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Compile Data Set for Download or QSAR

Found 355 hits of ec50 data for polymerid = 4341   
Target
(Institution)
LigandTarget
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)

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/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)

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)

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)

More data for this
Ligand-Target Pair
Adenosine receptors; A2b & A3


(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)

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)

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)

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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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)

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)

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)

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)

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)

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)

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)

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/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)

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)

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)

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)

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)

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)

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)

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)

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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n/an/an/an/a 46n/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)

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)

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)

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)

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)

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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n/an/an/an/a 71n/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)

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)

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 104n/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)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM191787
PNG
(US9187428, 15)
Show SMILES OC(=O)c1cccc(CSc2ncc(C#N)c(-c3ccccc3)c2C#N)c1
Show InChI InChI=1S/C21H13N3O2S/c22-10-17-12-24-20(18(11-23)19(17)15-6-2-1-3-7-15)27-13-14-5-4-8-16(9-14)21(25)26/h1-9,12H,13H2,(H,25,26)
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n/an/an/an/a 106n/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)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50205582
PNG
(1-deoxy-1-[6-{4-[(2-trifluoromethyl-phenylcarbamoy...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccccc4C(F)(F)F)cc3)ncnc12
Show InChI InChI=1S/C27H26F3N7O6/c1-2-31-25(41)22-20(39)21(40)26(43-22)37-13-34-19-23(32-12-33-24(19)37)35-14-7-9-15(10-8-14)42-11-18(38)36-17-6-4-3-5-16(17)27(28,29)30/h3-10,12-13,20-22,26,39-40H,2,11H2,1H3,(H,31,41)(H,36,38)(H,32,33,35)/t20-,21+,22-,26+/m0/s1
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n/an/an/an/a 107n/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)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50208794
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(2-(6-bromo-1H-indol-3-...)
Show SMILES Nc1nc(OCCc2c[nH]c3cc(Br)ccc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H21BrN6O5/c21-10-1-2-11-9(6-23-12(11)5-10)3-4-31-20-25-17(22)14-18(26-20)27(8-24-14)19-16(30)15(29)13(7-28)32-19/h1-2,5-6,8,13,15-16,19,23,28-30H,3-4,7H2,(H2,22,25,26)/t13-,15-,16-,19-/m1/s1
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n/an/an/an/a 109n/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)

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 110n/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)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(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 120n/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)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM191802
PNG
(US9187428, 30)
Show SMILES CNC(=O)c1cc(CSc2ncc(C#N)c(-c3ccc(OCCO)cc3)c2C#N)ccn1
Show InChI InChI=1S/C23H19N5O3S/c1-26-22(30)20-10-15(6-7-27-20)14-32-23-19(12-25)21(17(11-24)13-28-23)16-2-4-18(5-3-16)31-9-8-29/h2-7,10,13,29H,8-9,14H2,1H3,(H,26,30)
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n/an/an/an/a 122n/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)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50385943
PNG
(CHEMBL2042299)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(N)cc3)nc12
Show InChI InChI=1S/C20H26N8O4/c1-2-23-18(31)15-13(29)14(30)19(32-15)28-9-25-12-16(22)26-20(27-17(12)28)24-8-7-10-3-5-11(21)6-4-10/h3-6,9,13-15,19,29-30H,2,7-8,21H2,1H3,(H,23,31)(H3,22,24,26,27)/t13-,14+,15-,19+/m0/s1
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n/an/an/an/a 126n/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)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50208794
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(2-(6-bromo-1H-indol-3-...)
Show SMILES Nc1nc(OCCc2c[nH]c3cc(Br)ccc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H21BrN6O5/c21-10-1-2-11-9(6-23-12(11)5-10)3-4-31-20-25-17(22)14-18(26-20)27(8-24-14)19-16(30)15(29)13(7-28)32-19/h1-2,5-6,8,13,15-16,19,23,28-30H,3-4,7H2,(H2,22,25,26)/t13-,15-,16-,19-/m1/s1
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n/an/an/an/a 128n/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)

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 140n/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)

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 140n/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)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50376934
PNG
(CHEMBL261546)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccccc4)cc3)nc(OCCc3c[nH]c4cc(Br)ccc34)nc12
Show InChI InChI=1S/C34H32BrN7O7/c35-20-6-11-24-19(15-36-25(24)14-20)12-13-47-34-40-31(28-32(41-34)42(18-37-28)33-30(46)29(45)26(16-43)49-33)39-22-7-9-23(10-8-22)48-17-27(44)38-21-4-2-1-3-5-21/h1-11,14-15,18,26,29-30,33,36,43,45-46H,12-13,16-17H2,(H,38,44)(H,39,40,41)/t26-,29-,30-,33-/m1/s1
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n/an/an/an/a 143n/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 adenylate cyclase


J Med Chem 51: 2088-99 (2008)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50376934
PNG
(CHEMBL261546)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccccc4)cc3)nc(OCCc3c[nH]c4cc(Br)ccc34)nc12
Show InChI InChI=1S/C34H32BrN7O7/c35-20-6-11-24-19(15-36-25(24)14-20)12-13-47-34-40-31(28-32(41-34)42(18-37-28)33-30(46)29(45)26(16-43)49-33)39-22-7-9-23(10-8-22)48-17-27(44)38-21-4-2-1-3-5-21/h1-11,14-15,18,26,29-30,33,36,43,45-46H,12-13,16-17H2,(H,38,44)(H,39,40,41)/t26-,29-,30-,33-/m1/s1
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n/an/an/an/a 143n/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 adenylate cyclase


J Med Chem 51: 2088-99 (2008)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50385958
PNG
(CHEMBL2042298)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccccc3)nc12
Show InChI InChI=1S/C20H25N7O4/c1-2-22-18(30)15-13(28)14(29)19(31-15)27-10-24-12-16(21)25-20(26-17(12)27)23-9-8-11-6-4-3-5-7-11/h3-7,10,13-15,19,28-29H,2,8-9H2,1H3,(H,22,30)(H3,21,23,25,26)/t13-,14+,15-,19+/m0/s1
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n/an/an/an/a 145n/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)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50205583
PNG
((2S,3S,4R,5R)-5-(6-(4-(2-(benzylamino)-2-oxoethoxy...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)NCc4ccccc4)cc3)ncnc12
Show InChI InChI=1S/C27H29N7O6/c1-2-28-26(38)23-21(36)22(37)27(40-23)34-15-32-20-24(30-14-31-25(20)34)33-17-8-10-18(11-9-17)39-13-19(35)29-12-16-6-4-3-5-7-16/h3-11,14-15,21-23,27,36-37H,2,12-13H2,1H3,(H,28,38)(H,29,35)(H,30,31,33)/t21-,22+,23-,27+/m0/s1
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n/an/an/an/a 150n/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)

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 155n/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)

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 160n/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)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM191873
PNG
(US9187428, 101)
Show SMILES NCCNC(=O)c1cccc(CSc2nc(N)c(C#N)c(-c3ccccc3)c2C#N)c1
Show InChI InChI=1S/C23H20N6OS/c24-9-10-28-22(30)17-8-4-5-15(11-17)14-31-23-19(13-26)20(16-6-2-1-3-7-16)18(12-25)21(27)29-23/h1-8,11H,9-10,14,24H2,(H2,27,29)(H,28,30)
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US Patent
n/an/an/an/a 163n/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)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM191826
PNG
(US9187428, 54)
Show SMILES CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(OCCN)cc3)c2C#N)ccn1
Show InChI InChI=1S/C23H21N7O2S/c1-28-22(31)19-10-14(6-8-29-19)13-33-23-18(12-26)20(17(11-25)21(27)30-23)15-2-4-16(5-3-15)32-9-7-24/h2-6,8,10H,7,9,13,24H2,1H3,(H2,27,30)(H,28,31)
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US Patent
n/an/an/an/a 169n/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)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50376932
PNG
(CHEMBL410104)
Show SMILES NNc1nc(OCCc2c[nH]c3cc(Br)ccc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H22BrN7O5/c21-10-1-2-11-9(6-23-12(11)5-10)3-4-32-20-25-17(27-22)14-18(26-20)28(8-24-14)19-16(31)15(30)13(7-29)33-19/h1-2,5-6,8,13,15-16,19,23,29-31H,3-4,7,22H2,(H,25,26,27)/t13-,15-,16-,19-/m1/s1
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n/an/an/an/a 174n/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 adenylate cyclase


J Med Chem 51: 2088-99 (2008)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50376932
PNG
(CHEMBL410104)
Show SMILES NNc1nc(OCCc2c[nH]c3cc(Br)ccc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H22BrN7O5/c21-10-1-2-11-9(6-23-12(11)5-10)3-4-32-20-25-17(27-22)14-18(26-20)28(8-24-14)19-16(31)15(30)13(7-29)33-19/h1-2,5-6,8,13,15-16,19,23,29-31H,3-4,7,22H2,(H,25,26,27)/t13-,15-,16-,19-/m1/s1
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n/an/an/an/a 174n/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 adenylate cyclase


J Med Chem 51: 2088-99 (2008)

More data for this
Ligand-Target Pair
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