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Compile Data Set for Download or QSAR

Found 226 hits of ec50 data for polymerid = 2130   
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 A2A


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



University of Virginia

Curated by ChEMBL


Assay Description
AE maximal score at Adenosine A2A receptor


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

More data for this
Ligand-Target Pair
Adenosine receptor A2A


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



Monash University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2A


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



Universit£ di Ferrara

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2A


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



IIQAB (CSIC)

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2A


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



IIQAB (CSIC)

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2A


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



Monash University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2A


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



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine receptor A2A


(Homo sapiens (human))
BDBM50078422
PNG
(CHEMBL3414936)
Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1/C12H15N9O3/c1-2-21-18-10(17-19-21)8-6(22)7(23)12(24-8)20-4-16-5-9(13)14-3-15-11(5)20/h3-4,6-8,12,22-23H,2H2,1H3,(H2,13,14,15)/t6-,7+,8-,12+/s2
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n/an/an/an/a 2.40n/an/an/an/a



University of Camerino

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2A


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



Leiden University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2A


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



IIQAB (CSIC)

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2A


(Homo sapiens (human))
BDBM50078423
PNG
(CHEMBL3414937)
Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(Cl)nc12
Show InChI InChI=1/C12H14ClN9O3/c1-2-22-19-9(18-20-22)7-5(23)6(24)11(25-7)21-3-15-4-8(14)16-12(13)17-10(4)21/h3,5-7,11,23-24H,2H2,1H3,(H2,14,16,17)/t5-,6+,7-,11+/s2
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n/an/an/an/a 3.80n/an/an/an/a



University of Camerino

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2A


(Homo sapiens (human))
BDBM50079321
PNG
(CHEMBL3416799)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(Cl)cc3F)nc12
Show InChI InChI=1/C24H31ClFN9O4/c1-2-28-22(38)19-17(36)18(37)23(39-19)35-12-30-16-20(27)31-24(32-21(16)35)29-5-6-33-7-9-34(10-8-33)15-4-3-13(25)11-14(15)26/h3-4,11-12,17-19,23,36-37H,2,5-10H2,1H3,(H,28,38)(H3,27,29,31,32)/t17-,18+,19-,23+/s2
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n/an/an/an/a 4.90n/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2A


(Homo sapiens (human))
BDBM50078427
PNG
(CHEMBL3414941)
Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)nc(Cl)nc12
Show InChI InChI=1/C15H18ClN9O3/c1-2-25-22-12(21-23-25)10-8(26)9(27)14(28-10)24-5-17-7-11(18-6-3-4-6)19-15(16)20-13(7)24/h5-6,8-10,14,26-27H,2-4H2,1H3,(H,18,19,20)/t8-,9+,10-,14+/s2
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n/an/an/an/a 5.30n/an/an/an/a



University of Camerino

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2A


(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 5.60n/an/an/an/a



Monash University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2A


(Homo sapiens (human))
BDBM50026816
PNG
(CHEMBL3335523)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)Nc4ccc(OC(C)=O)c(c4)[N+]([O-])=O)cc3)nc12
Show InChI InChI=1/C31H35N9O9/c1-3-33-29(45)26-24(43)25(44)30(49-26)39-15-35-23-27(32)37-31(38-28(23)39)34-13-12-18-6-4-17(5-7-18)8-11-22(42)36-19-9-10-21(48-16(2)41)20(14-19)40(46)47/h4-7,9-10,14-15,24-26,30,43-44H,3,8,11-13H2,1-2H3,(H,33,45)(H,36,42)(H3,32,34,37,38)/t24-,25+,26-,30+/s2
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n/an/an/an/a 5.90n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2A


(Homo sapiens (human))
BDBM50385950
PNG
(CHEMBL2042306)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCc3ccc(N)cc3)nc12
Show InChI InChI=1S/C34H38N8O4/c1-2-36-32(45)29-27(43)28(44)33(46-29)42-20-39-26-30(38-19-25(22-9-5-3-6-10-22)23-11-7-4-8-12-23)40-34(41-31(26)42)37-18-17-21-13-15-24(35)16-14-21/h3-16,20,25,27-29,33,43-44H,2,17-19,35H2,1H3,(H,36,45)(H2,37,38,40,41)/t27-,28+,29-,33+/m0/s1
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n/an/an/an/a 6.30n/an/an/an/a



Monash University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2A


(Homo sapiens (human))
BDBM50385947
PNG
(CHEMBL2042303)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(NC(=O)CCCC[C@H]4CCSS4)cc3)nc12
Show InChI InChI=1S/C28H38N8O5S2/c1-2-30-26(40)23-21(38)22(39)27(41-23)36-15-32-20-24(29)34-28(35-25(20)36)31-13-11-16-7-9-17(10-8-16)33-19(37)6-4-3-5-18-12-14-42-43-18/h7-10,15,18,21-23,27,38-39H,2-6,11-14H2,1H3,(H,30,40)(H,33,37)(H3,29,31,34,35)/t18-,21-,22+,23-,27+/m0/s1
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n/an/an/an/a 6.60n/an/an/an/a



Monash University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2A


(Homo sapiens (human))
BDBM50078428
PNG
(CHEMBL3414942)
Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@@H]4CC[C@@H]3C4)ncnc12
Show InChI InChI=1/C19H25N9O3/c1-2-28-25-17(24-26-28)15-13(29)14(30)19(31-15)27-8-22-12-16(20-7-21-18(12)27)23-11-6-9-3-4-10(11)5-9/h7-11,13-15,19,29-30H,2-6H2,1H3,(H,20,21,23)/t9-,10-,11+,13+,14-,15+,19-/s2
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n/an/an/an/a 7.70n/an/an/an/a



University of Camerino

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2A


(Homo sapiens (human))
BDBM50150767
PNG
((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-1-hydroxymethyl-2-...)
Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(O)cc3)nc12
Show InChI InChI=1S/C21H26N10O5/c1-2-31-28-18(27-29-31)16-14(34)15(35)20(36-16)30-9-23-13-17(22)25-21(26-19(13)30)24-11(8-32)7-10-3-5-12(33)6-4-10/h3-6,9,11,14-16,20,32-35H,2,7-8H2,1H3,(H3,22,24,25,26)/t11-,14-,15+,16-,20+/m0/s1
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n/an/an/an/a 8n/an/an/an/a



IIQAB (CSIC)

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2A


(Homo sapiens (human))
BDBM50078538
PNG
(CHEMBL3414946)
Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(Cl)cc3F)ncnc12
Show InChI InChI=1/C18H17ClFN9O3/c1-2-29-26-16(25-27-29)14-12(30)13(31)18(32-14)28-7-23-11-15(21-6-22-17(11)28)24-10-4-3-8(19)5-9(10)20/h3-7,12-14,18,30-31H,2H2,1H3,(H,21,22,24)/t12-,13+,14-,18+/s2
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n/an/an/an/a 8.40n/an/an/an/a



University of Camerino

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2A


(Homo sapiens (human))
BDBM50150766
PNG
((2R,3R,4S,5R)-2-(6-amino-2-((S)-1-hydroxy-3-phenyl...)
Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccccc3)nc12
Show InChI InChI=1S/C21H26N10O4/c1-2-31-28-18(27-29-31)16-14(33)15(34)20(35-16)30-10-23-13-17(22)25-21(26-19(13)30)24-12(9-32)8-11-6-4-3-5-7-11/h3-7,10,12,14-16,20,32-34H,2,8-9H2,1H3,(H3,22,24,25,26)/t12-,14-,15+,16-,20+/m0/s1
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n/an/an/an/a 8.80n/an/an/an/a



IIQAB (CSIC)

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2A


(Homo sapiens (human))
BDBM50078421
PNG
(CHEMBL3414948)
Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3I)nc(Cl)nc12
Show InChI InChI=1/C19H19ClIN9O3/c1-2-30-27-16(26-28-30)14-12(31)13(32)18(33-14)29-8-23-11-15(24-19(20)25-17(11)29)22-7-9-5-3-4-6-10(9)21/h3-6,8,12-14,18,31-32H,2,7H2,1H3,(H,22,24,25)/t12-,13+,14-,18+/s2
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n/an/an/an/a 9n/an/an/an/a



University of Camerino

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2A


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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at adenosine receptor A2a (unknown origin) assessed as cAMP formation


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2A


(Homo sapiens (human))
BDBM50078426
PNG
(CHEMBL3414940)
Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)ncnc12
Show InChI InChI=1/C15H19N9O3/c1-2-24-21-13(20-22-24)11-9(25)10(26)15(27-11)23-6-18-8-12(19-7-3-4-7)16-5-17-14(8)23/h5-7,9-11,15,25-26H,2-4H2,1H3,(H,16,17,19)/t9-,10+,11-,15+/s2
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n/an/an/an/a 9.80n/an/an/an/a



University of Camerino

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2A


(Homo sapiens (human))
BDBM50079322
PNG
(CHEMBL3416798)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3cccc(F)c3F)nc12
Show InChI InChI=1/C24H31F2N9O4/c1-2-28-22(38)19-17(36)18(37)23(39-19)35-12-30-16-20(27)31-24(32-21(16)35)29-6-7-33-8-10-34(11-9-33)14-5-3-4-13(25)15(14)26/h3-5,12,17-19,23,36-37H,2,6-11H2,1H3,(H,28,38)(H3,27,29,31,32)/t17-,18+,19-,23+/s2
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n/an/an/an/a 10n/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2A


(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 12n/an/an/an/a



Monash University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2A


(Homo sapiens (human))
BDBM50079329
PNG
(CHEMBL3416792)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccccc3F)nc12
Show InChI InChI=1/C24H32FN9O4/c1-2-27-22(37)19-17(35)18(36)23(38-19)34-13-29-16-20(26)30-24(31-21(16)34)28-7-8-32-9-11-33(12-10-32)15-6-4-3-5-14(15)25/h3-6,13,17-19,23,35-36H,2,7-12H2,1H3,(H,27,37)(H3,26,28,30,31)/t17-,18+,19-,23+/s2
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n/an/an/an/a 12n/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2A


(Homo sapiens (human))
BDBM50339076
PNG
((2R,3R,4S)-2-(6-amino-2-(hex-1-ynyl)-9H-purin-9-yl...)
Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3SC[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C15H19N5O2S/c1-2-3-4-5-6-10-18-13(16)11-14(19-10)20(8-17-11)15-12(22)9(21)7-23-15/h8-9,12,15,21-22H,2-4,7H2,1H3,(H2,16,18,19)/t9-,12-,15-/m1/s1
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n/an/an/an/a 12n/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2A receptor expressed in CHO cells by cyclic AMP functional assay


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2A


(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 13n/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine receptor A2A


(Homo sapiens (human))
BDBM50078429
PNG
(CHEMBL3414943)
Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@@H]4CC[C@@H]3C4)nc(Cl)nc12
Show InChI InChI=1/C19H24ClN9O3/c1-2-29-26-16(25-27-29)14-12(30)13(31)18(32-14)28-7-21-11-15(23-19(20)24-17(11)28)22-10-6-8-3-4-9(10)5-8/h7-10,12-14,18,30-31H,2-6H2,1H3,(H,22,23,24)/t8-,9-,10+,12+,13-,14+,18-/s2
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n/an/an/an/a 13n/an/an/an/a



University of Camerino

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2A


(Homo sapiens (human))
BDBM50385946
PNG
(CHEMBL2042302)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(NC(=O)c4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C)cc3)nc12
Show InChI InChI=1S/C35H46N8O6/c1-8-37-31(48)27-25(45)26(46)32(49-27)43-17-39-23-28(36)41-33(42-29(23)43)38-14-13-18-9-11-20(12-10-18)40-30(47)19-15-21(34(2,3)4)24(44)22(16-19)35(5,6)7/h9-12,15-17,25-27,32,44-46H,8,13-14H2,1-7H3,(H,37,48)(H,40,47)(H3,36,38,41,42)/t25-,26+,27-,32+/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 A2A receptor expressed in CHO cells assessed as increase in intracellular cAMP level after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2A


(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 14n/an/an/an/a



Monash University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2A


(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 17.6n/an/an/an/a


TBA

Assay Description
Agonist activity at human adenosine A2A receptor expressed in CHO-K1 cells by cAMP accumulation assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine receptor A2A


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



Universit£ degli Studi di Ferrara

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine receptor A2A


(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 18n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adenosine A2A receptor expressed in CHO cells assessed as [3H]cAMP accumulation after 15 mins by liquid scintil...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine receptor A2A


(Homo sapiens (human))
BDBM50339077
PNG
((2R,3R,4S)-2-(6-amino-2-((E)-hex-1-enyl)-9H-purin-...)
Show SMILES CCCC\C=C\c1nc(N)c2ncn([C@@H]3SC[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C15H21N5O2S/c1-2-3-4-5-6-10-18-13(16)11-14(19-10)20(8-17-11)15-12(22)9(21)7-23-15/h5-6,8-9,12,15,21-22H,2-4,7H2,1H3,(H2,16,18,19)/b6-5+/t9-,12-,15-/m1/s1
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n/an/an/an/a 20.6n/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adenosine A2A receptor expressed in CHO cells assessed as induction of cAMP production after 30 mins by immunoa...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2A


(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 21.9n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A2A receptor expressed in CHO cells assessed as stimulation of cAMP production


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine receptor A2A


(Homo sapiens (human))
BDBM50389797
PNG
(CHEMBL261482)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1
Show InChI InChI=1S/C13H16N6O4/c14-10-6-11(16-3-15-10)19(4-17-6)13-8(21)7(20)9(23-13)12(22)18-5-1-2-5/h3-5,7-9,13,20-21H,1-2H2,(H,18,22)(H2,14,15,16)/t7-,8+,9-,13+/m0/s1
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n/an/an/an/a 22.9n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human A2A adenosine receptor expressed in CHO cells assessed as stimulation of forskolin-induced cAMP accumulation after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2A


(Homo sapiens (human))
BDBM50079328
PNG
(CHEMBL3416793)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccccc3Cl)nc12
Show InChI InChI=1/C24H32ClN9O4/c1-2-27-22(37)19-17(35)18(36)23(38-19)34-13-29-16-20(26)30-24(31-21(16)34)28-7-8-32-9-11-33(12-10-32)15-6-4-3-5-14(15)25/h3-6,13,17-19,23,35-36H,2,7-12H2,1H3,(H,27,37)(H3,26,28,30,31)/t17-,18+,19-,23+/s2
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n/an/an/an/a 24n/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2A


(Homo sapiens (human))
BDBM50078430
PNG
(CHEMBL3414944)
Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCO3)ncnc12
Show InChI InChI=1/C16H21N9O4/c1-2-25-22-14(21-23-25)12-10(26)11(27)16(29-12)24-7-19-9-13(17-6-18-15(9)24)20-8-4-3-5-28-8/h6-8,10-12,16,26-27H,2-5H2,1H3,(H,17,18,20)/t8?,10-,11+,12-,16+/s2
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n/an/an/an/a 25n/an/an/an/a



University of Camerino

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2A


(Homo sapiens (human))
BDBM50389798
PNG
(CHEMBL2070507)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CCC1
Show InChI InChI=1S/C14H18N6O4/c15-11-7-12(17-4-16-11)20(5-18-7)14-9(22)8(21)10(24-14)13(23)19-6-2-1-3-6/h4-6,8-10,14,21-22H,1-3H2,(H,19,23)(H2,15,16,17)/t8-,9+,10-,14+/m0/s1
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n/an/an/an/a 26.8n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human A2A adenosine receptor expressed in CHO cells assessed as stimulation of forskolin-induced cAMP accumulation after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2A


(Homo sapiens (human))
BDBM50079354
PNG
(CHEMBL3416810)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N1CCN(CC1)c1ccc(OCCCc2ccccc2)cc1
Show InChI InChI=1/C31H38N8O5/c1-2-33-29(42)26-24(40)25(41)30(44-26)39-19-34-23-27(32)35-31(36-28(23)39)38-16-14-37(15-17-38)21-10-12-22(13-11-21)43-18-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-13,19,24-26,30,40-41H,2,6,9,14-18H2,1H3,(H,33,42)(H2,32,35,36)/t24-,25+,26-,30+/s2
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n/an/an/an/a 27n/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2A


(Homo sapiens (human))
BDBM50078420
PNG
(CHEMBL3414947)
Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(Cl)cc3F)nc(Cl)nc12
Show InChI InChI=1/C18H16Cl2FN9O3/c1-2-30-27-15(26-28-30)13-11(31)12(32)17(33-13)29-6-22-10-14(24-18(20)25-16(10)29)23-9-4-3-7(19)5-8(9)21/h3-6,11-13,17,31-32H,2H2,1H3,(H,23,24,25)/t11-,12+,13-,17+/s2
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n/an/an/an/a 29n/an/an/an/a



University of Camerino

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2A


(Homo sapiens (human))
BDBM50001516
PNG
(1-Butyl-3-propyl-3,7-dihydro-purine-2,6-dione | CH...)
Show SMILES CCCCn1c(=O)n(CCC)c2nc[nH]c2c1=O
Show InChI InChI=1S/C12H18N4O2/c1-3-5-7-16-11(17)9-10(14-8-13-9)15(6-4-2)12(16)18/h8H,3-7H2,1-2H3,(H,13,14)
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n/an/an/an/a 30n/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Relexant activity on the spontaneous tone of isolated guinea pig tracheal ring chains.


J Med Chem 35: 4039-44 (1992)

More data for this
Ligand-Target Pair
Adenosine receptor A2A


(Homo sapiens (human))
BDBM50385951
PNG
(CHEMBL2042307)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCc3ccc(Br)cc3)nc12
Show InChI InChI=1S/C34H36BrN7O4/c1-2-36-32(45)29-27(43)28(44)33(46-29)42-20-39-26-30(38-19-25(22-9-5-3-6-10-22)23-11-7-4-8-12-23)40-34(41-31(26)42)37-18-17-21-13-15-24(35)16-14-21/h3-16,20,25,27-29,33,43-44H,2,17-19H2,1H3,(H,36,45)(H2,37,38,40,41)/t27-,28+,29-,33+/m0/s1
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n/an/an/an/a 30.9n/an/an/an/a



Monash University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2A


(Homo sapiens (human))
BDBM50079273
PNG
(CHEMBL3416780)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(Cl)cc3)nc12
Show InChI InChI=1/C24H32ClN9O4/c1-2-27-22(37)19-17(35)18(36)23(38-19)34-13-29-16-20(26)30-24(31-21(16)34)28-7-8-32-9-11-33(12-10-32)15-5-3-14(25)4-6-15/h3-6,13,17-19,23,35-36H,2,7-12H2,1H3,(H,27,37)(H3,26,28,30,31)/t17-,18+,19-,23+/s2
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n/an/an/an/a 31n/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2A


(Homo sapiens (human))
BDBM50078537
PNG
(CHEMBL3414945)
Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCO3)nc(Cl)nc12
Show InChI InChI=1/C16H20ClN9O4/c1-2-26-23-13(22-24-26)11-9(27)10(28)15(30-11)25-6-18-8-12(19-7-4-3-5-29-7)20-16(17)21-14(8)25/h6-7,9-11,15,27-28H,2-5H2,1H3,(H,19,20,21)/t7?,9-,10+,11-,15+/s2
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n/an/an/an/a 33n/an/an/an/a



University of Camerino

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2A


(Homo sapiens (human))
BDBM50079339
PNG
(CHEMBL3416784)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)nc12
Show InChI InChI=1/C24H32N10O6/c1-2-26-22(37)19-17(35)18(36)23(40-19)33-13-28-16-20(25)29-24(30-21(16)33)27-7-8-31-9-11-32(12-10-31)14-3-5-15(6-4-14)34(38)39/h3-6,13,17-19,23,35-36H,2,7-12H2,1H3,(H,26,37)(H3,25,27,29,30)/t17-,18+,19-,23+/s2
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n/an/an/an/a 36n/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2A


(Homo sapiens (human))
BDBM50079352
PNG
(CHEMBL3416808)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N1CCN(CC1)c1ccc(OCc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1/C30H33F3N8O5/c1-2-35-27(44)24-22(42)23(43)28(46-24)41-16-36-21-25(34)37-29(38-26(21)41)40-13-11-39(12-14-40)19-7-9-20(10-8-19)45-15-17-3-5-18(6-4-17)30(31,32)33/h3-10,16,22-24,28,42-43H,2,11-15H2,1H3,(H,35,44)(H2,34,37,38)/t22-,23+,24-,28+/s2
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n/an/an/an/a 38n/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2A


(Homo sapiens (human))
BDBM50079335
PNG
(CHEMBL3416788)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(cc3)C(O)=O)nc12
Show InChI InChI=1/C25H33N9O6/c1-2-27-22(37)19-17(35)18(36)23(40-19)34-13-29-16-20(26)30-25(31-21(16)34)28-7-8-32-9-11-33(12-10-32)15-5-3-14(4-6-15)24(38)39/h3-6,13,17-19,23,35-36H,2,7-12H2,1H3,(H,27,37)(H,38,39)(H3,26,28,30,31)/t17-,18+,19-,23+/s2
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n/an/an/an/a 38n/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
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