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Compile Data Set for Download or QSAR

Found 564 hits of ec50 for UniProtKB: P29275   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine A2 receptor


(Homo sapiens (Human))
BDBM50368543
PNG
(CHEMBL605668)
Show SMILES Cc1ccc(CCOc2nc(N)c3ncn(C4O[C@@H](CO)[C@H](O)[C@@H]4O)c3n2)cc1
Show InChI InChI=1S/C19H23N5O5/c1-10-2-4-11(5-3-10)6-7-28-19-22-16(20)13-17(23-19)24(9-21-13)18-15(27)14(26)12(8-25)29-18/h2-5,9,12,14-15,18,25-27H,6-8H2,1H3,(H2,20,22,23)/t12-,14-,15-,18?/m0/s1
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n/an/an/an/a 0.191n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Concentration required for coronary arteries vasodilation at the Adenosine A2 receptor in langendorff guinea pig heart preparation


J Med Chem 34: 1340-4 (1991)


Article DOI: 10.1021/jm00108a015
BindingDB Entry DOI: 10.7270/Q24T6KJM
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Homo sapiens (Human))
BDBM50230152
PNG
(BINODENOSON | Binodenoson | Corvue | MRE0470 | WRC...)
Show SMILES Nc1nc(N\N=C\C2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H25N7O4/c18-14-11-15(22-17(21-14)23-20-6-9-4-2-1-3-5-9)24(8-19-11)16-13(27)12(26)10(7-25)28-16/h6,8-10,12-13,16,25-27H,1-5,7H2,(H3,18,21,22,23)/b20-6+/t10-,12-,13-,16-/m1/s1
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n/an/an/an/a 0.257n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
In vitro effect on coronary vasodilation in guinea pig heart.


J Med Chem 35: 4557-61 (1993)


Article DOI: 10.1021/jm00102a007
BindingDB Entry DOI: 10.7270/Q21Z43BT
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Homo sapiens (Human))
BDBM50421975
PNG
(CHEMBL611607)
Show SMILES Nc1nc(N=NCC2CCC=CC2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H23N7O4/c18-14-11-15(22-17(21-14)23-20-6-9-4-2-1-3-5-9)24(8-19-11)16-13(27)12(26)10(7-25)28-16/h1-2,8-10,12-13,16,25-27H,3-7H2,(H2,18,21,22)/t9?,10-,12-,13-,16?/m1/s1
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n/an/an/an/a 0.324n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
In vitro effect on coronary vasodilation in guinea pig heart.


J Med Chem 35: 4557-61 (1993)


Article DOI: 10.1021/jm00102a007
BindingDB Entry DOI: 10.7270/Q21Z43BT
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Homo sapiens (Human))
BDBM50421890
PNG
(CHEMBL2311197)
Show SMILES Nc1nc(OCCc2ccc(Cl)cc2)nc2n(cnc12)[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C18H20ClN5O5/c19-10-3-1-9(2-4-10)5-6-28-18-22-15(20)12-16(23-18)24(8-21-12)17-14(27)13(26)11(7-25)29-17/h1-4,8,11,13-14,17,25-27H,5-7H2,(H2,20,22,23)/t11-,13-,14-,17-/m0/s1
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n/an/an/an/a 0.389n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Concentration required for coronary arteries vasodilation at the Adenosine A2 receptor in langendorff guinea pig heart preparation


J Med Chem 34: 1340-4 (1991)


Article DOI: 10.1021/jm00108a015
BindingDB Entry DOI: 10.7270/Q24T6KJM
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Homo sapiens (Human))
BDBM50421980
PNG
(CHEMBL2113592)
Show SMILES CC(C)CCN=Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C15H23N7O4/c1-7(2)3-4-18-21-15-19-12(16)9-13(20-15)22(6-17-9)14-11(25)10(24)8(5-23)26-14/h6-8,10-11,14,23-25H,3-5H2,1-2H3,(H2,16,19,20)/t8-,10-,11-,14-/m1/s1
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n/an/an/an/a 0.468n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
In vitro effect on coronary vasodilation in guinea pig heart.


J Med Chem 35: 4557-61 (1993)


Article DOI: 10.1021/jm00102a007
BindingDB Entry DOI: 10.7270/Q21Z43BT
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Homo sapiens (Human))
BDBM50406504
PNG
(CHEMBL605878)
Show SMILES Nc1nc(OCCc2ccc3ccccc3c2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C22H23N5O5/c23-19-16-20(27(11-24-16)21-18(30)17(29)15(10-28)32-21)26-22(25-19)31-8-7-12-5-6-13-3-1-2-4-14(13)9-12/h1-6,9,11,15,17-18,21,28-30H,7-8,10H2,(H2,23,25,26)/t15-,17-,18-,21?/m0/s1
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n/an/an/an/a 0.501n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Concentration required for coronary arteries vasodilation at the Adenosine A2 receptor in langendorff guinea pig heart preparation


J Med Chem 34: 1340-4 (1991)


Article DOI: 10.1021/jm00108a015
BindingDB Entry DOI: 10.7270/Q24T6KJM
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Homo sapiens (Human))
BDBM50421982
PNG
(CHEMBL608663)
Show SMILES Nc1nc(N=NCCC2CCCCC2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H27N7O4/c19-15-12-16(25(9-20-12)17-14(28)13(27)11(8-26)29-17)23-18(22-15)24-21-7-6-10-4-2-1-3-5-10/h9-11,13-14,17,26-28H,1-8H2,(H2,19,22,23)/t11-,13-,14-,17?/m1/s1
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n/an/an/an/a 0.692n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
In vitro effect on coronary vasodilation in guinea pig heart.


J Med Chem 35: 4557-61 (1993)


Article DOI: 10.1021/jm00102a007
BindingDB Entry DOI: 10.7270/Q21Z43BT
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Homo sapiens (Human))
BDBM50406519
PNG
(CHEMBL606080)
Show SMILES Nc1nc(OCCc2ccc(F)cc2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C18H20FN5O5/c19-10-3-1-9(2-4-10)5-6-28-18-22-15(20)12-16(23-18)24(8-21-12)17-14(27)13(26)11(7-25)29-17/h1-4,8,11,13-14,17,25-27H,5-7H2,(H2,20,22,23)/t11-,13-,14-,17?/m0/s1
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n/an/an/an/a 0.871n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Concentration required for coronary arteries vasodilation at the A2 adenosine receptor in langendorff guinea pig heart preparation


J Med Chem 34: 1340-4 (1991)


Article DOI: 10.1021/jm00108a015
BindingDB Entry DOI: 10.7270/Q24T6KJM
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Homo sapiens (Human))
BDBM50421985
PNG
(CHEMBL611916)
Show SMILES CCCCCN=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C15H23N7O4/c1-2-3-4-5-18-21-15-19-12(16)9-13(20-15)22(7-17-9)14-11(25)10(24)8(6-23)26-14/h7-8,10-11,14,23-25H,2-6H2,1H3,(H2,16,19,20)/t8-,10-,11-,14?/m1/s1
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n/an/an/an/a 1n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
In vitro effect on coronary vasodilation in guinea pig heart.


J Med Chem 35: 4557-61 (1993)


Article DOI: 10.1021/jm00102a007
BindingDB Entry DOI: 10.7270/Q21Z43BT
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Homo sapiens (Human))
BDBM50406499
PNG
(CHEMBL605463)
Show SMILES COc1ccc(CCOc2nc(N)c3ncn(C4O[C@@H](CO)[C@H](O)[C@@H]4O)c3n2)cc1
Show InChI InChI=1S/C19H23N5O6/c1-28-11-4-2-10(3-5-11)6-7-29-19-22-16(20)13-17(23-19)24(9-21-13)18-15(27)14(26)12(8-25)30-18/h2-5,9,12,14-15,18,25-27H,6-8H2,1H3,(H2,20,22,23)/t12-,14-,15-,18?/m0/s1
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n/an/an/an/a 1.40n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Concentration required for coronary arteries vasodilation at the A2 adenosine receptor in langendorff guinea pig heart preparation


J Med Chem 34: 1340-4 (1991)


Article DOI: 10.1021/jm00108a015
BindingDB Entry DOI: 10.7270/Q24T6KJM
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Homo sapiens (Human))
BDBM50406511
PNG
(CHEMBL604836)
Show SMILES Cc1cccc(CCOc2nc(N)c3ncn(C4O[C@@H](CO)[C@H](O)[C@@H]4O)c3n2)c1
Show InChI InChI=1S/C19H23N5O5/c1-10-3-2-4-11(7-10)5-6-28-19-22-16(20)13-17(23-19)24(9-21-13)18-15(27)14(26)12(8-25)29-18/h2-4,7,9,12,14-15,18,25-27H,5-6,8H2,1H3,(H2,20,22,23)/t12-,14-,15-,18?/m0/s1
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n/an/an/an/a 1.60n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Concentration required for coronary arteries vasodilation at the Adenosine A2 receptor in langendorff guinea pig heart preparation


J Med Chem 34: 1340-4 (1991)


Article DOI: 10.1021/jm00108a015
BindingDB Entry DOI: 10.7270/Q24T6KJM
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Homo sapiens (Human))
BDBM50421983
PNG
(CHEMBL608966)
Show SMILES Nc1nc(N=NCCCC2CCCCC2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H29N7O4/c20-16-13-17(26(10-21-13)18-15(29)14(28)12(9-27)30-18)24-19(23-16)25-22-8-4-7-11-5-2-1-3-6-11/h10-12,14-15,18,27-29H,1-9H2,(H2,20,23,24)/t12-,14-,15-,18?/m1/s1
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n/an/an/an/a 1.80n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
In vitro effect on coronary vasodilation in guinea pig heart.


J Med Chem 35: 4557-61 (1993)


Article DOI: 10.1021/jm00102a007
BindingDB Entry DOI: 10.7270/Q21Z43BT
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Homo sapiens (Human))
BDBM50009509
PNG
((CGS 22,492) 2-[6-Amino-2-(2-cyclohexyl-ethylamino...)
Show SMILES Nc1nc(NCCC2CCCCC2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H28N6O4/c19-15-12-16(23-18(22-15)20-7-6-10-4-2-1-3-5-10)24(9-21-12)17-14(27)13(26)11(8-25)28-17/h9-11,13-14,17,25-27H,1-8H2,(H3,19,20,22,23)/t11-,13-,14-,17?/m1/s1
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n/an/an/an/a 1.90n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
In vitro effect on coronary vasodilation in guinea pig heart.


J Med Chem 35: 4557-61 (1993)


Article DOI: 10.1021/jm00102a007
BindingDB Entry DOI: 10.7270/Q21Z43BT
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Homo sapiens (Human))
BDBM50406503
PNG
(CHEMBL606081)
Show SMILES Nc1nc(OCCc2cccc(F)c2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C18H20FN5O5/c19-10-3-1-2-9(6-10)4-5-28-18-22-15(20)12-16(23-18)24(8-21-12)17-14(27)13(26)11(7-25)29-17/h1-3,6,8,11,13-14,17,25-27H,4-5,7H2,(H2,20,22,23)/t11-,13-,14-,17?/m0/s1
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n/an/an/an/a 1.90n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Concentration required for coronary arteries vasodilation at the A2 adenosine receptor in langendorff guinea pig heart preparation


J Med Chem 34: 1340-4 (1991)


Article DOI: 10.1021/jm00108a015
BindingDB Entry DOI: 10.7270/Q24T6KJM
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Homo sapiens (Human))
BDBM50421972
PNG
(CHEMBL611921)
Show SMILES CCCC(C)N=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C15H23N7O4/c1-3-4-7(2)20-21-15-18-12(16)9-13(19-15)22(6-17-9)14-11(25)10(24)8(5-23)26-14/h6-8,10-11,14,23-25H,3-5H2,1-2H3,(H2,16,18,19)/t7?,8-,10-,11-,14?/m1/s1
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n/an/an/an/a 2n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
In vitro effect on coronary vasodilation in guinea pig heart.


J Med Chem 35: 4557-61 (1993)


Article DOI: 10.1021/jm00102a007
BindingDB Entry DOI: 10.7270/Q21Z43BT
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Homo sapiens (Human))
BDBM50009535
PNG
((CGS 22,989) 2-[6-Amino-2-(2-cyclohex-1-enyl-ethyl...)
Show SMILES Nc1nc(NCCC2=CCCCC2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H26N6O4/c19-15-12-16(23-18(22-15)20-7-6-10-4-2-1-3-5-10)24(9-21-12)17-14(27)13(26)11(8-25)28-17/h4,9,11,13-14,17,25-27H,1-3,5-8H2,(H3,19,20,22,23)/t11-,13-,14-,17?/m1/s1
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n/an/an/an/a 2.20n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
In vitro effect on coronary vasodilation in guinea pig heart.


J Med Chem 35: 4557-61 (1993)


Article DOI: 10.1021/jm00102a007
BindingDB Entry DOI: 10.7270/Q21Z43BT
More data for this
Ligand-Target Pair
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 A2 receptor


(Homo sapiens (Human))
BDBM50406518
PNG
(CHEMBL604422)
Show SMILES COc1cccc(CCOc2nc(N)c3ncn(C4O[C@@H](CO)[C@H](O)[C@@H]4O)c3n2)c1
Show InChI InChI=1S/C19H23N5O6/c1-28-11-4-2-3-10(7-11)5-6-29-19-22-16(20)13-17(23-19)24(9-21-13)18-15(27)14(26)12(8-25)30-18/h2-4,7,9,12,14-15,18,25-27H,5-6,8H2,1H3,(H2,20,22,23)/t12-,14-,15-,18?/m0/s1
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n/an/an/an/a 2.60n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Concentration required for coronary arteries vasodilation at the Adenosine A2 receptor in langendorff guinea pig heart preparation


J Med Chem 34: 1340-4 (1991)


Article DOI: 10.1021/jm00108a015
BindingDB Entry DOI: 10.7270/Q24T6KJM
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Homo sapiens (Human))
BDBM50406510
PNG
(CHEMBL605876)
Show SMILES Nc1nc(OCCc2ccccc2F)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C18H20FN5O5/c19-10-4-2-1-3-9(10)5-6-28-18-22-15(20)12-16(23-18)24(8-21-12)17-14(27)13(26)11(7-25)29-17/h1-4,8,11,13-14,17,25-27H,5-7H2,(H2,20,22,23)/t11-,13-,14-,17?/m0/s1
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n/an/an/an/a 2.60n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Concentration required for coronary arteries vasodilation at the A2 adenosine receptor in langendorff guinea pig heart preparation


J Med Chem 34: 1340-4 (1991)


Article DOI: 10.1021/jm00108a015
BindingDB Entry DOI: 10.7270/Q24T6KJM
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Homo sapiens (Human))
BDBM50406501
PNG
(CHEMBL606092)
Show SMILES Nc1nc(OCCc2ccccc2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C18H21N5O5/c19-15-12-16(22-18(21-15)27-7-6-10-4-2-1-3-5-10)23(9-20-12)17-14(26)13(25)11(8-24)28-17/h1-5,9,11,13-14,17,24-26H,6-8H2,(H2,19,21,22)/t11-,13-,14-,17?/m0/s1
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n/an/an/an/a 2.80n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Concentration required for coronary arteries vasodilation at the A2 adenosine receptor in langendorff guinea pig heart preparation


J Med Chem 34: 1340-4 (1991)


Article DOI: 10.1021/jm00108a015
BindingDB Entry DOI: 10.7270/Q24T6KJM
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Homo sapiens (Human))
BDBM50421979
PNG
(CHEMBL607585)
Show SMILES CCCCN=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C14H21N7O4/c1-2-3-4-17-20-14-18-11(15)8-12(19-14)21(6-16-8)13-10(24)9(23)7(5-22)25-13/h6-7,9-10,13,22-24H,2-5H2,1H3,(H2,15,18,19)/t7-,9-,10-,13?/m1/s1
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n/an/an/an/a 2.90n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
In vitro effect on coronary vasodilation in guinea pig heart.


J Med Chem 35: 4557-61 (1993)


Article DOI: 10.1021/jm00102a007
BindingDB Entry DOI: 10.7270/Q21Z43BT
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Homo sapiens (Human))
BDBM50406514
PNG
(CHEMBL605873)
Show SMILES Nc1nc(OCCc2cccc(Cl)c2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C18H20ClN5O5/c19-10-3-1-2-9(6-10)4-5-28-18-22-15(20)12-16(23-18)24(8-21-12)17-14(27)13(26)11(7-25)29-17/h1-3,6,8,11,13-14,17,25-27H,4-5,7H2,(H2,20,22,23)/t11-,13-,14-,17?/m0/s1
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n/an/an/an/a 3n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Concentration required for coronary arteries vasodilation at the Adenosine A2 receptor in langendorff guinea pig heart preparation


J Med Chem 34: 1340-4 (1991)


Article DOI: 10.1021/jm00108a015
BindingDB Entry DOI: 10.7270/Q24T6KJM
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Homo sapiens (Human))
BDBM50421986
PNG
(CHEMBL610443)
Show SMILES Nc1nc(N=NCC2=CC3CCC2C3)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H23N7O4/c19-15-12-16(25(7-20-12)17-14(28)13(27)11(6-26)29-17)23-18(22-15)24-21-5-10-4-8-1-2-9(10)3-8/h4,7-9,11,13-14,17,26-28H,1-3,5-6H2,(H2,19,22,23)/t8?,9?,11-,13-,14-,17?/m1/s1
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n/an/an/an/a 3.30n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
In vitro effect on coronary vasodilation in guinea pig heart.


J Med Chem 35: 4557-61 (1993)


Article DOI: 10.1021/jm00102a007
BindingDB Entry DOI: 10.7270/Q21Z43BT
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Homo sapiens (Human))
BDBM50406521
PNG
(CHEMBL605461)
Show SMILES Nc1nc(OCCc2ccsc2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C16H19N5O5S/c17-13-10-14(20-16(19-13)25-3-1-8-2-4-27-6-8)21(7-18-10)15-12(24)11(23)9(5-22)26-15/h2,4,6-7,9,11-12,15,22-24H,1,3,5H2,(H2,17,19,20)/t9-,11-,12-,15?/m0/s1
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n/an/an/an/a 3.40n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Concentration required for coronary arteries vasodilation at the Adenosine A2 receptor in langendorff guinea pig heart preparation


J Med Chem 34: 1340-4 (1991)


Article DOI: 10.1021/jm00108a015
BindingDB Entry DOI: 10.7270/Q24T6KJM
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Homo sapiens (Human))
BDBM50421976
PNG
(CHEMBL607796)
Show SMILES Nc1nc(N=NCC2=CCCCC2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H23N7O4/c18-14-11-15(22-17(21-14)23-20-6-9-4-2-1-3-5-9)24(8-19-11)16-13(27)12(26)10(7-25)28-16/h4,8,10,12-13,16,25-27H,1-3,5-7H2,(H2,18,21,22)/t10-,12-,13-,16?/m1/s1
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n/an/an/an/a 3.5n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
In vitro effect on coronary vasodilation in guinea pig heart.


J Med Chem 35: 4557-61 (1993)


Article DOI: 10.1021/jm00102a007
BindingDB Entry DOI: 10.7270/Q21Z43BT
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Homo sapiens (Human))
BDBM50406509
PNG
(CHEMBL605667)
Show SMILES Nc1nc(OCCc2cccs2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C16H19N5O5S/c17-13-10-14(20-16(19-13)25-4-3-8-2-1-5-27-8)21(7-18-10)15-12(24)11(23)9(6-22)26-15/h1-2,5,7,9,11-12,15,22-24H,3-4,6H2,(H2,17,19,20)/t9-,11-,12-,15?/m0/s1
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n/an/an/an/a 3.70n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Concentration required for coronary arteries vasodilation at the Adenosine A2 receptor in langendorff guinea pig heart preparation


J Med Chem 34: 1340-4 (1991)


Article DOI: 10.1021/jm00108a015
BindingDB Entry DOI: 10.7270/Q24T6KJM
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Homo sapiens (Human))
BDBM50406506
PNG
(CHEMBL606305)
Show SMILES Cc1ccccc1CCOc1nc(N)c2ncn(C3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1
Show InChI InChI=1S/C19H23N5O5/c1-10-4-2-3-5-11(10)6-7-28-19-22-16(20)13-17(23-19)24(9-21-13)18-15(27)14(26)12(8-25)29-18/h2-5,9,12,14-15,18,25-27H,6-8H2,1H3,(H2,20,22,23)/t12-,14-,15-,18?/m0/s1
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n/an/an/an/a 3.80n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Concentration required for coronary arteries vasodilation at the Adenosine A2 receptor in langendorff guinea pig heart preparation


J Med Chem 34: 1340-4 (1991)


Article DOI: 10.1021/jm00108a015
BindingDB Entry DOI: 10.7270/Q24T6KJM
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 A2 receptor


(Homo sapiens (Human))
BDBM50406508
PNG
(CHEMBL605465)
Show SMILES COc1ccc(CCOc2nc(N)c3ncn(C4O[C@@H](CO)[C@H](O)[C@@H]4O)c3n2)cc1OC
Show InChI InChI=1S/C20H25N5O7/c1-29-11-4-3-10(7-12(11)30-2)5-6-31-20-23-17(21)14-18(24-20)25(9-22-14)19-16(28)15(27)13(8-26)32-19/h3-4,7,9,13,15-16,19,26-28H,5-6,8H2,1-2H3,(H2,21,23,24)/t13-,15-,16-,19?/m0/s1
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n/an/an/an/a 4.90n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Concentration required for coronary arteries vasodilation at the Adenosine A2 receptor in langendorff guinea pig heart preparation


J Med Chem 34: 1340-4 (1991)


Article DOI: 10.1021/jm00108a015
BindingDB Entry DOI: 10.7270/Q24T6KJM
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Homo sapiens (Human))
BDBM50406507
PNG
(CHEMBL604837)
Show SMILES Nc1nc(OCCc2cccc3ccccc23)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C22H23N5O5/c23-19-16-20(27(11-24-16)21-18(30)17(29)15(10-28)32-21)26-22(25-19)31-9-8-13-6-3-5-12-4-1-2-7-14(12)13/h1-7,11,15,17-18,21,28-30H,8-10H2,(H2,23,25,26)/t15-,17-,18-,21?/m0/s1
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n/an/an/an/a 5n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Concentration required for coronary arteries vasodilation at the A2 adenosine receptor in langendorff guinea pig heart preparation


J Med Chem 34: 1340-4 (1991)


Article DOI: 10.1021/jm00108a015
BindingDB Entry DOI: 10.7270/Q24T6KJM
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Homo sapiens (Human))
BDBM50406512
PNG
(CHEMBL603587)
Show SMILES Nc1nc(OCCc2ccccc2Cl)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C18H20ClN5O5/c19-10-4-2-1-3-9(10)5-6-28-18-22-15(20)12-16(23-18)24(8-21-12)17-14(27)13(26)11(7-25)29-17/h1-4,8,11,13-14,17,25-27H,5-7H2,(H2,20,22,23)/t11-,13-,14-,17?/m0/s1
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n/an/an/an/a 5.5n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Concentration required for coronary arteries vasodilation at the A2 adenosine receptor in langendorff guinea pig heart preparation


J Med Chem 34: 1340-4 (1991)


Article DOI: 10.1021/jm00108a015
BindingDB Entry DOI: 10.7270/Q24T6KJM
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Homo sapiens (Human))
BDBM50421978
PNG
(CHEMBL611314)
Show SMILES CCC(CC)CN=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H25N7O4/c1-3-8(4-2)5-19-22-16-20-13(17)10-14(21-16)23(7-18-10)15-12(26)11(25)9(6-24)27-15/h7-9,11-12,15,24-26H,3-6H2,1-2H3,(H2,17,20,21)/t9-,11-,12-,15?/m1/s1
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n/an/an/an/a 5.80n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
In vitro effect on coronary vasodilation in guinea pig heart.


J Med Chem 35: 4557-61 (1993)


Article DOI: 10.1021/jm00102a007
BindingDB Entry DOI: 10.7270/Q21Z43BT
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Homo sapiens (Human))
BDBM50406502
PNG
(CHEMBL604212)
Show SMILES Nc1nc(OCCCCCc2ccccc2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C21H27N5O5/c22-18-15-19(26(12-23-15)20-17(29)16(28)14(11-27)31-20)25-21(24-18)30-10-6-2-5-9-13-7-3-1-4-8-13/h1,3-4,7-8,12,14,16-17,20,27-29H,2,5-6,9-11H2,(H2,22,24,25)/t14-,16-,17-,20?/m0/s1
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n/an/an/an/a 6.30n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Concentration required for coronary arteries vasodilation at the A2 adenosine receptor in langendorff guinea pig heart preparation


J Med Chem 34: 1340-4 (1991)


Article DOI: 10.1021/jm00108a015
BindingDB Entry DOI: 10.7270/Q24T6KJM
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 A2 receptor


(Homo sapiens (Human))
BDBM50421971
PNG
(CHEMBL611917)
Show SMILES CC1(C)C2CC1C(CN=Nc1nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n1)=CC2
Show InChI InChI=1S/C20H27N7O4/c1-20(2)10-4-3-9(11(20)5-10)6-23-26-19-24-16(21)13-17(25-19)27(8-22-13)18-15(30)14(29)12(7-28)31-18/h3,8,10-12,14-15,18,28-30H,4-7H2,1-2H3,(H2,21,24,25)/t10?,11?,12-,14-,15-,18?/m1/s1
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n/an/an/an/a 7.40n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
In vitro effect on coronary vasodilation in guinea pig heart.


J Med Chem 35: 4557-61 (1993)


Article DOI: 10.1021/jm00102a007
BindingDB Entry DOI: 10.7270/Q21Z43BT
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Homo sapiens (Human))
BDBM50421984
PNG
(CHEMBL607599)
Show SMILES CC(C)CN=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C14H21N7O4/c1-6(2)3-17-20-14-18-11(15)8-12(19-14)21(5-16-8)13-10(24)9(23)7(4-22)25-13/h5-7,9-10,13,22-24H,3-4H2,1-2H3,(H2,15,18,19)/t7-,9-,10-,13?/m1/s1
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n/an/an/an/a 7.40n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
In vitro effect on coronary vasodilation in guinea pig heart.


J Med Chem 35: 4557-61 (1993)


Article DOI: 10.1021/jm00102a007
BindingDB Entry DOI: 10.7270/Q21Z43BT
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 A2 receptor


(Homo sapiens (Human))
BDBM50406505
PNG
(CHEMBL605257)
Show SMILES Nc1nc(OCCCCc2ccccc2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C20H25N5O5/c21-17-14-18(25(11-22-14)19-16(28)15(27)13(10-26)30-19)24-20(23-17)29-9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,11,13,15-16,19,26-28H,4-5,8-10H2,(H2,21,23,24)/t13-,15-,16-,19?/m0/s1
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n/an/an/an/a 9.5n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Concentration required for coronary arteries vasodilation at the A2 adenosine receptor in langendorff guinea pig heart preparation


J Med Chem 34: 1340-4 (1991)


Article DOI: 10.1021/jm00108a015
BindingDB Entry DOI: 10.7270/Q24T6KJM
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)


Article DOI: 10.1016/j.ejmech.2018.02.081
BindingDB Entry DOI: 10.7270/Q2NS0XHB
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Homo sapiens (Human))
BDBM50406520
PNG
(CHEMBL605256)
Show SMILES Nc1nc(OCCc2c[nH]c3ccccc23)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C20H22N6O5/c21-17-14-18(26(9-23-14)19-16(29)15(28)13(8-27)31-19)25-20(24-17)30-6-5-10-7-22-12-4-2-1-3-11(10)12/h1-4,7,9,13,15-16,19,22,27-29H,5-6,8H2,(H2,21,24,25)/t13-,15-,16-,19?/m0/s1
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n/an/an/an/a 9.80n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Concentration required for coronary arteries vasodilation at the A2 adenosine receptor in langendorff guinea pig heart preparation


J Med Chem 34: 1340-4 (1991)


Article DOI: 10.1021/jm00108a015
BindingDB Entry DOI: 10.7270/Q24T6KJM
More data for this
Ligand-Target Pair
Adenosine receptors; A2a & A2b


(Homo sapiens (Human))
BDBM50531416
PNG
(CHEMBL4451942)
Show SMILES Cc1csc2n(CC3CCCO3)c(=O)n(CCc3ccccc3)c(=O)c12
Show InChI InChI=1S/C20H22N2O3S/c1-14-13-26-19-17(14)18(23)21(10-9-15-6-3-2-4-7-15)20(24)22(19)12-16-8-5-11-25-16/h2-4,6-7,13,16H,5,8-12H2,1H3
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n/an/an/an/a>10n/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human A2B adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assay


Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
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))
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)


Article DOI: 10.1016/j.ejmech.2018.02.081
BindingDB Entry DOI: 10.7270/Q2NS0XHB
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)


Article DOI: 10.1021/jm049947s
BindingDB Entry DOI: 10.7270/Q2833SS3
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 A2 receptor


(Homo sapiens (Human))
BDBM50421977
PNG
(CHEMBL609231)
Show SMILES CCCN=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C13H19N7O4/c1-2-3-16-19-13-17-10(14)7-11(18-13)20(5-15-7)12-9(23)8(22)6(4-21)24-12/h5-6,8-9,12,21-23H,2-4H2,1H3,(H2,14,17,18)/t6-,8-,9-,12?/m1/s1
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n/an/an/an/a 13n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
In vitro effect on coronary vasodilation in guinea pig heart.


J Med Chem 35: 4557-61 (1993)


Article DOI: 10.1021/jm00102a007
BindingDB Entry DOI: 10.7270/Q21Z43BT
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)


Article DOI: 10.1016/j.ejmech.2018.02.081
BindingDB Entry DOI: 10.7270/Q2NS0XHB
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
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