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Compile Data Set for Download or QSAR

Found 18204 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A2A


(Homo sapiens (human))
BDBM50315548
PNG
(8-(2-Thioxo-7(3-m-iodophenyl)-2-(2-furyl)thiazolo[...)
Show SMILES Ic1cccc(c1)-n1c2ncn3nc(nc3c2sc1=S)-c1ccco1
Show InChI InChI=1S/C16H8IN5OS2/c17-9-3-1-4-10(7-9)22-14-12(25-16(22)24)15-19-13(11-5-2-6-23-11)20-21(15)8-18-14/h1-8H
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0.00820n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by rapid filtration assay


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A3


(Homo sapiens (human))
BDBM50117109
PNG
(1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccncc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C17H13N9O2/c1-25-9-11-13(23-25)21-16(22-17(27)19-10-4-6-18-7-5-10)26-15(11)20-14(24-26)12-3-2-8-28-12/h2-9H,1H3,(H2,18,19,21,22,23,27)
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0.0100n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counter


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A3


(Homo sapiens (human))
BDBM50117108
PNG
(4-[3-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1cc[nH+]cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C17H13N9O2/c1-25-9-11-13(23-25)21-16(22-17(27)19-10-4-6-18-7-5-10)26-15(11)20-14(24-26)12-3-2-8-28-12/h2-9H,1H3,(H2,18,19,21,22,23,27)/p+1
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0.0100n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A3


(Homo sapiens (human))
BDBM50117108
PNG
(4-[3-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1cc[nH+]cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C17H13N9O2/c1-25-9-11-13(23-25)21-16(22-17(27)19-10-4-6-18-7-5-10)26-15(11)20-14(24-26)12-3-2-8-28-12/h2-9H,1H3,(H2,18,19,21,22,23,27)/p+1
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0.0100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE 3008-F20 from Human Adenosine A3 receptor expressed in HEK-293 cells


J Med Chem 45: 3579-82 (2002)

More data for this
Ligand-Target Pair
Adenosine Receptor A3


(Homo sapiens (human))
BDBM50343133
PNG
(1-(3-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)N[n+]1ccccc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C17H13N9O2/c1-24-10-11-13(21-24)19-16(20-17(27)23-25-7-3-2-4-8-25)26-15(11)18-14(22-26)12-6-5-9-28-12/h2-10H,1H3,(H-,19,20,21,23,27)/p+1
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0.0100n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A3 receptor


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A3


(Homo sapiens (human))
BDBM50117108
PNG
(4-[3-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1cc[nH+]cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C17H13N9O2/c1-25-9-11-13(23-25)21-16(22-17(27)19-10-4-6-18-7-5-10)26-15(11)20-14(24-26)12-3-2-8-28-12/h2-9H,1H3,(H2,18,19,21,22,23,27)/p+1
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0.0140n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in HEK293 cells


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


(Homo sapiens (human))
BDBM50315541
PNG
(8-(2-Thioxo-7(3-allyl)-2-(2-furyl)thiazole[4,3-e]1...)
Show SMILES C=CCn1c2ncn3nc(nc3c2sc1=S)-c1ccco1
Show InChI InChI=1S/C13H9N5OS2/c1-2-5-17-11-9(21-13(17)20)12-15-10(8-4-3-6-19-8)16-18(12)7-14-11/h2-4,6-7H,1,5H2
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0.0160n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by rapid filtration assay


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A1


(Homo sapiens (human))
BDBM50315544
PNG
(8-(2-Thioxo-7(3-p-chlorophenyl.)-2-(2-furyl)thiazo...)
Show SMILES Clc1ccc(cc1)-n1c2ncn3nc(nc3c2sc1=S)-c1ccco1
Show InChI InChI=1S/C16H8ClN5OS2/c17-9-3-5-10(6-4-9)22-14-12(25-16(22)24)15-19-13(11-2-1-7-23-11)20-21(15)8-18-14/h1-8H
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0.0300n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells after 60 mins by rapid filtration assay


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


(Homo sapiens (human))
BDBM50085666
PNG
((2S,3S,4R,5R)-5-{6-(2,2-Diphenyl-ethylamino)-2-[2-...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCc3cnc[nH]3)nc12
Show InChI InChI=1S/C31H35N9O4/c1-2-33-29(43)26-24(41)25(42)30(44-26)40-18-37-23-27(38-31(39-28(23)40)34-14-13-21-15-32-17-36-21)35-16-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,15,17-18,22,24-26,30,41-42H,2,13-14,16H2,1H3,(H,32,36)(H,33,43)(H2,34,35,38,39)/t24-,25+,26-,30+/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



Glaxo Wellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
In vitro inhibition of human neutrophil activation via Adenosine A2A receptor.


Bioorg Med Chem Lett 10: 403-6 (2000)

More data for this
Ligand-Target Pair
Adenosine receptor A2A


(Homo sapiens (human))
BDBM50315545
PNG
(8-(2-Thioxo-7(3-m-chlorophenyl)-2-(2-furyl)thiazol...)
Show SMILES Clc1cccc(c1)-n1c2ncn3nc(nc3c2sc1=S)-c1ccco1
Show InChI InChI=1S/C16H8ClN5OS2/c17-9-3-1-4-10(7-9)22-14-12(25-16(22)24)15-19-13(11-5-2-6-23-11)20-21(15)8-18-14/h1-8H
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0.0380n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by rapid filtration assay


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A3


(Homo sapiens (human))
BDBM50117109
PNG
(1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccncc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C17H13N9O2/c1-25-9-11-13(23-25)21-16(22-17(27)19-10-4-6-18-7-5-10)26-15(11)20-14(24-26)12-3-2-8-28-12/h2-9H,1H3,(H2,18,19,21,22,23,27)
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0.0400n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE 3008-F20 from Human Adenosine A3 receptor expressed in HEK-293 cells


J Med Chem 45: 3579-82 (2002)

More data for this
Ligand-Target Pair
Adenosine Receptor A3


(Homo sapiens (human))
BDBM50117109
PNG
(1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccncc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C17H13N9O2/c1-25-9-11-13(23-25)21-16(22-17(27)19-10-4-6-18-7-5-10)26-15(11)20-14(24-26)12-3-2-8-28-12/h2-9H,1H3,(H2,18,19,21,22,23,27)
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0.0400n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A3


(Homo sapiens (human))
BDBM50117109
PNG
(1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccncc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C17H13N9O2/c1-25-9-11-13(23-25)21-16(22-17(27)19-10-4-6-18-7-5-10)26-15(11)20-14(24-26)12-3-2-8-28-12/h2-9H,1H3,(H2,18,19,21,22,23,27)
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0.0400n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A3


(Homo sapiens (human))
BDBM50117109
PNG
(1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccncc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C17H13N9O2/c1-25-9-11-13(23-25)21-16(22-17(27)19-10-4-6-18-7-5-10)26-15(11)20-14(24-26)12-3-2-8-28-12/h2-9H,1H3,(H2,18,19,21,22,23,27)
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0.0460n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in HEK293 cells


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


(Homo sapiens (human))
BDBM50094037
PNG
(2-Furan-2-yl-7-[3-(4-methoxy-phenyl)-propyl]-7H-py...)
Show SMILES COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Show InChI InChI=1S/C20H19N7O2/c1-28-14-8-6-13(7-9-14)4-2-10-26-18-15(12-22-26)19-23-17(16-5-3-11-29-16)25-27(19)20(21)24-18/h3,5-9,11-12H,2,4,10H2,1H3,(H2,21,24)
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>0.0480n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2a receptor


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


(Homo sapiens (human))
BDBM50094037
PNG
(2-Furan-2-yl-7-[3-(4-methoxy-phenyl)-propyl]-7H-py...)
Show SMILES COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Show InChI InChI=1S/C20H19N7O2/c1-28-14-8-6-13(7-9-14)4-2-10-26-18-15(12-22-26)19-23-17(16-5-3-11-29-16)25-27(19)20(21)24-18/h3,5-9,11-12H,2,4,10H2,1H3,(H2,21,24)
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0.0480n/an/an/an/an/an/an/an/a



Universit£ di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


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


(Homo sapiens (human))
BDBM50094037
PNG
(2-Furan-2-yl-7-[3-(4-methoxy-phenyl)-propyl]-7H-py...)
Show SMILES COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Show InChI InChI=1S/C20H19N7O2/c1-28-14-8-6-13(7-9-14)4-2-10-26-18-15(12-22-26)19-23-17(16-5-3-11-29-16)25-27(19)20(21)24-18/h3,5-9,11-12H,2,4,10H2,1H3,(H2,21,24)
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0.0480n/an/an/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibitory activity against human adenosine A2A receptor expressed in HEK-293 cells by displacement of [3H]-SCH-58,261


J Med Chem 43: 4359-62 (2000)

More data for this
Ligand-Target Pair
Adenosine receptor A2A


(Homo sapiens (human))
BDBM50085674
PNG
((2S,3S,4R,5R)-5-[2-(4-Amino-cyclohexylamino)-6-(2,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12
Show InChI InChI=1S/C32H40N8O4/c1-2-34-30(43)27-25(41)26(42)31(44-27)40-18-36-24-28(38-32(39-29(24)40)37-22-15-13-21(33)14-16-22)35-17-23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18,21-23,25-27,31,41-42H,2,13-17,33H2,1H3,(H,34,43)(H2,35,37,38,39)/t21-,22-,25-,26+,27-,31+/m0/s1
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0.0500n/an/an/an/an/an/an/an/a



Glaxo Wellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
In vitro inhibition of human neutrophil activation via Adenosine A2A receptor.


Bioorg Med Chem Lett 10: 403-6 (2000)

More data for this
Ligand-Target Pair
Adenosine receptor A2A


(Homo sapiens (human))
BDBM50085671
PNG
((2S,3S,4R,5R)-5-[6-(2,2-Diphenyl-ethylamino)-2-(2-...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCN3CCCCC3)nc12
Show InChI InChI=1S/C33H42N8O4/c1-2-34-31(44)28-26(42)27(43)32(45-28)41-21-37-25-29(38-33(39-30(25)41)35-16-19-40-17-10-5-11-18-40)36-20-24(22-12-6-3-7-13-22)23-14-8-4-9-15-23/h3-4,6-9,12-15,21,24,26-28,32,42-43H,2,5,10-11,16-20H2,1H3,(H,34,44)(H2,35,36,38,39)/t26-,27+,28-,32+/m0/s1
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0.0800n/an/an/an/an/an/an/an/a



Glaxo Wellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
In vitro inhibition of human neutrophil activation via Adenosine A2A receptor.


Bioorg Med Chem Lett 10: 403-6 (2000)

More data for this
Ligand-Target Pair
Adenosine Receptor A1


(Homo sapiens (human))
BDBM50315538
PNG
(8-(2-Thioxo-7(3-ethyl)-2-(2-furyl)thiazolo[4,3-e]1...)
Show SMILES CCn1c2ncn3nc(nc3c2sc1=S)-c1ccco1
Show InChI InChI=1S/C12H9N5OS2/c1-2-16-10-8(20-12(16)19)11-14-9(7-4-3-5-18-7)15-17(11)6-13-10/h3-6H,2H2,1H3
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0.0960n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells after 60 mins by rapid filtration assay


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


(Homo sapiens (human))
BDBM50394718
PNG
(CHEMBL2165801)
Show SMILES Nc1nc2-c3cc(Cc4cnccc4Cl)ccc3C(=O)c2c(n1)-c1ccccc1
Show InChI InChI=1S/C23H15ClN4O/c24-18-8-9-26-12-15(18)10-13-6-7-16-17(11-13)21-19(22(16)29)20(27-23(25)28-21)14-4-2-1-3-5-14/h1-9,11-12H,10H2,(H2,25,27,28)
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0.100n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production


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


(Homo sapiens (human))
BDBM50317007
PNG
(2-amino-4-(furan-2-yl)-5H-indeno[1,2-d]pyrimidin-5...)
Show SMILES Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccco1
Show InChI InChI=1S/C15H9N3O2/c16-15-17-12-8-4-1-2-5-9(8)14(19)11(12)13(18-15)10-6-3-7-20-10/h1-7H,(H2,16,17,18)
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0.100n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant adenosine receptor A2a by cAMP assay


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


(Homo sapiens (human))
BDBM50202775
PNG
(8-(furan-2-yl)-3-(2-(4-(4-methoxyphenyl)piperazin-...)
Show SMILES COc1ccc(cc1)N1CCN(CCn2cnc3c2nc(N)n2nc(nc32)-c2ccco2)CC1
Show InChI InChI=1S/C23H25N9O2/c1-33-17-6-4-16(5-7-17)30-11-8-29(9-12-30)10-13-31-15-25-19-21(31)27-23(24)32-22(19)26-20(28-32)18-3-2-14-34-18/h2-7,14-15H,8-13H2,1H3,(H2,24,27)
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0.100n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2A receptor


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


(Homo sapiens (human))
BDBM50161342
PNG
(2-Amino-4-phenyl-indeno[1,2-d]pyrimidin-5-one | 2-...)
Show SMILES Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccccc1
Show InChI InChI=1S/C17H11N3O/c18-17-19-14(10-6-2-1-3-7-10)13-15(20-17)11-8-4-5-9-12(11)16(13)21/h1-9H,(H2,18,19,20)
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0.100n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2A receptor


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


(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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0.100n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Binding affinity towards human Adenosine A2a receptor expressed in HEK293 cells using 6 nM [3H]CGS-21680


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


(Homo sapiens (human))
BDBM50085668
PNG
((2S,3S,4R,5R)-5-[6-Amino-2-((1R,2R)-2-hydroxy-cycl...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@@H]3CCC[C@H]3O)nc12
Show InChI InChI=1S/C17H25N7O5/c1-2-19-15(28)12-10(26)11(27)16(29-12)24-6-20-9-13(18)22-17(23-14(9)24)21-7-4-3-5-8(7)25/h6-8,10-12,16,25-27H,2-5H2,1H3,(H,19,28)(H3,18,21,22,23)/t7-,8-,10+,11-,12+,16-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Glaxo Wellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
In vitro inhibition of human neutrophil activation via Adenosine A2A receptor.


Bioorg Med Chem Lett 10: 403-6 (2000)

More data for this
Ligand-Target Pair
Adenosine receptor A2A


(Homo sapiens (human))
BDBM50317007
PNG
(2-amino-4-(furan-2-yl)-5H-indeno[1,2-d]pyrimidin-5...)
Show SMILES Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccco1
Show InChI InChI=1S/C15H9N3O2/c16-15-17-12-8-4-1-2-5-9(8)14(19)11(12)13(18-15)10-6-3-7-20-10/h1-7H,(H2,16,17,18)
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0.100n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2A receptor


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


(Homo sapiens (human))
BDBM50202775
PNG
(8-(furan-2-yl)-3-(2-(4-(4-methoxyphenyl)piperazin-...)
Show SMILES COc1ccc(cc1)N1CCN(CCn2cnc3c2nc(N)n2nc(nc32)-c2ccco2)CC1
Show InChI InChI=1S/C23H25N9O2/c1-33-17-6-4-16(5-7-17)30-11-8-29(9-12-30)10-13-31-15-25-19-21(31)27-23(24)32-22(19)26-20(28-32)18-3-2-14-34-18/h2-7,14-15H,8-13H2,1H3,(H2,24,27)
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0.100n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A3


(Homo sapiens (human))
BDBM50315643
PNG
(CHEMBL1091268 | N-[2-(Phenyl)-8-methylpyrazolo[4,3...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccccc1
Show InChI InChI=1S/C21H17N7O/c1-27-13-16-19(25-27)24-21(22-17(29)12-14-8-4-2-5-9-14)28-20(16)23-18(26-28)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,22,24,25,29)
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0.108n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A3


(Homo sapiens (human))
BDBM50053927
PNG
(7-Methyl-2-phenyl-4-((E)-styryl)-1,4-dihydro-quino...)
Show SMILES CCOC(=O)C1C(\C=C\c2ccccc2)c2cc(C(=O)OCC)c(C)cc2N=C1c1ccccc1
Show InChI InChI=1S/C30H29NO4/c1-4-34-29(32)24-19-25-23(17-16-21-12-8-6-9-13-21)27(30(33)35-5-2)28(22-14-10-7-11-15-22)31-26(25)18-20(24)3/h6-19,23,27H,4-5H2,1-3H3/b17-16+
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0.110n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
In vitro binding affinity at human Adenosine A3 receptor from HEK-293 cells by [125I]-AB-MECA displacement.


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


(Homo sapiens (human))
BDBM50108043
PNG
(2,2'-(4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3...)
Show SMILES Nc1nc2n(CCc3ccc(cc3)N(CCO)CCO)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C22H24N8O3/c23-22-26-20-17(21-25-19(27-30(21)22)18-2-1-13-33-18)14-24-29(20)8-7-15-3-5-16(6-4-15)28(9-11-31)10-12-32/h1-6,13-14,31-32H,7-12H2,(H2,23,26)
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0.120n/an/an/an/an/an/an/an/a



Universit£ di Padova

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


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


(Homo sapiens (human))
BDBM50108043
PNG
(2,2'-(4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3...)
Show SMILES Nc1nc2n(CCc3ccc(cc3)N(CCO)CCO)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C22H24N8O3/c23-22-26-20-17(21-25-19(27-30(21)22)18-2-1-13-33-18)14-24-29(20)8-7-15-3-5-16(6-4-15)28(9-11-31)10-12-32/h1-6,13-14,31-32H,7-12H2,(H2,23,26)
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0.120n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-SCH- 58261 binding at human Adenosine A2A receptor expressed in HEK-293 cells.


J Med Chem 45: 115-26 (2001)

More data for this
Ligand-Target Pair
Adenosine receptor A2A


(Homo sapiens (human))
BDBM50315540
PNG
(8-(2-Thioxo-7(3-butyl)-2-(2-furyl),thiazolo,[4,3-e...)
Show SMILES CCCCn1c2ncn3nc(nc3c2sc1=S)-c1ccco1
Show InChI InChI=1S/C14H13N5OS2/c1-2-3-6-18-12-10(22-14(18)21)13-16-11(9-5-4-7-20-9)17-19(13)8-15-12/h4-5,7-8H,2-3,6H2,1H3
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0.120n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by rapid filtration assay


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


(Homo sapiens (human))
BDBM50108022
PNG
(4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...)
Show SMILES Nc1nc2n(CCc3ccc(cc3)S(=O)(=O)N(CCO)CCO)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C22H24N8O5S/c23-22-26-20-17(21-25-19(27-30(21)22)18-2-1-13-35-18)14-24-29(20)8-7-15-3-5-16(6-4-15)36(33,34)28(9-11-31)10-12-32/h1-6,13-14,31-32H,7-12H2,(H2,23,26)
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0.120n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2A receptor


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


(Homo sapiens (human))
BDBM50108020
PNG
(7-(3-(4-(aminomethyl)phenyl)propyl)-2-(furan-2-yl)...)
Show SMILES NCc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Show InChI InChI=1S/C20H20N8O/c21-11-14-7-5-13(6-8-14)3-1-9-27-18-15(12-23-27)19-24-17(16-4-2-10-29-16)26-28(19)20(22)25-18/h2,4-8,10,12H,1,3,9,11,21H2,(H2,22,25)
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0.130n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-SCH- 58261 binding at human Adenosine A2A receptor expressed in HEK-293 cells.


J Med Chem 45: 115-26 (2001)

More data for this
Ligand-Target Pair
Adenosine receptor A2A


(Homo sapiens (human))
BDBM50108020
PNG
(7-(3-(4-(aminomethyl)phenyl)propyl)-2-(furan-2-yl)...)
Show SMILES NCc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Show InChI InChI=1S/C20H20N8O/c21-11-14-7-5-13(6-8-14)3-1-9-27-18-15(12-23-27)19-24-17(16-4-2-10-29-16)26-28(19)20(22)25-18/h2,4-8,10,12H,1,3,9,11,21H2,(H2,22,25)
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0.130n/an/an/an/an/an/an/an/a



Universit£ di Padova

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Adenosine Receptor A3


(Homo sapiens (human))
BDBM50109445
PNG
(1-(8-Ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]t...)
Show SMILES CCn1cc2c(n1)nc(NC(=O)Nc1ccc(C)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C20H18N8O2/c1-3-27-11-14-16(25-27)23-19(24-20(29)21-13-8-6-12(2)7-9-13)28-18(14)22-17(26-28)15-5-4-10-30-15/h4-11H,3H2,1-2H3,(H2,21,23,24,25,29)
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0.140n/an/an/an/an/an/an/an/a



Universit£ di Padova

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Adenosine Receptor A3


(Homo sapiens (human))
BDBM50094696
PNG
(1-(2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazol...)
Show SMILES COc1ccc(NC(=O)Nc2nc3n[nH]cc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C18H14N8O3/c1-28-11-6-4-10(5-7-11)20-18(27)23-17-22-14-12(9-19-24-14)16-21-15(25-26(16)17)13-3-2-8-29-13/h2-9H,1H3,(H3,19,20,22,23,24,27)
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0.140n/an/an/an/an/an/an/an/a



Universit£ di Padova

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Adenosine Receptor A3


(Homo sapiens (human))
BDBM50109445
PNG
(1-(8-Ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]t...)
Show SMILES CCn1cc2c(n1)nc(NC(=O)Nc1ccc(C)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C20H18N8O2/c1-3-27-11-14-16(25-27)23-19(24-20(29)21-13-8-6-12(2)7-9-13)28-18(14)22-17(26-28)15-5-4-10-30-15/h4-11H,3H2,1-2H3,(H2,21,23,24,25,29)
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0.140n/an/an/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Binding affinity for human adenosine A3 receptor


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A3


(Homo sapiens (human))
BDBM50190441
PNG
(1-(8-ethyl-2-furan-2-yl-8,9b-dihydro-3H-pyrazolo[4...)
Show SMILES CCn1cc2C3NC(=NN3C(NC(=O)Nc3ccc(C)cc3)=Nc2n1)c1ccco1
Show InChI InChI=1S/C20H20N8O2/c1-3-27-11-14-16(25-27)23-19(24-20(29)21-13-8-6-12(2)7-9-13)28-18(14)22-17(26-28)15-5-4-10-30-15/h4-11,18H,3H2,1-2H3,(H,22,26)(H2,21,23,24,25,29)
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0.140n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A3


(Homo sapiens (human))
BDBM50094694
PNG
(1-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]qui...)
Show SMILES COc1ccc(NC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C21H15ClN6O3/c1-30-14-7-5-13(6-8-14)23-21(29)26-20-24-16-9-4-12(22)11-15(16)19-25-18(27-28(19)20)17-3-2-10-31-17/h2-11H,1H3,(H2,23,24,26,29)
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0.140n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 0.08-0.24


J Med Chem 45: 770-80 (2002)

More data for this
Ligand-Target Pair
Adenosine Receptor A3


(Homo sapiens (human))
BDBM50094696
PNG
(1-(2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazol...)
Show SMILES COc1ccc(NC(=O)Nc2nc3n[nH]cc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C18H14N8O3/c1-28-11-6-4-10(5-7-11)20-18(27)23-17-22-14-12(9-19-24-14)16-21-15(25-26(16)17)13-3-2-8-29-13/h2-9H,1H3,(H3,19,20,22,23,24,27)
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0.140n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 0.08-0.27


J Med Chem 43: 4768-80 (2000)

More data for this
Ligand-Target Pair
Adenosine Receptor A3


(Homo sapiens (human))
BDBM50094694
PNG
(1-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]qui...)
Show SMILES COc1ccc(NC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C21H15ClN6O3/c1-30-14-7-5-13(6-8-14)23-21(29)26-20-24-16-9-4-12(22)11-15(16)19-25-18(27-28(19)20)17-3-2-10-31-17/h2-11H,1H3,(H2,23,24,26,29)
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0.140n/an/an/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Binding affinity for human adenosine A3 receptor


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A3


(Homo sapiens (human))
BDBM50109445
PNG
(1-(8-Ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]t...)
Show SMILES CCn1cc2c(n1)nc(NC(=O)Nc1ccc(C)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C20H18N8O2/c1-3-27-11-14-16(25-27)23-19(24-20(29)21-13-8-6-12(2)7-9-13)28-18(14)22-17(26-28)15-5-4-10-30-15/h4-11H,3H2,1-2H3,(H2,21,23,24,25,29)
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0.140n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 0.11-0.18


J Med Chem 45: 770-80 (2002)

More data for this
Ligand-Target Pair
Adenosine receptor A2A


(Homo sapiens (human))
BDBM50004566
PNG
(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinaz...)
Show SMILES Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16)
PDB
MMDB

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0.140n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity for HA-tagged wild type human Adenosine A2A receptor (WT) using [3H]CGS-21680 as radioligand expressed in COS-7 cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A3


(Homo sapiens (human))
BDBM50094694
PNG
(1-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]qui...)
Show SMILES COc1ccc(NC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C21H15ClN6O3/c1-30-14-7-5-13(6-8-14)23-21(29)26-20-24-16-9-4-12(22)11-15(16)19-25-18(27-28(19)20)17-3-2-10-31-17/h2-11H,1H3,(H2,23,24,26,29)
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0.140n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 0.08-0.24


J Med Chem 43: 4768-80 (2000)

More data for this
Ligand-Target Pair
Adenosine Receptor A3


(Homo sapiens (human))
BDBM50094696
PNG
(1-(2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazol...)
Show SMILES COc1ccc(NC(=O)Nc2nc3n[nH]cc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C18H14N8O3/c1-28-11-6-4-10(5-7-11)20-18(27)23-17-22-14-12(9-19-24-14)16-21-15(25-26(16)17)13-3-2-8-29-13/h2-9H,1H3,(H3,19,20,22,23,24,27)
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0.140n/an/an/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Binding affinity for human adenosine A3 receptor


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A1


(Homo sapiens (human))
BDBM50055096
PNG
(CHEMBL3317576)
Show SMILES COc1cccc(CCCc2nc(N)c3nn(cc3n2)-c2ccccc2)c1
Show InChI InChI=1S/C21H21N5O/c1-27-17-11-5-7-15(13-17)8-6-12-19-23-18-14-26(16-9-3-2-4-10-16)25-20(18)21(22)24-19/h2-5,7,9-11,13-14H,6,8,12H2,1H3,(H2,22,23,24)
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0.150n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A3


(Homo sapiens (human))
BDBM50109481
PNG
(1-(2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,...)
Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C20H18N8O2/c1-2-10-27-12-14-16(25-27)23-19(24-20(29)21-13-7-4-3-5-8-13)28-18(14)22-17(26-28)15-9-6-11-30-15/h3-9,11-12H,2,10H2,1H3,(H2,21,23,24,25,29)
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0.150n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A3 receptor


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A3


(Homo sapiens (human))
BDBM50109481
PNG
(1-(2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,...)
Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C20H18N8O2/c1-2-10-27-12-14-16(25-27)23-19(24-20(29)21-13-7-4-3-5-8-13)28-18(14)22-17(26-28)15-9-6-11-30-15/h3-9,11-12H,2,10H2,1H3,(H2,21,23,24,25,29)
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0.150n/an/an/an/an/an/an/an/a



Universit£ di Padova

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
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