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3 similar compounds to monomer 50125929

Compile data set for download or QSAR
Wt: 301.3
BDBM50125912
Wt: 413.5
BDBM50125917
Wt: 405.4
BDBM50125926

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50125912,50125917,50125926   
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))
BDBM50125912
PNG
(2-Furan-2-yl-8-methyl-9-methylsulfanyl-8H-pyrazolo...)
Show SMILES CSc1n(C)nc2nc(N)n3nc(nc3c12)-c1ccco1
Show InChI InChI=1S/C12H11N7OS/c1-18-11(21-2)7-9(16-18)15-12(13)19-10(7)14-8(17-19)6-4-3-5-20-6/h3-5H,1-2H3,(H2,13,15,16)
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PubMed
1.20n/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


J Med Chem 51: 4449-55 (2008)


Article DOI: 10.1021/jm701594y
BindingDB Entry DOI: 10.7270/Q2T72JBB
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50125912
PNG
(2-Furan-2-yl-8-methyl-9-methylsulfanyl-8H-pyrazolo...)
Show SMILES CSc1n(C)nc2nc(N)n3nc(nc3c12)-c1ccco1
Show InChI InChI=1S/C12H11N7OS/c1-18-11(21-2)7-9(16-18)15-12(13)19-10(7)14-8(17-19)6-4-3-5-20-6/h3-5H,1-2H3,(H2,13,15,16)
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1.20n/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 A1


(Homo sapiens (Human))
BDBM50125912
PNG
(2-Furan-2-yl-8-methyl-9-methylsulfanyl-8H-pyrazolo...)
Show SMILES CSc1n(C)nc2nc(N)n3nc(nc3c12)-c1ccco1
Show InChI InChI=1S/C12H11N7OS/c1-18-11(21-2)7-9(16-18)15-12(13)19-10(7)14-8(17-19)6-4-3-5-20-6/h3-5H,1-2H3,(H2,13,15,16)
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8.40n/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 A2b


(Homo sapiens (Human))
BDBM50125912
PNG
(2-Furan-2-yl-8-methyl-9-methylsulfanyl-8H-pyrazolo...)
Show SMILES CSc1n(C)nc2nc(N)n3nc(nc3c12)-c1ccco1
Show InChI InChI=1S/C12H11N7OS/c1-18-11(21-2)7-9(16-18)15-12(13)19-10(7)14-8(17-19)6-4-3-5-20-6/h3-5H,1-2H3,(H2,13,15,16)
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10.3n/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 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 A3


(Homo sapiens (Human))
BDBM50125912
PNG
(2-Furan-2-yl-8-methyl-9-methylsulfanyl-8H-pyrazolo...)
Show SMILES CSc1n(C)nc2nc(N)n3nc(nc3c12)-c1ccco1
Show InChI InChI=1S/C12H11N7OS/c1-18-11(21-2)7-9(16-18)15-12(13)19-10(7)14-8(17-19)6-4-3-5-20-6/h3-5H,1-2H3,(H2,13,15,16)
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35n/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))
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))
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))
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))
BDBM50125912
PNG
(2-Furan-2-yl-8-methyl-9-methylsulfanyl-8H-pyrazolo...)
Show SMILES CSc1n(C)nc2nc(N)n3nc(nc3c12)-c1ccco1
Show InChI InChI=1S/C12H11N7OS/c1-18-11(21-2)7-9(16-18)15-12(13)19-10(7)14-8(17-19)6-4-3-5-20-6/h3-5H,1-2H3,(H2,13,15,16)
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n/an/a 188n/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))
BDBM50125912
PNG
(2-Furan-2-yl-8-methyl-9-methylsulfanyl-8H-pyrazolo...)
Show SMILES CSc1n(C)nc2nc(N)n3nc(nc3c12)-c1ccco1
Show InChI InChI=1S/C12H11N7OS/c1-18-11(21-2)7-9(16-18)15-12(13)19-10(7)14-8(17-19)6-4-3-5-20-6/h3-5H,1-2H3,(H2,13,15,16)
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n/an/a 6.10n/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