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Compile Data Set for Download or QSAR

Found 428 hits of ec50 data for polymerid = 4341   
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 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 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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US Patent
n/an/an/an/a 3.90n/an/a7.437



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 A2b


(Homo sapiens (Human))
BDBM50205591
PNG
((2S,3S,4R,5R)-N-ethyl-3,4-dihydroxy-5-(6-(4-(2-oxo...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccccc4)cc3)ncnc12
Show InChI InChI=1S/C26H27N7O6/c1-2-27-25(37)22-20(35)21(36)26(39-22)33-14-30-19-23(28-13-29-24(19)33)32-16-8-10-17(11-9-16)38-12-18(34)31-15-6-4-3-5-7-15/h3-11,13-14,20-22,26,35-36H,2,12H2,1H3,(H,27,37)(H,31,34)(H,28,29,32)/t20-,21+,22-,26+/m0/s1
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n/an/an/an/a 7.30n/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of cAMP production


Bioorg Med Chem 15: 2514-27 (2007)


Article DOI: 10.1016/j.bmc.2007.01.055
BindingDB Entry DOI: 10.7270/Q2R78G14
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50150076
PNG
(2-((1H-imidazol-2-yl)methylthio)-6-amino-4-(4-meth...)
Show SMILES COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2ncc[nH]2)c1C#N
Show InChI InChI=1S/C18H14N6OS/c1-25-12-4-2-11(3-5-12)16-13(8-19)17(21)24-18(14(16)9-20)26-10-15-22-6-7-23-15/h2-7H,10H2,1H3,(H2,21,24)(H,22,23)
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n/an/an/an/a 9n/an/an/an/a



University of Leiden

Curated by ChEMBL


Assay Description
Agonistic activity against human adenosine A2B receptor expressed in CHO cells


J Med Chem 47: 3707-9 (2004)


Article DOI: 10.1021/jm049947s
BindingDB Entry DOI: 10.7270/Q2833SS3
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50458354
PNG
(CHEMBL4216880)
Show SMILES Nc1nc(SCc2ncc[nH]2)c(C#N)c(-c2ccc(OCC3CC3)cc2)c1C#N
Show InChI InChI=1S/C21H18N6OS/c22-9-16-19(14-3-5-15(6-4-14)28-11-13-1-2-13)17(10-23)21(27-20(16)24)29-12-18-25-7-8-26-18/h3-8,13H,1-2,11-12H2,(H2,24,27)(H,25,26)
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n/an/an/an/a 9.5n/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2B receptor expressed in CHO cell membranes assessed as induction of cAMP accumulation by AlphaScreen assay


Eur J Med Chem 150: 127-139 (2018)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50150078
PNG
(2-Amino-4-(3-hydroxy-phenyl)-6-(1H-imidazol-2-ylme...)
Show SMILES Nc1nc(SCc2ncc[nH]2)c(C#N)c(-c2cccc(O)c2)c1C#N
Show InChI InChI=1S/C17H12N6OS/c18-7-12-15(10-2-1-3-11(24)6-10)13(8-19)17(23-16(12)20)25-9-14-21-4-5-22-14/h1-6,24H,9H2,(H2,20,23)(H,21,22)
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n/an/an/an/a 10n/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human adenosine A2B receptor expressed in CHO cells assessed as increase in cAMP production


J Med Chem 59: 5922-8 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00552
BindingDB Entry DOI: 10.7270/Q2P84DV8
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50150078
PNG
(2-Amino-4-(3-hydroxy-phenyl)-6-(1H-imidazol-2-ylme...)
Show SMILES Nc1nc(SCc2ncc[nH]2)c(C#N)c(-c2cccc(O)c2)c1C#N
Show InChI InChI=1S/C17H12N6OS/c18-7-12-15(10-2-1-3-11(24)6-10)13(8-19)17(23-16(12)20)25-9-14-21-4-5-22-14/h1-6,24H,9H2,(H2,20,23)(H,21,22)
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n/an/an/an/a 10n/an/an/an/a



University of Leiden

Curated by ChEMBL


Assay Description
Agonistic activity against human adenosine A2B receptor expressed in CHO cells


J Med Chem 47: 3707-9 (2004)


Article DOI: 10.1021/jm049947s
BindingDB Entry DOI: 10.7270/Q2833SS3
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50205587
PNG
((2S,3S,4R,5R)-5-(6-(4-(2-(4-bromophenylamino)-2-ox...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)ncnc12
Show InChI InChI=1S/C26H26BrN7O6/c1-2-28-25(38)22-20(36)21(37)26(40-22)34-13-31-19-23(29-12-30-24(19)34)33-16-7-9-17(10-8-16)39-11-18(35)32-15-5-3-14(27)4-6-15/h3-10,12-13,20-22,26,36-37H,2,11H2,1H3,(H,28,38)(H,32,35)(H,29,30,33)/t20-,21+,22-,26+/m0/s1
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n/an/an/an/a 10.5n/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of cAMP production


Bioorg Med Chem 15: 2514-27 (2007)


Article DOI: 10.1016/j.bmc.2007.01.055
BindingDB Entry DOI: 10.7270/Q2R78G14
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50150074
PNG
(2-Amino-4-(4-hydroxy-phenyl)-6-(1H-imidazol-2-ylme...)
Show SMILES Nc1nc(SCc2ncc[nH]2)c(C#N)c(-c2ccc(O)cc2)c1C#N
Show InChI InChI=1S/C17H12N6OS/c18-7-12-15(10-1-3-11(24)4-2-10)13(8-19)17(23-16(12)20)25-9-14-21-5-6-22-14/h1-6,24H,9H2,(H2,20,23)(H,21,22)
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Article
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n/an/an/an/a 12n/an/an/an/a



University of Leiden

Curated by ChEMBL


Assay Description
Agonistic activity against human adenosine A2B receptor expressed in CHO cells


J Med Chem 47: 3707-9 (2004)


Article DOI: 10.1021/jm049947s
BindingDB Entry DOI: 10.7270/Q2833SS3
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50458352
PNG
(CHEMBL4210592)
Show SMILES CCOc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2ncc[nH]2)c1C#N
Show InChI InChI=1S/C19H16N6OS/c1-2-26-13-5-3-12(4-6-13)17-14(9-20)18(22)25-19(15(17)10-21)27-11-16-23-7-8-24-16/h3-8H,2,11H2,1H3,(H2,22,25)(H,23,24)
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n/an/an/an/a 12n/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2B receptor expressed in CHO cell membranes assessed as induction of cAMP accumulation by AlphaScreen assay


Eur J Med Chem 150: 127-139 (2018)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50205580
PNG
((2S,3S,4R,5R)-5-(6-(4-(2-(4-chlorophenylamino)-2-o...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(Cl)cc4)cc3)ncnc12
Show InChI InChI=1S/C26H26ClN7O6/c1-2-28-25(38)22-20(36)21(37)26(40-22)34-13-31-19-23(29-12-30-24(19)34)33-16-7-9-17(10-8-16)39-11-18(35)32-15-5-3-14(27)4-6-15/h3-10,12-13,20-22,26,36-37H,2,11H2,1H3,(H,28,38)(H,32,35)(H,29,30,33)/t20-,21+,22-,26+/m0/s1
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n/an/an/an/a 12.3n/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of cAMP production


Bioorg Med Chem 15: 2514-27 (2007)


Article DOI: 10.1016/j.bmc.2007.01.055
BindingDB Entry DOI: 10.7270/Q2R78G14
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50458360
PNG
(CHEMBL4214347)
Show SMILES NC(=O)c1cccc(CSc2nc(N)c(C#N)c(-c3ccc(OCC4CC4)cc3)c2C#N)c1
Show InChI InChI=1S/C25H21N5O2S/c26-11-20-22(17-6-8-19(9-7-17)32-13-15-4-5-15)21(12-27)25(30-23(20)28)33-14-16-2-1-3-18(10-16)24(29)31/h1-3,6-10,15H,4-5,13-14H2,(H2,28,30)(H2,29,31)
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n/an/an/an/a 13n/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2B receptor expressed in CHO cell membranes assessed as induction of cAMP accumulation by AlphaScreen assay


Eur J Med Chem 150: 127-139 (2018)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(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 14n/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 A2b


(Homo sapiens (Human))
BDBM50205585
PNG
((2S,3S,4R,5R)-N-ethyl-5-(6-(4-(2-(4-fluorophenylam...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)ncnc12
Show InChI InChI=1S/C26H26FN7O6/c1-2-28-25(38)22-20(36)21(37)26(40-22)34-13-31-19-23(29-12-30-24(19)34)33-16-7-9-17(10-8-16)39-11-18(35)32-15-5-3-14(27)4-6-15/h3-10,12-13,20-22,26,36-37H,2,11H2,1H3,(H,28,38)(H,32,35)(H,29,30,33)/t20-,21+,22-,26+/m0/s1
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n/an/an/an/a 15.2n/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of cAMP production


Bioorg Med Chem 15: 2514-27 (2007)


Article DOI: 10.1016/j.bmc.2007.01.055
BindingDB Entry DOI: 10.7270/Q2R78G14
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
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n/an/an/an/a 16n/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Agonist activity at human A2BAR expressed in FlpIn-CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation preincubated for 40 min...


J Med Chem 61: 2087-2103 (2018)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50205589
PNG
((2S,3S,4R,5R)-5-(6-(4-(2-(4-tert-butylphenylamino)...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(cc4)C(C)(C)C)cc3)ncnc12
Show InChI InChI=1S/C30H35N7O6/c1-5-31-28(41)25-23(39)24(40)29(43-25)37-16-34-22-26(32-15-33-27(22)37)36-19-10-12-20(13-11-19)42-14-21(38)35-18-8-6-17(7-9-18)30(2,3)4/h6-13,15-16,23-25,29,39-40H,5,14H2,1-4H3,(H,31,41)(H,35,38)(H,32,33,36)/t23-,24+,25-,29+/m0/s1
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n/an/an/an/a 16.4n/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of cAMP production


Bioorg Med Chem 15: 2514-27 (2007)


Article DOI: 10.1016/j.bmc.2007.01.055
BindingDB Entry DOI: 10.7270/Q2R78G14
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50282640
PNG
(CHEMBL4168653)
Show SMILES O=C(CN1CCOC(Cn2cncn2)C1)Nc1cccnc1
Show InChI InChI=1S/C14H18N6O2/c21-14(18-12-2-1-3-15-6-12)9-19-4-5-22-13(7-19)8-20-11-16-10-17-20/h1-3,6,10-11,13H,4-5,7-9H2,(H,18,21)
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n/an/an/an/a 17n/an/an/an/a



Universidade Estadual de Feira de Santana

Curated by ChEMBL


Assay Description
Antagonist activity at Adenosine receptor subtype 2B in human RBC assessed as change in erythrocyte morphology incubated for 3 hrs with occasional ge...


Eur J Med Chem 136: 487-496 (2017)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50263207
PNG
(CHEMBL4086624)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCNC(=O)c3cccc(c3)-c3cccs3)ncnc12
Show InChI InChI=1S/C27H32N6O5S/c34-14-19-22(35)23(36)27(38-19)33-16-32-21-24(30-15-31-25(21)33)28-10-3-1-2-4-11-29-26(37)18-8-5-7-17(13-18)20-9-6-12-39-20/h5-9,12-13,15-16,19,22-23,27,34-36H,1-4,10-11,14H2,(H,29,37)(H,28,30,31)/t19-,22-,23-,27-/m1/s1
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n/an/an/an/a 18n/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Agonist activity at human A2BAR expressed in FlpIn-CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation preincubated for 40 min...


J Med Chem 61: 2087-2103 (2018)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50150077
PNG
(2-((1H-imidazol-2-yl)methylthio)-6-amino-4-phenylp...)
Show SMILES Nc1nc(SCc2ncc[nH]2)c(C#N)c(-c2ccccc2)c1C#N
Show InChI InChI=1S/C17H12N6S/c18-8-12-15(11-4-2-1-3-5-11)13(9-19)17(23-16(12)20)24-10-14-21-6-7-22-14/h1-7H,10H2,(H2,20,23)(H,21,22)
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n/an/an/an/a 19n/an/an/an/a



University of Leiden

Curated by ChEMBL


Assay Description
Agonistic activity against human adenosine A2B receptor expressed in CHO cells


J Med Chem 47: 3707-9 (2004)


Article DOI: 10.1021/jm049947s
BindingDB Entry DOI: 10.7270/Q2833SS3
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50263203
PNG
(CHEMBL4077152)
Show SMILES Nc1sc(c(c1C(=O)c1ccccc1)-c1cccc(c1)C(F)(F)F)-c1ccc(cc1)C(=O)NCCCCCCNc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C41H39ClF3N7O6S/c42-40-50-36(30-37(51-40)52(21-49-30)39-33(56)32(55)27(20-53)58-39)47-17-6-1-2-7-18-48-38(57)24-15-13-23(14-16-24)34-28(25-11-8-12-26(19-25)41(43,44)45)29(35(46)59-34)31(54)22-9-4-3-5-10-22/h3-5,8-16,19,21,27,32-33,39,53,55-56H,1-2,6-7,17-18,20,46H2,(H,48,57)(H,47,50,51)/t27-,32-,33-,39-/m1/s1
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n/an/an/an/a 19n/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Agonist activity at human A2BAR expressed in FlpIn-CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation preincubated for 40 min...


J Med Chem 61: 2087-2103 (2018)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50282639
PNG
(CHEMBL4165135)
Show SMILES CCCc1cc(O)nc(SC(C)C(=O)Nc2cc(C)no2)n1
Show InChI InChI=1S/C14H18N4O3S/c1-4-5-10-7-11(19)16-14(15-10)22-9(3)13(20)17-12-6-8(2)18-21-12/h6-7,9H,4-5H2,1-3H3,(H,17,20)(H,15,16,19)
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n/an/an/an/a 23n/an/an/an/a



Universidade Estadual de Feira de Santana

Curated by ChEMBL


Assay Description
Antagonist activity at Adenosine receptor subtype 2B in human RBC assessed as change in erythrocyte morphology incubated for 3 hrs with occasional ge...


Eur J Med Chem 136: 487-496 (2017)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50086170
PNG
((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30)
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n/an/an/an/a 23n/an/an/an/a



Universidade Estadual de Feira de Santana

Curated by ChEMBL


Assay Description
Antagonist activity at Adenosine receptor subtype 2B in human RBC assessed as change in erythrocyte morphology incubated for 3 hrs with occasional ge...


Eur J Med Chem 136: 487-496 (2017)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50205588
PNG
((2S,3S,4R,5R)-N-ethyl-3,4-dihydroxy-5-(6-(4-(2-(4-...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(I)cc4)cc3)ncnc12
Show InChI InChI=1S/C26H26IN7O6/c1-2-28-25(38)22-20(36)21(37)26(40-22)34-13-31-19-23(29-12-30-24(19)34)33-16-7-9-17(10-8-16)39-11-18(35)32-15-5-3-14(27)4-6-15/h3-10,12-13,20-22,26,36-37H,2,11H2,1H3,(H,28,38)(H,32,35)(H,29,30,33)/t20-,21+,22-,26+/m0/s1
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n/an/an/an/a 30.2n/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of cAMP production


Bioorg Med Chem 15: 2514-27 (2007)


Article DOI: 10.1016/j.bmc.2007.01.055
BindingDB Entry DOI: 10.7270/Q2R78G14
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50458369
PNG
(CHEMBL4202825)
Show SMILES NC(=O)CSc1nc(N)c(C#N)c(-c2ccc(OCC3CC3)cc2)c1C#N
Show InChI InChI=1S/C19H17N5O2S/c20-7-14-17(12-3-5-13(6-4-12)26-9-11-1-2-11)15(8-21)19(24-18(14)23)27-10-16(22)25/h3-6,11H,1-2,9-10H2,(H2,22,25)(H2,23,24)
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n/an/an/an/a 31n/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2B receptor expressed in CHO cell membranes assessed as induction of cAMP accumulation by AlphaScreen assay


Eur J Med Chem 150: 127-139 (2018)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM191779
PNG
(US9187428, 7)
Show SMILES CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(OCC(C)(C)O)cc3)c2C#N)ccn1
Show InChI InChI=1S/C25H24N6O3S/c1-25(2,33)14-34-17-6-4-16(5-7-17)21-18(11-26)22(28)31-24(19(21)12-27)35-13-15-8-9-30-20(10-15)23(32)29-3/h4-10,33H,13-14H2,1-3H3,(H2,28,31)(H,29,32)
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US Patent
n/an/an/an/a 32n/an/a7.437



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 A2b


(Homo sapiens (Human))
BDBM50205579
PNG
((2S,3S,4R,5R)-N-ethyl-3,4-dihydroxy-5-(6-(4-(2-oxo...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccncc4)cc3)ncnc12
Show InChI InChI=1S/C25H26N8O6/c1-2-27-24(37)21-19(35)20(36)25(39-21)33-13-30-18-22(28-12-29-23(18)33)32-14-3-5-16(6-4-14)38-11-17(34)31-15-7-9-26-10-8-15/h3-10,12-13,19-21,25,35-36H,2,11H2,1H3,(H,27,37)(H,26,31,34)(H,28,29,32)/t19-,20+,21-,25+/m0/s1
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n/an/an/an/a 32.3n/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of cAMP production


Bioorg Med Chem 15: 2514-27 (2007)


Article DOI: 10.1016/j.bmc.2007.01.055
BindingDB Entry DOI: 10.7270/Q2R78G14
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50205586
PNG
((2S,3S,4R,5R)-N-ethyl-3,4-dihydroxy-5-(6-(4-(2-(4-...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(OC)cc4)cc3)ncnc12
Show InChI InChI=1S/C27H29N7O7/c1-3-28-26(38)23-21(36)22(37)27(41-23)34-14-31-20-24(29-13-30-25(20)34)33-16-6-10-18(11-7-16)40-12-19(35)32-15-4-8-17(39-2)9-5-15/h4-11,13-14,21-23,27,36-37H,3,12H2,1-2H3,(H,28,38)(H,32,35)(H,29,30,33)/t21-,22+,23-,27+/m0/s1
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n/an/an/an/a 32.4n/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of cAMP production


Bioorg Med Chem 15: 2514-27 (2007)


Article DOI: 10.1016/j.bmc.2007.01.055
BindingDB Entry DOI: 10.7270/Q2R78G14
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50150075
PNG
(2-Amino-6-(1H-imidazol-2-ylmethylsulfanyl)-4-(3-me...)
Show SMILES COc1cccc(c1)-c1c(C#N)c(N)nc(SCc2ncc[nH]2)c1C#N
Show InChI InChI=1S/C18H14N6OS/c1-25-12-4-2-3-11(7-12)16-13(8-19)17(21)24-18(14(16)9-20)26-10-15-22-5-6-23-15/h2-7H,10H2,1H3,(H2,21,24)(H,22,23)
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n/an/an/an/a 34n/an/an/an/a



University of Leiden

Curated by ChEMBL


Assay Description
Agonistic activity against human adenosine A2B receptor expressed in CHO cells


J Med Chem 47: 3707-9 (2004)


Article DOI: 10.1021/jm049947s
BindingDB Entry DOI: 10.7270/Q2833SS3
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50282637
PNG
(CHEMBL4167064)
Show SMILES CC(C)c1noc(OCC(=O)NCc2ccc3OCOc3c2)n1
Show InChI InChI=1S/C15H17N3O5/c1-9(2)14-17-15(23-18-14)20-7-13(19)16-6-10-3-4-11-12(5-10)22-8-21-11/h3-5,9H,6-8H2,1-2H3,(H,16,19)
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n/an/an/an/a 35n/an/an/an/a



Universidade Estadual de Feira de Santana

Curated by ChEMBL


Assay Description
Antagonist activity at Adenosine receptor subtype 2B in human RBC assessed as change in erythrocyte morphology incubated for 3 hrs with occasional ge...


Eur J Med Chem 136: 487-496 (2017)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50282636
PNG
(CHEMBL4163380)
Show SMILES Cc1cc(NC(=O)CNc2ccc3OC(F)(F)Oc3c2)on1
Show InChI InChI=1S/C13H11F2N3O4/c1-7-4-12(22-18-7)17-11(19)6-16-8-2-3-9-10(5-8)21-13(14,15)20-9/h2-5,16H,6H2,1H3,(H,17,19)
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n/an/an/an/a 35n/an/an/an/a



Universidade Estadual de Feira de Santana

Curated by ChEMBL


Assay Description
Antagonist activity at Adenosine receptor subtype 2B in human RBC assessed as change in erythrocyte morphology incubated for 3 hrs with occasional ge...


Eur J Med Chem 136: 487-496 (2017)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50263208
PNG
(CHEMBL4101850)
Show SMILES Nc1sc(c(c1C(=O)c1ccccc1)-c1cccc(c1)C(F)(F)F)-c1cccc(c1)C(=O)NCCCCCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C41H40F3N7O6S/c42-41(43,44)27-15-9-12-24(19-27)29-30(32(53)23-10-4-3-5-11-23)36(45)58-35(29)25-13-8-14-26(18-25)39(56)47-17-7-2-1-6-16-46-37-31-38(49-21-48-37)51(22-50-31)40-34(55)33(54)28(20-52)57-40/h3-5,8-15,18-19,21-22,28,33-34,40,52,54-55H,1-2,6-7,16-17,20,45H2,(H,47,56)(H,46,48,49)/t28-,33-,34-,40-/m1/s1
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n/an/an/an/a 35n/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Agonist activity at human A2BAR expressed in FlpIn-CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation preincubated for 40 min...


J Med Chem 61: 2087-2103 (2018)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50205584
PNG
((2S,3S,4R,5R)-5-(6-(4-(2-(benzo[d][1,3]dioxol-5-yl...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc5OCOc5c4)cc3)ncnc12
Show InChI InChI=1S/C27H27N7O8/c1-2-28-26(38)23-21(36)22(37)27(42-23)34-12-31-20-24(29-11-30-25(20)34)33-14-3-6-16(7-4-14)39-10-19(35)32-15-5-8-17-18(9-15)41-13-40-17/h3-9,11-12,21-23,27,36-37H,2,10,13H2,1H3,(H,28,38)(H,32,35)(H,29,30,33)/t21-,22+,23-,27+/m0/s1
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n/an/an/an/a 35.5n/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of cAMP production


Bioorg Med Chem 15: 2514-27 (2007)


Article DOI: 10.1016/j.bmc.2007.01.055
BindingDB Entry DOI: 10.7270/Q2R78G14
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
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n/an/an/an/a 38n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as effect on cAMP production by luciferase reporter gene 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 A2b


(Homo sapiens (Human))
BDBM50458351
PNG
(CHEMBL4206762)
Show SMILES CCOc1ccc(cc1)-c1c(C#N)c(N)nc(SCC(N)=O)c1C#N
Show InChI InChI=1S/C17H15N5O2S/c1-2-24-11-5-3-10(4-6-11)15-12(7-18)16(21)22-17(13(15)8-19)25-9-14(20)23/h3-6H,2,9H2,1H3,(H2,20,23)(H2,21,22)
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n/an/an/an/a 38n/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2B receptor expressed in CHO cell membranes assessed as induction of cAMP accumulation by AlphaScreen assay


Eur J Med Chem 150: 127-139 (2018)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50205581
PNG
((2S,3S,4R,5R)-5-(2-chloro-6-(4-(2-oxo-2-(phenylami...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccccc4)cc3)nc(Cl)nc12
Show InChI InChI=1S/C26H26ClN7O6/c1-2-28-24(38)21-19(36)20(37)25(40-21)34-13-29-18-22(32-26(27)33-23(18)34)31-15-8-10-16(11-9-15)39-12-17(35)30-14-6-4-3-5-7-14/h3-11,13,19-21,25,36-37H,2,12H2,1H3,(H,28,38)(H,30,35)(H,31,32,33)/t19-,20+,21-,25+/m0/s1
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n/an/an/an/a 42.6n/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of cAMP production


Bioorg Med Chem 15: 2514-27 (2007)


Article DOI: 10.1016/j.bmc.2007.01.055
BindingDB Entry DOI: 10.7270/Q2R78G14
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50205593
PNG
((2S,3S,4R,5R)-5-(6-(4-(2-(3,4-dimethoxyphenylamino...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(OC)c(OC)c4)cc3)ncnc12
Show InChI InChI=1S/C28H31N7O8/c1-4-29-27(39)24-22(37)23(38)28(43-24)35-14-32-21-25(30-13-31-26(21)35)34-15-5-8-17(9-6-15)42-12-20(36)33-16-7-10-18(40-2)19(11-16)41-3/h5-11,13-14,22-24,28,37-38H,4,12H2,1-3H3,(H,29,39)(H,33,36)(H,30,31,34)/t22-,23+,24-,28+/m0/s1
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n/an/an/an/a 45.4n/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of cAMP production


Bioorg Med Chem 15: 2514-27 (2007)


Article DOI: 10.1016/j.bmc.2007.01.055
BindingDB Entry DOI: 10.7270/Q2R78G14
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM191785
PNG
(US9187428, 13)
Show SMILES Nc1nc(SCc2ccnc(c2)C(=O)NC2CC2)c(C#N)c(-c2ccccc2)c1C#N
Show InChI InChI=1S/C23H18N6OS/c24-11-17-20(15-4-2-1-3-5-15)18(12-25)23(29-21(17)26)31-13-14-8-9-27-19(10-14)22(30)28-16-6-7-16/h1-5,8-10,16H,6-7,13H2,(H2,26,29)(H,28,30)
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US Patent
n/an/an/an/a 46n/an/a7.437



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 A2b


(Homo sapiens (Human))
BDBM50282642
PNG
(CHEMBL4173768)
Show SMILES CC(OC(=O)c1nccnc1N)C(=O)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C16H16N4O5/c1-9(25-16(22)13-14(17)19-5-4-18-13)15(21)20-7-10-2-3-11-12(6-10)24-8-23-11/h2-6,9H,7-8H2,1H3,(H2,17,19)(H,20,21)
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n/an/an/an/a 47n/an/an/an/a



Universidade Estadual de Feira de Santana

Curated by ChEMBL


Assay Description
Antagonist activity at Adenosine receptor subtype 2B in human RBC assessed as change in erythrocyte morphology incubated for 3 hrs with occasional ge...


Eur J Med Chem 136: 487-496 (2017)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(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 51n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as effect on cAMP production by luciferase reporter gene 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 A2b


(Homo sapiens (Human))
BDBM50458368
PNG
(CHEMBL4215091)
Show SMILES Nc1nc(SCc2ncn[nH]2)c(C#N)c(-c2ccc(OCC3CC3)cc2)c1C#N
Show InChI InChI=1S/C20H17N7OS/c21-7-15-18(13-3-5-14(6-4-13)28-9-12-1-2-12)16(8-22)20(26-19(15)23)29-10-17-24-11-25-27-17/h3-6,11-12H,1-2,9-10H2,(H2,23,26)(H,24,25,27)
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n/an/an/an/a 51n/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2B receptor expressed in CHO cell membranes assessed as induction of cAMP accumulation by AlphaScreen assay


Eur J Med Chem 150: 127-139 (2018)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50205590
PNG
((2S,3S,4R,5R)-5-(6-(4-(2-(3,5-dimethoxyphenylamino...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4cc(OC)cc(OC)c4)cc3)ncnc12
Show InChI InChI=1S/C28H31N7O8/c1-4-29-27(39)24-22(37)23(38)28(43-24)35-14-32-21-25(30-13-31-26(21)35)34-15-5-7-17(8-6-15)42-12-20(36)33-16-9-18(40-2)11-19(10-16)41-3/h5-11,13-14,22-24,28,37-38H,4,12H2,1-3H3,(H,29,39)(H,33,36)(H,30,31,34)/t22-,23+,24-,28+/m0/s1
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n/an/an/an/a 53.6n/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of cAMP production


Bioorg Med Chem 15: 2514-27 (2007)


Article DOI: 10.1016/j.bmc.2007.01.055
BindingDB Entry DOI: 10.7270/Q2R78G14
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50208817
PNG
((2S,3S,4R,5R)-N-ethyl-5-(6-guanidino-9H-purin-9-yl...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N=C(N)N)ncnc12
Show InChI InChI=1S/C13H18N8O4/c1-2-16-11(24)8-6(22)7(23)12(25-8)21-4-19-5-9(20-13(14)15)17-3-18-10(5)21/h3-4,6-8,12,22-23H,2H2,1H3,(H,16,24)(H4,14,15,17,18,20)/t6-,7+,8-,12+/m0/s1
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n/an/an/an/a 54.5n/an/an/an/a



National Institutes of Health



Assay Description
Binding affinity of ligand at human adenosine receptors expressed in CHO cell.


Chem Biol 12: 237-47 (2005)


Article DOI: 10.1016/j.chembiol.2004.12.010
BindingDB Entry DOI: 10.7270/Q2P26WK5
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50208817
PNG
((2S,3S,4R,5R)-N-ethyl-5-(6-guanidino-9H-purin-9-yl...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N=C(N)N)ncnc12
Show InChI InChI=1S/C13H18N8O4/c1-2-16-11(24)8-6(22)7(23)12(25-8)21-4-19-5-9(20-13(14)15)17-3-18-10(5)21/h3-4,6-8,12,22-23H,2H2,1H3,(H,16,24)(H4,14,15,17,18,20)/t6-,7+,8-,12+/m0/s1
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n/an/an/an/a 54.5n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of cAMP production


J Med Chem 50: 1810-27 (2007)


Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50263179
PNG
(CHEMBL4096796)
Show SMILES Nc1ccc(s1)-c1cccc(c1)C(=O)NCCCCCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C27H33N7O5S/c28-20-9-8-19(40-20)16-6-5-7-17(12-16)26(38)30-11-4-2-1-3-10-29-24-21-25(32-14-31-24)34(15-33-21)27-23(37)22(36)18(13-35)39-27/h5-9,12,14-15,18,22-23,27,35-37H,1-4,10-11,13,28H2,(H,30,38)(H,29,31,32)/t18-,22-,23-,27-/m1/s1
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n/an/an/an/a 60n/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Agonist activity at human A2BAR expressed in FlpIn-CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation preincubated for 40 min...


J Med Chem 61: 2087-2103 (2018)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50263205
PNG
(CHEMBL4063841)
Show SMILES Nc1sc(c(c1C(=O)c1ccccc1)-c1cccc(c1)C(F)(F)F)-c1ccc(cc1)C(=O)NCCCCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C40H38F3N7O6S/c41-40(42,43)26-11-7-10-25(18-26)28-29(31(52)22-8-3-1-4-9-22)35(44)57-34(28)23-12-14-24(15-13-23)38(55)46-17-6-2-5-16-45-36-30-37(48-20-47-36)50(21-49-30)39-33(54)32(53)27(19-51)56-39/h1,3-4,7-15,18,20-21,27,32-33,39,51,53-54H,2,5-6,16-17,19,44H2,(H,46,55)(H,45,47,48)/t27-,32-,33-,39-/m1/s1
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n/an/an/an/a 63n/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Agonist activity at human A2BAR expressed in FlpIn-CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation preincubated for 40 min...


J Med Chem 61: 2087-2103 (2018)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM191778
PNG
(US9187428, 6)
Show SMILES CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc4OCCOc4c3)c2C#N)ccn1
Show InChI InChI=1S/C23H18N6O3S/c1-27-22(30)17-8-13(4-5-28-17)12-33-23-16(11-25)20(15(10-24)21(26)29-23)14-2-3-18-19(9-14)32-7-6-31-18/h2-5,8-9H,6-7,12H2,1H3,(H2,26,29)(H,27,30)
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US Patent
n/an/an/an/a 71n/an/a7.437



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 A2b


(Homo sapiens (Human))
BDBM50263204
PNG
(CHEMBL4085418)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCNC(=O)c3ccc(cc3)-c3sc(N)c(C(=O)c4ccccc4)c3-c3cccc(c3)C(F)(F)F)ncnc12
Show InChI InChI=1S/C43H43F3N8O6S/c1-2-48-41(59)35-33(56)34(57)42(60-35)54-23-53-31-38(51-22-52-39(31)54)49-19-8-3-4-9-20-50-40(58)26-17-15-25(16-18-26)36-29(27-13-10-14-28(21-27)43(44,45)46)30(37(47)61-36)32(55)24-11-6-5-7-12-24/h5-7,10-18,21-23,33-35,42,56-57H,2-4,8-9,19-20,47H2,1H3,(H,48,59)(H,50,58)(H,49,51,52)/t33-,34+,35-,42+/m0/s1
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n/an/an/an/a 76n/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Agonist activity at human A2BAR expressed in FlpIn-CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation preincubated for 40 min...


J Med Chem 61: 2087-2103 (2018)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50202570
PNG
(1-deoxy-1-{6-[N'-(furan-2-carbonyl)-hydrazino]-9H-...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccco3)ncnc12
Show InChI InChI=1S/C17H19N7O6/c1-2-18-16(28)12-10(25)11(26)17(30-12)24-7-21-9-13(19-6-20-14(9)24)22-23-15(27)8-4-3-5-29-8/h3-7,10-12,17,25-26H,2H2,1H3,(H,18,28)(H,23,27)(H,19,20,22)/t10-,11+,12-,17+/m0/s1
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n/an/an/an/a 82n/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of cAMP levels


J Med Chem 50: 374-80 (2007)


Article DOI: 10.1021/jm061170a
BindingDB Entry DOI: 10.7270/Q2F76DDP
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50458364
PNG
(CHEMBL4203420)
Show SMILES Nc1nc(SCc2ccn[nH]2)c(C#N)c(-c2ccc(OCC3CC3)cc2)c1C#N
Show InChI InChI=1S/C21H18N6OS/c22-9-17-19(14-3-5-16(6-4-14)28-11-13-1-2-13)18(10-23)21(26-20(17)24)29-12-15-7-8-25-27-15/h3-8,13H,1-2,11-12H2,(H2,24,26)(H,25,27)
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n/an/an/an/a 84n/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2B receptor expressed in CHO cell membranes assessed as induction of cAMP accumulation by AlphaScreen assay


Eur J Med Chem 150: 127-139 (2018)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50263182
PNG
(CHEMBL4089092)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCNC(=O)c3ccc(cc3)-c3sccc3-c3cccc(c3)C(F)(F)F)ncnc12
Show InChI InChI=1S/C34H35F3N6O5S/c35-34(36,37)23-7-5-6-22(16-23)24-12-15-49-29(24)20-8-10-21(11-9-20)32(47)39-14-4-2-1-3-13-38-30-26-31(41-18-40-30)43(19-42-26)33-28(46)27(45)25(17-44)48-33/h5-12,15-16,18-19,25,27-28,33,44-46H,1-4,13-14,17H2,(H,39,47)(H,38,40,41)/t25-,27-,28-,33-/m1/s1
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n/an/an/an/a 91n/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Agonist activity at human A2BAR expressed in FlpIn-CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation preincubated for 40 min...


J Med Chem 61: 2087-2103 (2018)

More data for this
Ligand-Target Pair
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