)15(29-2)19(30-14)26-9-25-12-16(23-8-24-17(12)26)22-7-10-4-3-5-11(20)6-10/h3-6,8-9,13-15,19,27H,7H2,1-2H3,(H,21,28)(H,22,23,24)/t13-,14+,15-,19-/m1/s1
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n/an/an/an/a 1.90n/an/an/an/a



Santaris Pharma A/S

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A3 receptor after 15 to 30 mins


Bioorg Med Chem 15: 5440-7 (2007)


Article DOI: 10.1016/j.bmc.2007.05.056
BindingDB Entry DOI: 10.7270/Q2086515
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50385955
PNG
(CHEMBL2042311)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(F)nc12
Show InChI InChI=1S/C25H25FN6O4/c1-27-23(35)20-18(33)19(34)24(36-20)32-13-29-17-21(30-25(26)31-22(17)32)28-12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,16,18-20,24,33-34H,12H2,1H3,(H,27,35)(H,28,30,31)/t18-,19+,20-,24+/m0/s1
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n/an/an/an/a 2.02n/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2A receptor expressed in CHO cells assessed as increase in intracellular cAMP level after 30 mins


J Med Chem 55: 3521-34 (2012)


Article DOI: 10.1021/jm300206u
BindingDB Entry DOI: 10.7270/Q2FT8N35
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM35804
PNG
((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12
Show InChI InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1
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n/an/an/an/a 2.10n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2a receptor expressed in CHO cells assessed as stimulation of cAMP formation after 24 hrs


ACS Med Chem Lett 5: 1043-8 (2014)


Article DOI: 10.1021/ml5002486
BindingDB Entry DOI: 10.7270/Q2VD712G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50385957
PNG
(CHEMBL2042297)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(F)nc12
Show InChI InChI=1S/C12H15FN6O4/c1-2-15-10(22)7-5(20)6(21)11(23-7)19-3-16-4-8(14)17-12(13)18-9(4)19/h3,5-7,11,20-21H,2H2,1H3,(H,15,22)(H2,14,17,18)/t5-,6+,7-,11+/m0/s1
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n/an/an/an/a 2.30n/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as increase in intracellular cAMP level after 30 mins


J Med Chem 55: 3521-34 (2012)


Article DOI: 10.1021/jm300206u
BindingDB Entry DOI: 10.7270/Q2FT8N35
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50078422
PNG
(CHEMBL3414936)
Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H15N9O3/c1-2-21-18-10(17-19-21)8-6(22)7(23)12(24-8)20-4-16-5-9(13)14-3-15-11(5)20/h3-4,6-8,12,22-23H,2H2,1H3,(H2,13,14,15)/t6-,7+,8-,12+/m0/s1
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n/an/an/an/a 2.40n/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adenosine A2A receptor transfected in CHO cells assessed as induction of adenylyl cyclase activity


J Med Chem 58: 2560-6 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00074
BindingDB Entry DOI: 10.7270/Q2GX4D8B
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM21236
PNG
(2-mercaptopyrimidine analogue, 5o | N-{6-[(4-metho...)
Show SMILES CCCSc1nc(NC(C)=O)cc(OCc2ccc(OC)cc2)n1
Show InChI InChI=1S/C17H21N3O3S/c1-4-9-24-17-19-15(18-12(2)21)10-16(20-17)23-11-13-5-7-14(22-3)8-6-13/h5-8,10H,4,9,11H2,1-3H3,(H,18,19,20,21)
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1.80n/an/an/a 2.70n/an/an/an/a



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A3 receptors were used in binding assays. Nonspecific binding was determined i...


J Med Chem 51: 1764-70 (2008)


Article DOI: 10.1021/jm701159t
BindingDB Entry DOI: 10.7270/Q2MP51JK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM21221
PNG
((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1
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n/an/an/an/a 2.80n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effect on forskolin-stimulated cyclic AMP production in intact chinese hamster ovary (CHO) cell expressing the human Adenosine A3 receptor


J Med Chem 45: 4471-84 (2002)


Article DOI: 10.1021/jm020211+
BindingDB Entry DOI: 10.7270/Q2P84CMQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50003647
PNG
(CHEMBL3235280)
Show SMILES CCN(CC)CCN1CCN(CC1)C(=O)CCc1cccc(CSc2nc(N)c(C#N)c(n2)-c2ccc(NC(C)=O)cc2)n1
Show InChI InChI=1S/C32H41N9O2S/c1-4-39(5-2)15-16-40-17-19-41(20-18-40)29(43)14-13-25-7-6-8-27(36-25)22-44-32-37-30(28(21-33)31(34)38-32)24-9-11-26(12-10-24)35-23(3)42/h6-12H,4-5,13-20,22H2,1-3H3,(H,35,42)(H2,34,37,38)
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n/an/an/an/a 3n/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2A receptor expressed in HEK293 cells assessed as increase in intracellular cAMP level after 30 mins by EIA


J Med Chem 57: 3213-22 (2014)


Article DOI: 10.1021/jm401643m
BindingDB Entry DOI: 10.7270/Q27P90X6
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50150764
PNG
((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-1-hydroxymethyl-2-...)
Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(cc3)[N+]([O-])=O)nc12
Show InChI InChI=1S/C21H25N11O6/c1-2-31-28-18(27-29-31)16-14(34)15(35)20(38-16)30-9-23-13-17(22)25-21(26-19(13)30)24-11(8-33)7-10-3-5-12(6-4-10)32(36)37/h3-6,9,11,14-16,20,33-35H,2,7-8H2,1H3,(H3,22,24,25,26)/t11-,14-,15+,16-,20+/m0/s1
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n/an/an/an/a 3.10n/an/an/an/a



IIQAB (CSIC)

Curated by ChEMBL


Assay Description
Potency against cAMP formation in CHO cells expressing recombinant human A2A receptor


J Med Chem 47: 4041-53 (2004)


Article DOI: 10.1021/jm031143+
BindingDB Entry DOI: 10.7270/Q26D5TR9
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50106537
PNG
(4-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-2,3...)
Show SMILES CNC(=O)C12CC1C(C(O)C2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C20H20ClIN6O3/c1-23-18(31)20-6-11(20)13(14(29)15(20)30)28-8-25-12-16(26-19(21)27-17(12)28)24-7-9-3-2-4-10(22)5-9/h2-5,8,11,13-15,29-30H,6-7H2,1H3,(H,23,31)(H,24,26,27)
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n/an/an/an/a 3.30n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effect on forskolin-stimulated cyclic AMP production in intact chinese hamster ovary (CHO) cell expressing the human Adenosine A3 receptor


J Med Chem 45: 4471-84 (2002)


Article DOI: 10.1021/jm020211+
BindingDB Entry DOI: 10.7270/Q2P84CMQ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50122926
PNG
(3-Amino-5-{6-[5-chloro-2-(3-methyl-isoxazol-5-ylme...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cc(Cl)ccc3OCc3cc(C)no3)ncnc12
Show InChI InChI=1S/C23H25ClN8O5/c1-11-5-14(37-31-11)8-35-15-4-3-13(24)6-12(15)7-27-20-17-21(29-9-28-20)32(10-30-17)23-18(33)16(25)19(36-23)22(34)26-2/h3-6,9-10,16,18-19,23,33H,7-8,25H2,1-2H3,(H,26,34)(H,27,28,29)/t16-,18+,19-,23+/m0/s1
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n/an/an/an/a 3.40n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of isoproterenol-stimulated cAMP accumulation in HEK 293 cells expressing human Adenosine A3 receptor


J Med Chem 46: 353-5 (2003)


Article DOI: 10.1021/jm0255724
BindingDB Entry DOI: 10.7270/Q2416WDM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50118812
PNG
((2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylami...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1
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n/an/an/an/a 3.60n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effect on forskolin-stimulated cyclic AMP production in intact chinese hamster ovary (CHO) cell expressing the human Adenosine A3 receptor


J Med Chem 45: 4471-84 (2002)


Article DOI: 10.1021/jm020211+
BindingDB Entry DOI: 10.7270/Q2P84CMQ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50218905
PNG
(2,2-diphenyl-N-(2-phenyl-2H-pyrazolo[3,4-c]quinoli...)
Show SMILES O=C(Nc1nc2ccccc2c2cn(nc12)-c1ccccc1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H22N4O/c35-30(27(21-12-4-1-5-13-21)22-14-6-2-7-15-22)32-29-28-25(24-18-10-11-19-26(24)31-29)20-34(33-28)23-16-8-3-9-17-23/h1-20,27H,(H,31,32,35)
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n/an/an/an/a 3.80n/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A3 receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP accumulation


J Med Chem 50: 4061-74 (2007)


Article DOI: 10.1021/jm070123v
BindingDB Entry DOI: 10.7270/Q2JM29BR
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50078423
PNG
(CHEMBL3414937)
Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(Cl)nc12
Show InChI InChI=1S/C12H14ClN9O3/c1-2-22-19-9(18-20-22)7-5(23)6(24)11(25-7)21-3-15-4-8(14)16-12(13)17-10(4)21/h3,5-7,11,23-24H,2H2,1H3,(H2,14,16,17)/t5-,6+,7-,11+/m0/s1
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n/an/an/an/a 3.80n/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adenosine A2A receptor transfected in CHO cells assessed as induction of adenylyl cyclase activity


J Med Chem 58: 2560-6 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00074
BindingDB Entry DOI: 10.7270/Q2GX4D8B
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM191805
PNG
(US9187428, 33)
Show SMILES NC(=O)c1cccc(CSc2nc(N)c(C#N)c(-c3ccccc3)c2C#N)c1
Show InChI InChI=1S/C21H15N5OS/c22-10-16-18(14-6-2-1-3-7-14)17(11-23)21(26-19(16)24)28-12-13-5-4-8-15(9-13)20(25)27/h1-9H,12H2,(H2,24,26)(H2,25,27)
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n/an/an/an/a 3.90n/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
The following test protocol is used for pharmacologically characterizing cells and for the robot-assisted substance screening:The stock cultures ar...


US Patent US9187428 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93Q4
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50264215
PNG
((1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(3-Bromobenzy...)
Show SMILES O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc12
Show InChI InChI=1S/C18H17BrClN5O2/c19-9-3-1-2-8(4-9)6-21-16-12-17(24-18(20)23-16)25(7-22-12)13-10-5-11(10)14(26)15(13)27/h1-4,7,10-11,13-15,26-27H,5-6H2,(H,21,23,24)/t10-,11+,13+,14+,15-/m0/s1
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n/an/an/an/a 4.20n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adenosine A3 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production tre...


J Med Chem 52: 7580-92 (2009)


Article DOI: 10.1021/jm900426g
BindingDB Entry DOI: 10.7270/Q2ZC82WM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50150766
PNG
((2R,3R,4S,5R)-2-(6-amino-2-((S)-1-hydroxy-3-phenyl...)
Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccccc3)nc12
Show InChI InChI=1S/C21H26N10O4/c1-2-31-28-18(27-29-31)16-14(33)15(34)20(35-16)30-10-23-13-17(22)25-21(26-19(13)30)24-12(9-32)8-11-6-4-3-5-7-11/h3-7,10,12,14-16,20,32-34H,2,8-9H2,1H3,(H3,22,24,25,26)/t12-,14-,15+,16-,20+/m0/s1
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n/an/an/an/a 4.20n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A3 receptor expressed in CHO cells by GTPPgammaS binding assay


Bioorg Med Chem Lett 20: 1219-24 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.131
BindingDB Entry DOI: 10.7270/Q2X92BDC
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50079321
PNG
(CHEMBL3416799)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(Cl)cc3F)nc12
Show InChI InChI=1S/C24H31ClFN9O4/c1-2-28-22(38)19-17(36)18(37)23(39-19)35-12-30-16-20(27)31-24(32-21(16)35)29-5-6-33-7-9-34(10-8-33)15-4-3-13(25)11-14(15)26/h3-4,11-12,17-19,23,36-37H,2,5-10H2,1H3,(H,28,38)(H3,27,29,31,32)/t17-,18+,19-,23+/m0/s1
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n/an/an/an/a 4.90n/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2A receptor expressed in CHO cells assessed as stimulation of [3H]cAMP levels by scintillation counting method


J Med Chem 58: 3253-67 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00215
BindingDB Entry DOI: 10.7270/Q2X068RF
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50088422
PNG
((2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C17H18IN5O4/c18-10-3-1-2-9(4-10)5-19-15-12-16(21-7-20-15)23(8-22-12)17-14(26)13(25)11(6-24)27-17/h1-4,7-8,11,13-14,17,24-26H,5-6H2,(H,19,20,21)/t11-,13-,14-,17-/m1/s1
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n/an/an/an/a 5.20n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, against human adenosine A3 receptor


J Med Chem 43: 2196-203 (2000)


Article DOI: 10.1021/jm9905965
BindingDB Entry DOI: 10.7270/Q2ZW1MM5
More data for this
Ligand-Target Pair
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