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Compile Data Set for Download or QSAR

Found 335 hits of ic50 data for polymerid = 2130,49000160,49000161   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM?mit=repeat
Kd
nM
EC50/IC50
nM?mit=repeat
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50051241
PNG
(2-(furan-2-yl)-7-(3-phenylpropyl)-7H-pyrazolo[4,3-...)
Show SMILES Nc1nc2n(CCCc3ccccc3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C19H17N7O/c20-19-23-17-14(18-22-16(24-26(18)19)15-9-5-11-27-15)12-21-25(17)10-4-8-13-6-2-1-3-7-13/h1-3,5-7,9,11-12H,4,8,10H2,(H2,20,23)
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n/an/a 18n/an/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of 1 uM NECA-stimulated cyclic AMP levels in human platelets


J Med Chem 41: 2126-33 (1998)


Article DOI: 10.1021/jm9708689
BindingDB Entry DOI: 10.7270/Q2251H9K
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50059885
PNG
(CHEMBL3394256)
Show SMILES [O-]C(=O)C(F)(F)F.CCC[NH+](CCCNC(=O)CCCOc1ccc(CCNc2nc(N)n3nc(nc3n2)-c2ccco2)cc1)CCc1cccc2NC(=O)Cc12
Show InChI InChI=1S/C36H44N10O4.C2HF3O2/c1-2-19-45(21-16-26-7-3-8-29-28(26)24-32(48)40-29)20-6-17-38-31(47)10-5-22-49-27-13-11-25(12-14-27)15-18-39-35-42-34(37)46-36(43-35)41-33(44-46)30-9-4-23-50-30;3-2(4,5)1(6)7/h3-4,7-9,11-14,23H,2,5-6,10,15-22,24H2,1H3,(H,38,47)(H,40,48)(H3,37,39,41,42,43,44);(H,6,7)
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n/an/a 18n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human adenosine A2A receptor expressed in FlpIn-CHO cells assessed as inhibition of NECA-induced cAMP accumulation incubated for 30 min...


J Med Chem 58: 718-38 (2015)


Article DOI: 10.1021/jm501254d
BindingDB Entry DOI: 10.7270/Q2N87CGR
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50059885
PNG
(CHEMBL3394256)
Show SMILES [O-]C(=O)C(F)(F)F.CCC[NH+](CCCNC(=O)CCCOc1ccc(CCNc2nc(N)n3nc(nc3n2)-c2ccco2)cc1)CCc1cccc2NC(=O)Cc12
Show InChI InChI=1S/C36H44N10O4.C2HF3O2/c1-2-19-45(21-16-26-7-3-8-29-28(26)24-32(48)40-29)20-6-17-38-31(47)10-5-22-49-27-13-11-25(12-14-27)15-18-39-35-42-34(37)46-36(43-35)41-33(44-46)30-9-4-23-50-30;3-2(4,5)1(6)7/h3-4,7-9,11-14,23H,2,5-6,10,15-22,24H2,1H3,(H,38,47)(H,40,48)(H3,37,39,41,42,43,44);(H,6,7)
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n/an/a 18n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human adenosine A2A receptor expressed in FlpIn-CHO cells assessed as inhibition of NECA-induced cAMP accumulation incubated for 30 min...


J Med Chem 58: 718-38 (2015)


Article DOI: 10.1021/jm501254d
BindingDB Entry DOI: 10.7270/Q2N87CGR
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50117217
PNG
(5-Butyl-8-(2-chloro-phenyl)-3H-[1,2,4]triazolo[5,1...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccccc1Cl
Show InChI InChI=1S/C16H15ClN6/c1-2-3-8-12-20-15-13(18-9-19-15)16-21-14(22-23(12)16)10-6-4-5-7-11(10)17/h4-7,9H,2-3,8H2,1H3,(H,18,19)
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n/an/a 18n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS-21,680 binding to human Adenosine A2A receptor expressed in HEK-293 cells


J Med Chem 45: 3703-8 (2002)


Article DOI: 10.1021/jm010570p
BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A2


(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/a 19n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A2A receptor in human neutrophils assessed as inhibition of fMLP-induced reactive oxygen species release by chemilumine...


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


Article DOI: 10.1016/j.bmcl.2009.11.131
BindingDB Entry DOI: 10.7270/Q2X92BDC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50064702
PNG
(7-(3-(3,4-dimethoxyphenyl)propyl)-2-(furan-2-yl)-7...)
Show SMILES COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1OC
Show InChI InChI=1S/C21H21N7O3/c1-29-15-8-7-13(11-17(15)30-2)5-3-9-27-19-14(12-23-27)20-24-18(16-6-4-10-31-16)26-28(20)21(22)25-19/h4,6-8,10-12H,3,5,9H2,1-2H3,(H2,22,25)
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n/an/a 20n/an/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of 1 uM NECA-stimulated cyclic AMP levels in human platelets


J Med Chem 41: 2126-33 (1998)


Article DOI: 10.1021/jm9708689
BindingDB Entry DOI: 10.7270/Q2251H9K
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50211076
PNG
(CHEMBL3908770)
Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C17H15N5O2S/c18-14-13-16(25-15(20-13)12-2-1-9-24-12)22-17(21-14)19-8-7-10-3-5-11(23)6-4-10/h1-6,9,23H,7-8H2,(H3,18,19,21,22)
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n/an/a 21n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity against human adenosine A2A receptor expressed in CHO cells assessed as inhibition of CGS21680-stimulated cAMP accumulation measu...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50125931
PNG
(2-Benzo[1,3]dioxol-5-yl-N-(2-furan-2-yl-8-methyl-9...)
Show SMILES CSc1n(C)nc2nc(NC(=O)Cc3ccc4OCOc4c3)n3nc(nc3c12)-c1ccco1
Show InChI InChI=1S/C21H17N7O4S/c1-27-20(33-2)16-18(25-27)24-21(28-19(16)23-17(26-28)13-4-3-7-30-13)22-15(29)9-11-5-6-12-14(8-11)32-10-31-12/h3-8H,9-10H2,1-2H3,(H,22,24,25,29)
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n/an/a 21.5n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity as inhibition of cAMP generation after agonist-modulation of human Adenosine A2A receptor with 100 nM NECA


J Med Chem 46: 1229-41 (2003)


Article DOI: 10.1021/jm021023m
BindingDB Entry DOI: 10.7270/Q28916KP
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50211081
PNG
(CHEMBL3932413)
Show SMILES Nc1nc(NCc2cccc(O)c2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C16H13N5O2S/c17-13-12-15(24-14(19-12)11-5-2-6-23-11)21-16(20-13)18-8-9-3-1-4-10(22)7-9/h1-7,22H,8H2,(H3,17,18,20,21)
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n/an/a 22n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity against human adenosine A2A receptor expressed in CHO cells assessed as inhibition of CGS21680-stimulated cAMP accumulation measu...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50199696
PNG
(CHEMBL3941513)
Show SMILES CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1cccc(c1)C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C32H33Cl2N7O3/c1-2-41-31(43)28(37-32(44)38-29-25(33)19-35-20-26(29)34)18-27(39-41)23-10-6-8-21(16-23)22-9-7-11-24(17-22)30(42)36-12-15-40-13-4-3-5-14-40/h6-11,16-20H,2-5,12-15H2,1H3,(H,36,42)(H2,35,37,38,44)
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n/an/a 22n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2a receptor (unknown origin)


J Med Chem 59: 10479-10497 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00829
BindingDB Entry DOI: 10.7270/Q21G0P75
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50117237
PNG
(5,8-Diphenyl-3H-[1,2,4]triazolo[5,1-i]purine | CHE...)
Show SMILES c1nc2c(nc(-c3ccccc3)n3nc(nc23)-c2ccccc2)[nH]1
Show InChI InChI=1S/C18H12N6/c1-3-7-12(8-4-1)15-21-18-14-16(20-11-19-14)22-17(24(18)23-15)13-9-5-2-6-10-13/h1-11H,(H,19,20)
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n/an/a 23n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS-21,680 binding to human Adenosine A2A receptor expressed in HEK-293 cells


J Med Chem 45: 3703-8 (2002)


Article DOI: 10.1021/jm010570p
BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50211076
PNG
(CHEMBL3908770)
Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C17H15N5O2S/c18-14-13-16(25-15(20-13)12-2-1-9-24-12)22-17(21-14)19-8-7-10-3-5-11(23)6-4-10/h1-6,9,23H,7-8H2,(H3,18,19,21,22)
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n/an/a 25n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inverse agonist activity at human adenosine A2A receptor expressed in CHO cells assessed as inhibition of cAMP accumulation measured after 150 mins i...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50211081
PNG
(CHEMBL3932413)
Show SMILES Nc1nc(NCc2cccc(O)c2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C16H13N5O2S/c17-13-12-15(24-14(19-12)11-5-2-6-23-11)21-16(20-13)18-8-9-3-1-4-10(22)7-9/h1-7,22H,8H2,(H3,17,18,20,21)
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n/an/a 27n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inverse agonist activity at human adenosine A2A receptor expressed in CHO cells assessed as inhibition of cAMP accumulation measured after 150 mins i...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50199697
PNG
(CHEMBL3980193)
Show SMILES CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1cccc(c1)C(=O)NCCN(C)C
Show InChI InChI=1S/C29H29Cl2N7O3/c1-4-38-28(40)25(34-29(41)35-26-22(30)16-32-17-23(26)31)15-24(36-38)20-9-5-7-18(13-20)19-8-6-10-21(14-19)27(39)33-11-12-37(2)3/h5-10,13-17H,4,11-12H2,1-3H3,(H,33,39)(H2,32,34,35,41)
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n/an/a 28n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2a receptor (unknown origin)


J Med Chem 59: 10479-10497 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00829
BindingDB Entry DOI: 10.7270/Q21G0P75
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50372026
PNG
(CHEMBL257429)
Show SMILES COC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(CCNC3CCCCC3)nc12
Show InChI InChI=1S/C33H42N6O4/c1-42-20-26-29(40)30(41)33(43-26)39-21-36-28-31(37-27(38-32(28)39)17-18-34-24-15-9-4-10-16-24)35-19-25(22-11-5-2-6-12-22)23-13-7-3-8-14-23/h2-3,5-8,11-14,21,24-26,29-30,33-34,40-41H,4,9-10,15-20H2,1H3,(H,35,37,38)/t26-,29-,30-,33-/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A2A receptor


Bioorg Med Chem Lett 18: 1284-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.033
BindingDB Entry DOI: 10.7270/Q22808F4
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50211094
PNG
(CHEMBL3950142)
Show SMILES Nc1nc(NCc2ccccc2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C16H13N5OS/c17-13-12-15(23-14(19-12)11-7-4-8-22-11)21-16(20-13)18-9-10-5-2-1-3-6-10/h1-8H,9H2,(H3,17,18,20,21)
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n/an/a 29n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inverse agonist activity at human adenosine A2A receptor expressed in CHO cells assessed as inhibition of cAMP accumulation measured after 150 mins i...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50211079
PNG
(CHEMBL3934626)
Show SMILES COc1ccc(CCNc2nc(N)c3nc(sc3n2)-c2ccco2)cc1
Show InChI InChI=1S/C18H17N5O2S/c1-24-12-6-4-11(5-7-12)8-9-20-18-22-15(19)14-17(23-18)26-16(21-14)13-3-2-10-25-13/h2-7,10H,8-9H2,1H3,(H3,19,20,22,23)
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n/an/a 31n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity against human adenosine A2A receptor expressed in CHO cells assessed as inhibition of CGS21680-stimulated cAMP accumulation measu...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50059840
PNG
(CHEMBL3394263)
Show SMILES CCCN(CCc1cccc2NC(=O)Cc12)c1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C21H22N8O2/c1-2-9-28(10-8-13-5-3-6-15-14(13)12-17(30)23-15)20-25-19(22)29-21(26-20)24-18(27-29)16-7-4-11-31-16/h3-7,11H,2,8-10,12H2,1H3,(H,23,30)(H2,22,24,25,26,27)
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n/an/a 32n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human adenosine A2A receptor expressed in FlpIn-CHO cells assessed as inhibition of NECA-induced cAMP accumulation incubated for 30 min...


J Med Chem 58: 718-38 (2015)


Article DOI: 10.1021/jm501254d
BindingDB Entry DOI: 10.7270/Q2N87CGR
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50059840
PNG
(CHEMBL3394263)
Show SMILES CCCN(CCc1cccc2NC(=O)Cc12)c1nc(N)n2nc(nc2n1)-c1ccco1
Show InChI InChI=1S/C21H22N8O2/c1-2-9-28(10-8-13-5-3-6-15-14(13)12-17(30)23-15)20-25-19(22)29-21(26-20)24-18(27-29)16-7-4-11-31-16/h3-7,11H,2,8-10,12H2,1H3,(H,23,30)(H2,22,24,25,26,27)
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n/an/a 32n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human adenosine A2A receptor expressed in FlpIn-CHO cells assessed as inhibition of NECA-induced cAMP accumulation incubated for 30 min...


J Med Chem 58: 718-38 (2015)


Article DOI: 10.1021/jm501254d
BindingDB Entry DOI: 10.7270/Q2N87CGR
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50372029
PNG
(CHEMBL256489)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(CNC(=O)NCCN(C3CCCCC3)C(C)(C)C)nc12
Show InChI InChI=1S/C40H55N9O5/c1-5-41-37(52)34-32(50)33(51)38(54-34)48-25-45-31-35(43-23-29(26-15-9-6-10-16-26)27-17-11-7-12-18-27)46-30(47-36(31)48)24-44-39(53)42-21-22-49(40(2,3)4)28-19-13-8-14-20-28/h6-7,9-12,15-18,25,28-29,32-34,38,50-51H,5,8,13-14,19-24H2,1-4H3,(H,41,52)(H2,42,44,53)(H,43,46,47)/t32-,33+,34-,38+/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A2A receptor


Bioorg Med Chem Lett 18: 1284-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.033
BindingDB Entry DOI: 10.7270/Q22808F4
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50199699
PNG
(CHEMBL3986586)
Show SMILES CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1cccc(c1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C31H31Cl2N7O4/c1-2-40-30(42)27(36-31(43)37-28-24(32)18-34-19-25(28)33)17-26(38-40)22-7-3-5-20(15-22)21-6-4-8-23(16-21)29(41)35-9-10-39-11-13-44-14-12-39/h3-8,15-19H,2,9-14H2,1H3,(H,35,41)(H2,34,36,37,43)
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n/an/a 33n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2a receptor (unknown origin)


J Med Chem 59: 10479-10497 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00829
BindingDB Entry DOI: 10.7270/Q21G0P75
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM21190
PNG
(4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...)
Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)
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n/an/a 33n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human adenosine A2A receptor expressed in FlpIn-CHO cells assessed as inhibition of NECA-induced cAMP accumulation incubated for 30 min...


J Med Chem 58: 718-38 (2015)


Article DOI: 10.1021/jm501254d
BindingDB Entry DOI: 10.7270/Q2N87CGR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine receptor A2


(Homo sapiens (Human))
BDBM21190
PNG
(4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...)
Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)
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n/an/a 33n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human adenosine A2A receptor expressed in FlpIn-CHO cells assessed as inhibition of NECA-induced cAMP accumulation incubated for 30 min...


J Med Chem 58: 718-38 (2015)


Article DOI: 10.1021/jm501254d
BindingDB Entry DOI: 10.7270/Q2N87CGR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50199702
PNG
(CHEMBL3952586)
Show SMILES CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1cccc(c1)C(=O)NC1CC1
Show InChI InChI=1S/C28H24Cl2N6O3/c1-2-36-27(38)24(33-28(39)34-25-21(29)14-31-15-22(25)30)13-23(35-36)18-7-3-5-16(11-18)17-6-4-8-19(12-17)26(37)32-20-9-10-20/h3-8,11-15,20H,2,9-10H2,1H3,(H,32,37)(H2,31,33,34,39)
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n/an/a 33n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2a receptor (unknown origin)


J Med Chem 59: 10479-10497 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00829
BindingDB Entry DOI: 10.7270/Q21G0P75
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50211088
PNG
(CHEMBL3935610)
Show SMILES Nc1nc(NCCc2ccccc2)nc2sc(nc12)-c1ccco1
Show InChI InChI=1S/C17H15N5OS/c18-14-13-16(24-15(20-13)12-7-4-10-23-12)22-17(21-14)19-9-8-11-5-2-1-3-6-11/h1-7,10H,8-9H2,(H3,18,19,21,22)
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n/an/a 35n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inverse agonist activity at human adenosine A2A receptor expressed in CHO cells assessed as inhibition of cAMP accumulation measured after 150 mins i...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50059796
PNG
(CHEMBL3394253)
Show SMILES CCCN(CCCNC(=O)CCCC(=O)Oc1ccc(CCNc2nc(N)n3nc(nc3n2)-c2ccco2)cc1)CCc1cccc2NC(=O)Cc12
Show InChI InChI=1S/C37H44N10O5/c1-2-20-46(22-17-26-7-3-8-29-28(26)24-32(49)41-29)21-6-18-39-31(48)10-4-11-33(50)52-27-14-12-25(13-15-27)16-19-40-36-43-35(38)47-37(44-36)42-34(45-47)30-9-5-23-51-30/h3,5,7-9,12-15,23H,2,4,6,10-11,16-22,24H2,1H3,(H,39,48)(H,41,49)(H3,38,40,42,43,44,45)
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n/an/a 35n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human adenosine A2A receptor expressed in FlpIn-CHO cells assessed as inhibition of NECA-induced cAMP accumulation incubated for 30 min...


J Med Chem 58: 718-38 (2015)


Article DOI: 10.1021/jm501254d
BindingDB Entry DOI: 10.7270/Q2N87CGR
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50059796
PNG
(CHEMBL3394253)
Show SMILES CCCN(CCCNC(=O)CCCC(=O)Oc1ccc(CCNc2nc(N)n3nc(nc3n2)-c2ccco2)cc1)CCc1cccc2NC(=O)Cc12
Show InChI InChI=1S/C37H44N10O5/c1-2-20-46(22-17-26-7-3-8-29-28(26)24-32(49)41-29)21-6-18-39-31(48)10-4-11-33(50)52-27-14-12-25(13-15-27)16-19-40-36-43-35(38)47-37(44-36)42-34(45-47)30-9-5-23-51-30/h3,5,7-9,12-15,23H,2,4,6,10-11,16-22,24H2,1H3,(H,39,48)(H,41,49)(H3,38,40,42,43,44,45)
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n/an/a 35n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human adenosine A2A receptor expressed in FlpIn-CHO cells assessed as inhibition of NECA-induced cAMP accumulation incubated for 30 min...


J Med Chem 58: 718-38 (2015)


Article DOI: 10.1021/jm501254d
BindingDB Entry DOI: 10.7270/Q2N87CGR
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50309487
PNG
(CHEMBL601515 | N-((2S,3S,4R,5R)-5-(6-(2,2-diphenyl...)
Show SMILES CC(C)n1cnc(CCNc2nc(NCC(c3ccccc3)c3ccccc3)c3ncn([C@@H]4C[C@H](NC(=O)C5CCC5)[C@@H](O)[C@H]4O)c3n2)c1
Show InChI InChI=1S/C37H45N9O3/c1-23(2)45-20-27(40-21-45)16-17-38-37-43-34(39-19-28(24-10-5-3-6-11-24)25-12-7-4-8-13-25)31-35(44-37)46(22-41-31)30-18-29(32(47)33(30)48)42-36(49)26-14-9-15-26/h3-8,10-13,20-23,26,28-30,32-33,47-48H,9,14-19H2,1-2H3,(H,42,49)(H2,38,39,43,44)/t29-,30+,32+,33-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A2A receptor in human neutrophils assessed as inhibition of fMLP-induced reactive oxygen species release by chemilumine...


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


Article DOI: 10.1016/j.bmcl.2009.11.131
BindingDB Entry DOI: 10.7270/Q2X92BDC
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50199701
PNG
(CHEMBL3968147)
Show SMILES CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1cccc(c1)C(=O)NCCCCCCCN(C)CCO
Show InChI InChI=1S/C35H41Cl2N7O4/c1-3-44-34(47)31(40-35(48)41-32-28(36)22-38-23-29(32)37)21-30(42-44)26-13-9-11-24(19-26)25-12-10-14-27(20-25)33(46)39-15-7-5-4-6-8-16-43(2)17-18-45/h9-14,19-23,45H,3-8,15-18H2,1-2H3,(H,39,46)(H2,38,40,41,48)
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n/an/a 41n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2a receptor (unknown origin)


J Med Chem 59: 10479-10497 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00829
BindingDB Entry DOI: 10.7270/Q21G0P75
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50059883
PNG
(CHEMBL3394258)
Show SMILES CCCN(CCCNC(=O)CCCCCCCNC(=O)CCCOc1ccc(CCNc2nc(N)n3nc(nc3n2)-c2ccco2)cc1)CCc1cccc2NC(=O)Cc12
Show InChI InChI=1S/C44H59N11O5/c1-2-26-54(28-22-33-12-8-13-36-35(33)31-40(58)49-36)27-11-24-47-38(56)15-6-4-3-5-7-23-46-39(57)16-10-29-59-34-19-17-32(18-20-34)21-25-48-43-51-42(45)55-44(52-43)50-41(53-55)37-14-9-30-60-37/h8-9,12-14,17-20,30H,2-7,10-11,15-16,21-29,31H2,1H3,(H,46,57)(H,47,56)(H,49,58)(H3,45,48,50,51,52,53)
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n/an/a 41n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human adenosine A2A receptor expressed in FlpIn-CHO cells assessed as inhibition of NECA-induced cAMP accumulation incubated for 30 min...


J Med Chem 58: 718-38 (2015)


Article DOI: 10.1021/jm501254d
BindingDB Entry DOI: 10.7270/Q2N87CGR
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50059883
PNG
(CHEMBL3394258)
Show SMILES CCCN(CCCNC(=O)CCCCCCCNC(=O)CCCOc1ccc(CCNc2nc(N)n3nc(nc3n2)-c2ccco2)cc1)CCc1cccc2NC(=O)Cc12
Show InChI InChI=1S/C44H59N11O5/c1-2-26-54(28-22-33-12-8-13-36-35(33)31-40(58)49-36)27-11-24-47-38(56)15-6-4-3-5-7-23-46-39(57)16-10-29-59-34-19-17-32(18-20-34)21-25-48-43-51-42(45)55-44(52-43)50-41(53-55)37-14-9-30-60-37/h8-9,12-14,17-20,30H,2-7,10-11,15-16,21-29,31H2,1H3,(H,46,57)(H,47,56)(H,49,58)(H3,45,48,50,51,52,53)
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n/an/a 41n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human adenosine A2A receptor expressed in FlpIn-CHO cells assessed as inhibition of NECA-induced cAMP accumulation incubated for 30 min...


J Med Chem 58: 718-38 (2015)


Article DOI: 10.1021/jm501254d
BindingDB Entry DOI: 10.7270/Q2N87CGR
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50211079
PNG
(CHEMBL3934626)
Show SMILES COc1ccc(CCNc2nc(N)c3nc(sc3n2)-c2ccco2)cc1
Show InChI InChI=1S/C18H17N5O2S/c1-24-12-6-4-11(5-7-12)8-9-20-18-22-15(19)14-17(23-18)26-16(21-14)13-3-2-10-25-13/h2-7,10H,8-9H2,1H3,(H3,19,20,22,23)
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n/an/a 42n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inverse agonist activity at human adenosine A2A receptor expressed in CHO cells assessed as inhibition of cAMP accumulation measured after 150 mins i...


J Med Chem 59: 10564-10576 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01068
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316203
PNG
(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)te...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(nc12)C(=O)NCCNC(=O)NCCN1CCCCC1
Show InChI InChI=1S/C35H45N9O6/c45-21-26-28(46)29(47)34(50-26)44-22-40-27-30(39-20-25(23-10-4-1-5-11-23)24-12-6-2-7-13-24)41-31(42-32(27)44)33(48)36-14-15-37-35(49)38-16-19-43-17-8-3-9-18-43/h1-2,4-7,10-13,22,25-26,28-29,34,45-47H,3,8-9,14-21H2,(H,36,48)(H2,37,38,49)(H,39,41,42)/t26-,28-,29-,34-/m1/s1
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n/an/a 45n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A2A receptor in fMLP-stimulated human neutrophils assessed as inhibition of superoxide production by colorimetric analy...


Bioorg Med Chem Lett 19: 4471-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.027
BindingDB Entry DOI: 10.7270/Q2ST7Q0C
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50117218
PNG
(5-Butyl-8-methyl-3H-[1,2,4]triazolo[5,1-i]purine |...)
Show SMILES CCCCc1nc2ncnc2c2nc(C)[nH]n12
Show InChI InChI=1S/C11H14N6/c1-3-4-5-8-15-10-9(12-6-13-10)11-14-7(2)16-17(8)11/h6H,3-5H2,1-2H3,(H,14,16)
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n/an/a 46n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS-21,680 binding to human Adenosine A2A receptor expressed in HEK-293 cells


J Med Chem 45: 3703-8 (2002)


Article DOI: 10.1021/jm010570p
BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50117229
PNG
(8-Benzyl-5-butyl-3H-[1,2,4]triazolo[5,1-i]purine |...)
Show SMILES CCCCc1nc2ncnc2c2nc(Cc3ccccc3)[nH]n12
Show InChI InChI=1S/C17H18N6/c1-2-3-9-14-21-16-15(18-11-19-16)17-20-13(22-23(14)17)10-12-7-5-4-6-8-12/h4-8,11H,2-3,9-10H2,1H3,(H,20,22)
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n/an/a 47n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS-21,680 binding to human Adenosine A2A receptor expressed in HEK-293 cells


J Med Chem 45: 3703-8 (2002)


Article DOI: 10.1021/jm010570p
BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50125908
PNG
(CHEMBL20888 | CHEMBL544678 | N*9*-Ethyl-2-furan-2-...)
Show SMILES CCNc1n(C)nc2nc(N)n3nc(nc3c12)-c1ccco1
Show InChI InChI=1S/C13H14N8O/c1-3-15-11-8-10(18-20(11)2)17-13(14)21-12(8)16-9(19-21)7-5-4-6-22-7/h4-6,15H,3H2,1-2H3,(H2,14,17,18)
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n/an/a 48n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity as inhibition of cAMP generation after agonist-modulation of human Adenosine A2A receptor with 100 nM NECA


J Med Chem 46: 1229-41 (2003)


Article DOI: 10.1021/jm021023m
BindingDB Entry DOI: 10.7270/Q28916KP
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50080288
PNG
(CHEMBL81616 | N-[2-(5,6-Dimethyl-2-phenyl-7H-pyrro...)
Show SMILES CC(=O)NCCNc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1
Show InChI InChI=1S/C18H21N5O/c1-11-12(2)21-18-15(11)17(20-10-9-19-13(3)24)22-16(23-18)14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3,(H,19,24)(H2,20,21,22,23)
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n/an/a 48n/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [3H]-CGS-21,680 to human A2a receptor (hA2a) using competition binding assay


Bioorg Med Chem Lett 9: 2413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00398-4
BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50080288
PNG
(CHEMBL81616 | N-[2-(5,6-Dimethyl-2-phenyl-7H-pyrro...)
Show SMILES CC(=O)NCCNc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1
Show InChI InChI=1S/C18H21N5O/c1-11-12(2)21-18-15(11)17(20-10-9-19-13(3)24)22-16(23-18)14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3,(H,19,24)(H2,20,21,22,23)
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n/an/a 48n/an/an/an/an/an/a



Cadus Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [3H]-CGS-21,680 to human A2a receptor (hA2a) using competition binding assay


Bioorg Med Chem Lett 9: 2413-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00398-4
BindingDB Entry DOI: 10.7270/Q2PR7V5N
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50310912
PNG
((2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin...)
Show SMILES O=C(c1cccs1)c1nc(NCc2cccnc2)nc2ccsc12
Show InChI InChI=1S/C17H12N4OS2/c22-15(13-4-2-7-23-13)14-16-12(5-8-24-16)20-17(21-14)19-10-11-3-1-6-18-9-11/h1-9H,10H2,(H,19,20,21)
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n/an/a 51n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human adeosine A2A receptor expressed in CHOK1 cells assessed as inhibition of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 5945-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.040
BindingDB Entry DOI: 10.7270/Q2W09611
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50309473
PNG
((2R,3R,4S,5S)-2-(6-amino-2-((S)-1-hydroxy-3-phenyl...)
Show SMILES Cc1cnn(c1)[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccccc3)nc12
Show InChI InChI=1S/C23H28N8O3/c1-13-9-26-31(10-13)17-8-16(19(33)20(17)34)30-12-25-18-21(24)28-23(29-22(18)30)27-15(11-32)7-14-5-3-2-4-6-14/h2-6,9-10,12,15-17,19-20,32-34H,7-8,11H2,1H3,(H3,24,27,28,29)/t15-,16+,17-,19-,20+/m0/s1
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n/an/a 56n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A2A receptor in human neutrophils assessed as inhibition of fMLP-induced reactive oxygen species release by chemilumine...


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


Article DOI: 10.1016/j.bmcl.2009.11.131
BindingDB Entry DOI: 10.7270/Q2X92BDC
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50117227
PNG
(5-Butyl-8-(3-chloro-phenyl)-3H-[1,2,4]triazolo[5,1...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1cccc(Cl)c1
Show InChI InChI=1S/C16H15ClN6/c1-2-3-7-12-20-15-13(18-9-19-15)16-21-14(22-23(12)16)10-5-4-6-11(17)8-10/h4-6,8-9H,2-3,7H2,1H3,(H,18,19)
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n/an/a 56n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS-21,680 binding to human Adenosine A2A receptor expressed in HEK-293 cells


J Med Chem 45: 3703-8 (2002)


Article DOI: 10.1021/jm010570p
BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50117224
PNG
(4-(5-Butyl-3H-[1,2,4]triazolo[5,1-i]purin-8-yl)-ph...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(O)cc1
Show InChI InChI=1S/C16H16N6O/c1-2-3-4-12-19-15-13(17-9-18-15)16-20-14(21-22(12)16)10-5-7-11(23)8-6-10/h5-9,23H,2-4H2,1H3,(H,17,18)
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n/an/a 58n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS-21,680 binding to human Adenosine A2A receptor expressed in HEK-293 cells


J Med Chem 45: 3703-8 (2002)


Article DOI: 10.1021/jm010570p
BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50199618
PNG
(CHEMBL3896989)
Show SMILES CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1cccc(CC(=O)NCCCCCCCN(C)CCO)c1
Show InChI InChI=1S/C36H43Cl2N7O4/c1-3-45-35(48)32(41-36(49)42-34-29(37)23-39-24-30(34)38)22-31(43-45)28-14-10-13-27(21-28)26-12-9-11-25(19-26)20-33(47)40-15-7-5-4-6-8-16-44(2)17-18-46/h9-14,19,21-24,46H,3-8,15-18,20H2,1-2H3,(H,40,47)(H2,39,41,42,49)
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n/an/a 59n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2a receptor (unknown origin)


J Med Chem 59: 10479-10497 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00829
BindingDB Entry DOI: 10.7270/Q21G0P75
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50059799
PNG
(CHEMBL3394276)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CCc2cccc3NC(=O)Cc23)CC1
Show InChI InChI=1S/C22H23N9O2/c23-20-26-21(27-22-25-19(28-31(20)22)17-5-2-12-33-17)30-10-8-29(9-11-30)7-6-14-3-1-4-16-15(14)13-18(32)24-16/h1-5,12H,6-11,13H2,(H,24,32)(H2,23,25,26,27,28)
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n/an/a 59n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human adenosine A2A receptor expressed in FlpIn-CHO cells assessed as inhibition of NECA-induced cAMP accumulation incubated for 30 min...


J Med Chem 58: 718-38 (2015)


Article DOI: 10.1021/jm501254d
BindingDB Entry DOI: 10.7270/Q2N87CGR
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50059799
PNG
(CHEMBL3394276)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CCc2cccc3NC(=O)Cc23)CC1
Show InChI InChI=1S/C22H23N9O2/c23-20-26-21(27-22-25-19(28-31(20)22)17-5-2-12-33-17)30-10-8-29(9-11-30)7-6-14-3-1-4-16-15(14)13-18(32)24-16/h1-5,12H,6-11,13H2,(H,24,32)(H2,23,25,26,27,28)
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n/an/a 59n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human adenosine A2A receptor expressed in FlpIn-CHO cells assessed as inhibition of NECA-induced cAMP accumulation incubated for 30 min...


J Med Chem 58: 718-38 (2015)


Article DOI: 10.1021/jm501254d
BindingDB Entry DOI: 10.7270/Q2N87CGR
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50372027
PNG
(CHEMBL270378)
Show SMILES COC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCN3CCCCC3)nc12
Show InChI InChI=1S/C32H41N7O4/c1-42-20-25-27(40)28(41)31(43-25)39-21-35-26-29(36-32(37-30(26)39)33-15-18-38-16-9-4-10-17-38)34-19-24(22-11-5-2-6-12-22)23-13-7-3-8-14-23/h2-3,5-8,11-14,21,24-25,27-28,31,40-41H,4,9-10,15-20H2,1H3,(H2,33,34,36,37)/t25-,27-,28-,31-/m1/s1
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n/an/a 60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A2A receptor


Bioorg Med Chem Lett 18: 1284-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.033
BindingDB Entry DOI: 10.7270/Q22808F4
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50309486
PNG
(CHEMBL589348 | N-((2S,3S,4R,5R)-5-(6-(2,2-diphenyl...)
Show SMILES CC(C)n1cnc(CCNc2nc(NCC(c3ccccc3)c3ccccc3)c3ncn([C@@H]4C[C@H](NC(=O)C5CC5)[C@@H](O)[C@H]4O)c3n2)c1
Show InChI InChI=1S/C36H43N9O3/c1-22(2)44-19-26(39-20-44)15-16-37-36-42-33(38-18-27(23-9-5-3-6-10-23)24-11-7-4-8-12-24)30-34(43-36)45(21-40-30)29-17-28(31(46)32(29)47)41-35(48)25-13-14-25/h3-12,19-22,25,27-29,31-32,46-47H,13-18H2,1-2H3,(H,41,48)(H2,37,38,42,43)/t28-,29+,31+,32-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A2A receptor in human neutrophils assessed as inhibition of fMLP-induced reactive oxygen species release by chemilumine...


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


Article DOI: 10.1016/j.bmcl.2009.11.131
BindingDB Entry DOI: 10.7270/Q2X92BDC
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50064697
PNG
(4-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]t...)
Show SMILES Nc1nc2n(CCCc3ccc(O)c(O)c3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C19H17N7O3/c20-19-23-17-12(18-22-16(24-26(18)19)15-4-2-8-29-15)10-21-25(17)7-1-3-11-5-6-13(27)14(28)9-11/h2,4-6,8-10,27-28H,1,3,7H2,(H2,20,23)
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n/an/a 60n/an/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of 1 uM NECA-stimulated cyclic AMP levels in human platelets


J Med Chem 41: 2126-33 (1998)


Article DOI: 10.1021/jm9708689
BindingDB Entry DOI: 10.7270/Q2251H9K
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50125911
PNG
(1-(9-Ethylamino-2-furan-2-yl-8-methyl-8H-pyrazolo[...)
Show SMILES CCNc1n(C)nc2nc(NC(=O)Nc3ccc(OC)cc3)n3nc(nc3c12)-c1ccco1
Show InChI InChI=1S/C21H21N9O3/c1-4-22-18-15-17(27-29(18)2)25-20(26-21(31)23-12-7-9-13(32-3)10-8-12)30-19(15)24-16(28-30)14-6-5-11-33-14/h5-11,22H,4H2,1-3H3,(H2,23,25,26,27,31)
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n/an/a 61n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity as inhibition of cAMP generation after agonist-modulation of human Adenosine A2A receptor with 100 nM NECA


J Med Chem 46: 1229-41 (2003)


Article DOI: 10.1021/jm021023m
BindingDB Entry DOI: 10.7270/Q28916KP
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50310921
PNG
(CHEMBL1080068 | {6-Chloro-2-[(pyridin-3-ylmethyl)-...)
Show SMILES Clc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1
Show InChI InChI=1S/C17H11ClN4OS2/c18-13-7-11-16(25-13)14(15(23)12-4-2-6-24-12)22-17(21-11)20-9-10-3-1-5-19-8-10/h1-8H,9H2,(H,20,21,22)
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n/an/a 62n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human adeosine A2A receptor expressed in CHOK1 cells assessed as inhibition of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 5945-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.040
BindingDB Entry DOI: 10.7270/Q2W09611
More data for this
Ligand-Target Pair
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