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4 similar compounds to monomer 50125912

Compile data set for download or QSAR
Wt: 255.2
BDBM50094701
Wt: 413.5
BDBM50125917
Wt: 405.4
BDBM50125926
Wt: 329.3
BDBM50125929

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 50094701,50125917,50125926,50125929   
Target/Host
(Institution)
LigandTarget/Host
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 A2


(Homo sapiens (Human))
BDBM50125929
PNG
(2-(furan-2-yl)-8-methyl-9-(propylthio)-8H-pyrazolo...)
Show SMILES CCCSc1n(C)nc2nc(N)n3nc(nc3c12)-c1ccco1
Show InChI InChI=1S/C14H15N7OS/c1-3-7-23-13-9-11(18-20(13)2)17-14(15)21-12(9)16-10(19-21)8-5-4-6-22-8/h4-6H,3,7H2,1-2H3,(H2,15,17,18)
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2.10n/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


Bioorg Med Chem 17: 5259-74 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.05.038
BindingDB Entry DOI: 10.7270/Q23N23FX
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50125929
PNG
(2-(furan-2-yl)-8-methyl-9-(propylthio)-8H-pyrazolo...)
Show SMILES CCCSc1n(C)nc2nc(N)n3nc(nc3c12)-c1ccco1
Show InChI InChI=1S/C14H15N7OS/c1-3-7-23-13-9-11(18-20(13)2)17-14(15)21-12(9)16-10(19-21)8-5-4-6-22-8/h4-6H,3,7H2,1-2H3,(H2,15,17,18)
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2.10n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in CHO cells


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))
BDBM50094701
PNG
(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]t...)
Show SMILES Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C11H9N7O/c1-17-5-6-8(15-17)14-11(12)18-10(6)13-9(16-18)7-3-2-4-19-7/h2-5H,1H3,(H2,12,14,15)
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2.80n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH- 58261 from human adenosine A2A receptor expressed in CHO cells; range 2.40-3.55


J Med Chem 43: 4768-80 (2000)


Article DOI: 10.1021/jm001047y
BindingDB Entry DOI: 10.7270/Q2D21WWT
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50094701
PNG
(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]t...)
Show SMILES Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C11H9N7O/c1-17-5-6-8(15-17)14-11(12)18-10(6)13-9(16-18)7-3-2-4-19-7/h2-5H,1H3,(H2,12,14,15)
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2.80n/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


Bioorg Med Chem 17: 5259-74 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.05.038
BindingDB Entry DOI: 10.7270/Q23N23FX
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50094701
PNG
(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]t...)
Show SMILES Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C11H9N7O/c1-17-5-6-8(15-17)14-11(12)18-10(6)13-9(16-18)7-3-2-4-19-7/h2-5H,1H3,(H2,12,14,15)
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2.80n/an/an/an/an/an/an/an/a



Universit£ di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH58261 from human A2A receptor expressed in CHO cells by scintillation counter


Eur J Med Chem 108: 529-41 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.019
BindingDB Entry DOI: 10.7270/Q22R3THM
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50125929
PNG
(2-(furan-2-yl)-8-methyl-9-(propylthio)-8H-pyrazolo...)
Show SMILES CCCSc1n(C)nc2nc(N)n3nc(nc3c12)-c1ccco1
Show InChI InChI=1S/C14H15N7OS/c1-3-7-23-13-9-11(18-20(13)2)17-14(15)21-12(9)16-10(19-21)8-5-4-6-22-8/h4-6H,3,7H2,1-2H3,(H2,15,17,18)
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9n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- DPCPX binding at human Adenosine A1 receptor expressed in CHO cells


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))
BDBM50125926
PNG
(2-Furan-2-yl-9-methylsulfanyl-8-(3-phenyl-propyl)-...)
Show SMILES CSc1n(CCCc2ccccc2)nc2nc(N)n3nc(nc3c12)-c1ccco1
Show InChI InChI=1S/C20H19N7OS/c1-29-19-15-17(24-26(19)11-5-9-13-7-3-2-4-8-13)23-20(21)27-18(15)22-16(25-27)14-10-6-12-28-14/h2-4,6-8,10,12H,5,9,11H2,1H3,(H2,21,23,24)
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22n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


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


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 A2b


(Homo sapiens (Human))
BDBM50125926
PNG
(2-Furan-2-yl-9-methylsulfanyl-8-(3-phenyl-propyl)-...)
Show SMILES CSc1n(CCCc2ccccc2)nc2nc(N)n3nc(nc3c12)-c1ccco1
Show InChI InChI=1S/C20H19N7OS/c1-29-19-15-17(24-26(19)11-5-9-13-7-3-2-4-8-13)23-20(21)27-18(15)22-16(25-27)14-10-6-12-28-14/h2-4,6-8,10,12H,5,9,11H2,1H3,(H2,21,23,24)
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31n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- DPCPX from human adenosine A2B receptor expressed in HEK293 cells


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 A2b


(Homo sapiens (Human))
BDBM50125929
PNG
(2-(furan-2-yl)-8-methyl-9-(propylthio)-8H-pyrazolo...)
Show SMILES CCCSc1n(C)nc2nc(N)n3nc(nc3c12)-c1ccco1
Show InChI InChI=1S/C14H15N7OS/c1-3-7-23-13-9-11(18-20(13)2)17-14(15)21-12(9)16-10(19-21)8-5-4-6-22-8/h4-6H,3,7H2,1-2H3,(H2,15,17,18)
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69n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- DPCPX from human adenosine A2B receptor expressed in HEK293 cells


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 A2b


(Homo sapiens (Human))
BDBM50094701
PNG
(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]t...)
Show SMILES Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C11H9N7O/c1-17-5-6-8(15-17)14-11(12)18-10(6)13-9(16-18)7-3-2-4-19-7/h2-5H,1H3,(H2,12,14,15)
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90n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from Adenosine A2b receptor expressed in CHO cells; range 81-101


J Med Chem 43: 4768-80 (2000)


Article DOI: 10.1021/jm001047y
BindingDB Entry DOI: 10.7270/Q2D21WWT
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50094701
PNG
(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]t...)
Show SMILES Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C11H9N7O/c1-17-5-6-8(15-17)14-11(12)18-10(6)13-9(16-18)7-3-2-4-19-7/h2-5H,1H3,(H2,12,14,15)
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90n/an/an/an/an/an/an/an/a



Universit£ di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B receptor expressed in CHO cells by scintillation counter


Eur J Med Chem 108: 529-41 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.019
BindingDB Entry DOI: 10.7270/Q22R3THM
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50094701
PNG
(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]t...)
Show SMILES Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C11H9N7O/c1-17-5-6-8(15-17)14-11(12)18-10(6)13-9(16-18)7-3-2-4-19-7/h2-5H,1H3,(H2,12,14,15)
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101n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells; range 81-127


J Med Chem 43: 4768-80 (2000)


Article DOI: 10.1021/jm001047y
BindingDB Entry DOI: 10.7270/Q2D21WWT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50094701
PNG
(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]t...)
Show SMILES Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C11H9N7O/c1-17-5-6-8(15-17)14-11(12)18-10(6)13-9(16-18)7-3-2-4-19-7/h2-5H,1H3,(H2,12,14,15)
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101n/an/an/an/an/an/an/an/a



Universit£ di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A1 receptor expressed in CHO cells by scintillation counter


Eur J Med Chem 108: 529-41 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.019
BindingDB Entry DOI: 10.7270/Q22R3THM
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50125926
PNG
(2-Furan-2-yl-9-methylsulfanyl-8-(3-phenyl-propyl)-...)
Show SMILES CSc1n(CCCc2ccccc2)nc2nc(N)n3nc(nc3c12)-c1ccco1
Show InChI InChI=1S/C20H19N7OS/c1-29-19-15-17(24-26(19)11-5-9-13-7-3-2-4-8-13)23-20(21)27-18(15)22-16(25-27)14-10-6-12-28-14/h2-4,6-8,10,12H,5,9,11H2,1H3,(H2,21,23,24)
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175n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- DPCPX binding at human Adenosine A1 receptor expressed in CHO cells


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 A3


(Homo sapiens (Human))
BDBM50125929
PNG
(2-(furan-2-yl)-8-methyl-9-(propylthio)-8H-pyrazolo...)
Show SMILES CCCSc1n(C)nc2nc(N)n3nc(nc3c12)-c1ccco1
Show InChI InChI=1S/C14H15N7OS/c1-3-7-23-13-9-11(18-20(13)2)17-14(15)21-12(9)16-10(19-21)8-5-4-6-22-8/h4-6H,3,7H2,1-2H3,(H2,15,17,18)
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224n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- MRE 308F20 binding from human Adenosine A3 receptor expressed in CHO cells


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 A3


(Homo sapiens (Human))
BDBM50125929
PNG
(2-(furan-2-yl)-8-methyl-9-(propylthio)-8H-pyrazolo...)
Show SMILES CCCSc1n(C)nc2nc(N)n3nc(nc3c12)-c1ccco1
Show InChI InChI=1S/C14H15N7OS/c1-3-7-23-13-9-11(18-20(13)2)17-14(15)21-12(9)16-10(19-21)8-5-4-6-22-8/h4-6H,3,7H2,1-2H3,(H2,15,17,18)
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224n/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


Bioorg Med Chem 17: 5259-74 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.05.038
BindingDB Entry DOI: 10.7270/Q23N23FX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50094701
PNG
(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]t...)
Show SMILES Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C11H9N7O/c1-17-5-6-8(15-17)14-11(12)18-10(6)13-9(16-18)7-3-2-4-19-7/h2-5H,1H3,(H2,12,14,15)
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300n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A3 receptor


Bioorg Med Chem Lett 21: 2898-905 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.073
BindingDB Entry DOI: 10.7270/Q2VH5P5Z
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50094701
PNG
(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]t...)
Show SMILES Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C11H9N7O/c1-17-5-6-8(15-17)14-11(12)18-10(6)13-9(16-18)7-3-2-4-19-7/h2-5H,1H3,(H2,12,14,15)
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300n/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


Bioorg Med Chem 17: 5259-74 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.05.038
BindingDB Entry DOI: 10.7270/Q23N23FX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50094701
PNG
(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]t...)
Show SMILES Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C11H9N7O/c1-17-5-6-8(15-17)14-11(12)18-10(6)13-9(16-18)7-3-2-4-19-7/h2-5H,1H3,(H2,12,14,15)
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300n/an/an/an/an/an/an/an/a



Universit£ di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE3008-F20 from human A3 receptor expressed in CHO cells by scintillation counter


Eur J Med Chem 108: 529-41 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.019
BindingDB Entry DOI: 10.7270/Q22R3THM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50094701
PNG
(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]t...)
Show SMILES Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C11H9N7O/c1-17-5-6-8(15-17)14-11(12)18-10(6)13-9(16-18)7-3-2-4-19-7/h2-5H,1H3,(H2,12,14,15)
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300n/an/an/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Binding affinity for human adenosine A3 receptor


J Med Chem 48: 152-62 (2005)


Article DOI: 10.1021/jm049662f
BindingDB Entry DOI: 10.7270/Q2183609
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50094701
PNG
(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]t...)
Show SMILES Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C11H9N7O/c1-17-5-6-8(15-17)14-11(12)18-10(6)13-9(16-18)7-3-2-4-19-7/h2-5H,1H3,(H2,12,14,15)
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300n/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 265-339


J Med Chem 43: 4768-80 (2000)


Article DOI: 10.1021/jm001047y
BindingDB Entry DOI: 10.7270/Q2D21WWT
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50094701
PNG
(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]t...)
Show SMILES Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C11H9N7O/c1-17-5-6-8(15-17)14-11(12)18-10(6)13-9(16-18)7-3-2-4-19-7/h2-5H,1H3,(H2,12,14,15)
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300n/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


J Med Chem 53: 3361-75 (2010)


Article DOI: 10.1021/jm100049f
BindingDB Entry DOI: 10.7270/Q2DR2VNJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50125917
PNG
(8-Methyl-2-[5-(4-methyl-piperazin-1-ylmethyl)-fura...)
Show SMILES CSc1n(C)nc2nc(N)n3nc(nc3c12)-c1ccc(CN2CCN(C)CC2)o1
Show InChI InChI=1S/C18H23N9OS/c1-24-6-8-26(9-7-24)10-11-4-5-12(28-11)14-20-16-13-15(21-18(19)27(16)23-14)22-25(2)17(13)29-3/h4-5H,6-10H2,1-3H3,(H2,19,21,22)
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- MRE 308F20 binding from human Adenosine A3 receptor expressed in CHO cells


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 A1


(Homo sapiens (Human))
BDBM50125917
PNG
(8-Methyl-2-[5-(4-methyl-piperazin-1-ylmethyl)-fura...)
Show SMILES CSc1n(C)nc2nc(N)n3nc(nc3c12)-c1ccc(CN2CCN(C)CC2)o1
Show InChI InChI=1S/C18H23N9OS/c1-24-6-8-26(9-7-24)10-11-4-5-12(28-11)14-20-16-13-15(21-18(19)27(16)23-14)22-25(2)17(13)29-3/h4-5H,6-10H2,1-3H3,(H2,19,21,22)
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- DPCPX binding at human Adenosine A1 receptor expressed in CHO cells


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))
BDBM50125917
PNG
(8-Methyl-2-[5-(4-methyl-piperazin-1-ylmethyl)-fura...)
Show SMILES CSc1n(C)nc2nc(N)n3nc(nc3c12)-c1ccc(CN2CCN(C)CC2)o1
Show InChI InChI=1S/C18H23N9OS/c1-24-6-8-26(9-7-24)10-11-4-5-12(28-11)14-20-16-13-15(21-18(19)27(16)23-14)22-25(2)17(13)29-3/h4-5H,6-10H2,1-3H3,(H2,19,21,22)
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


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


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 A2b


(Homo sapiens (Human))
BDBM50125917
PNG
(8-Methyl-2-[5-(4-methyl-piperazin-1-ylmethyl)-fura...)
Show SMILES CSc1n(C)nc2nc(N)n3nc(nc3c12)-c1ccc(CN2CCN(C)CC2)o1
Show InChI InChI=1S/C18H23N9OS/c1-24-6-8-26(9-7-24)10-11-4-5-12(28-11)14-20-16-13-15(21-18(19)27(16)23-14)22-25(2)17(13)29-3/h4-5H,6-10H2,1-3H3,(H2,19,21,22)
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- DPCPX from human adenosine A2B receptor expressed in HEK293 cells


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 A3


(Homo sapiens (Human))
BDBM50125926
PNG
(2-Furan-2-yl-9-methylsulfanyl-8-(3-phenyl-propyl)-...)
Show SMILES CSc1n(CCCc2ccccc2)nc2nc(N)n3nc(nc3c12)-c1ccco1
Show InChI InChI=1S/C20H19N7OS/c1-29-19-15-17(24-26(19)11-5-9-13-7-3-2-4-8-13)23-20(21)27-18(15)22-16(25-27)14-10-6-12-28-14/h2-4,6-8,10,12H,5,9,11H2,1H3,(H2,21,23,24)
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- MRE 308F20 binding from human Adenosine A3 receptor expressed in CHO cells


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 A3


(Homo sapiens (Human))
BDBM50094701
PNG
(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]t...)
Show SMILES Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C11H9N7O/c1-17-5-6-8(15-17)14-11(12)18-10(6)13-9(16-18)7-3-2-4-19-7/h2-5H,1H3,(H2,12,14,15)
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3.02E+5n/an/an/an/an/an/an/an/a



University Institute of Pharmaceutical Sciences and UGC Center of Advanced Study in Pharmaceutical Sciences (UGC-CAS)

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins


Bioorg Med Chem Lett 21: 818-23 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.094
BindingDB Entry DOI: 10.7270/Q2XP766Q
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50125929
PNG
(2-(furan-2-yl)-8-methyl-9-(propylthio)-8H-pyrazolo...)
Show SMILES CCCSc1n(C)nc2nc(N)n3nc(nc3c12)-c1ccco1
Show InChI InChI=1S/C14H15N7OS/c1-3-7-23-13-9-11(18-20(13)2)17-14(15)21-12(9)16-10(19-21)8-5-4-6-22-8/h4-6H,3,7H2,1-2H3,(H2,15,17,18)
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n/an/a 852n/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 Adenosine A3 receptor with 100 nM CI-IB-MECA


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))
BDBM50125929
PNG
(2-(furan-2-yl)-8-methyl-9-(propylthio)-8H-pyrazolo...)
Show SMILES CCCSc1n(C)nc2nc(N)n3nc(nc3c12)-c1ccco1
Show InChI InChI=1S/C14H15N7OS/c1-3-7-23-13-9-11(18-20(13)2)17-14(15)21-12(9)16-10(19-21)8-5-4-6-22-8/h4-6H,3,7H2,1-2H3,(H2,15,17,18)
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n/an/a 14.8n/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