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7 similar compounds to monomer 50176055

Compile data set for download or QSAR
Wt: 272.3
BDBM50176058
Purchase
Wt: 320.3
BDBM50176059
Wt: 258.2
BDBM50176061
Wt: 230.2
BDBM50176063
Wt: 258.2
BDBM50176051
Wt: 288.3
BDBM50011300
Wt: 286.2
BDBM50011301

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 50176058,50176059,50176061,50176063,50176051,50011300,50011301   
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))
BDBM50176059
PNG
(9-Methyl-2-phenethyl-8-[1,2,3]triazol-2-yl-9H-puri...)
Show SMILES Cn1c(nc2c(N)nc(CCc3ccccc3)nc12)-n1nccn1
Show InChI InChI=1S/C16H16N8/c1-23-15-13(22-16(23)24-18-9-10-19-24)14(17)20-12(21-15)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H2,17,20,21)
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4.70n/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


J Med Chem 48: 6887-96 (2005)


Article DOI: 10.1021/jm058018d
BindingDB Entry DOI: 10.7270/Q28C9X1X
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50176058
PNG
(2-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-...)
Show SMILES CCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
Show InChI InChI=1S/C12H16N8/c1-3-4-5-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-6-7-15-20/h6-7H,3-5H2,1-2H3,(H2,13,16,17)
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6.60n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant adenosine receptor A2a


J Med Chem 57: 3623-50 (2014)


Article DOI: 10.1021/jm4011669
BindingDB Entry DOI: 10.7270/Q28P621J
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50176058
PNG
(2-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-...)
Show SMILES CCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
Show InChI InChI=1S/C12H16N8/c1-3-4-5-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-6-7-15-20/h6-7H,3-5H2,1-2H3,(H2,13,16,17)
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6.60n/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


J Med Chem 48: 6887-96 (2005)


Article DOI: 10.1021/jm058018d
BindingDB Entry DOI: 10.7270/Q28C9X1X
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50176058
PNG
(2-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-...)
Show SMILES CCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
Show InChI InChI=1S/C12H16N8/c1-3-4-5-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-6-7-15-20/h6-7H,3-5H2,1-2H3,(H2,13,16,17)
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6.60n/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))
BDBM50011300
PNG
(CHEMBL2398482 | US9133197, 2)
Show SMILES CC(O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
Show InChI InChI=1S/C12H16N8O/c1-7(21)3-4-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-5-6-15-20/h5-7,21H,3-4H2,1-2H3,(H2,13,16,17)
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8n/an/an/an/an/an/a7.4n/a



SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A.

US Patent


Assay Description
The protein concentration of membrane suspension was determined using the Bradford method (Pierce, Rockford, Ill., USA) with bovine albumin as standa...


US Patent US9133197 (2015)


BindingDB Entry DOI: 10.7270/Q2542MB7
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50011300
PNG
(CHEMBL2398482 | US9133197, 2)
Show SMILES CC(O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
Show InChI InChI=1S/C12H16N8O/c1-7(21)3-4-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-5-6-15-20/h5-7,21H,3-4H2,1-2H3,(H2,13,16,17)
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8n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant adenosine receptor A2a


J Med Chem 57: 3623-50 (2014)


Article DOI: 10.1021/jm4011669
BindingDB Entry DOI: 10.7270/Q28P621J
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50176063
PNG
(2,9-Dimethyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylam...)
Show SMILES Cc1nc(N)c2nc(-n3nccn3)n(C)c2n1
Show InChI InChI=1S/C9H10N8/c1-5-13-7(10)6-8(14-5)16(2)9(15-6)17-11-3-4-12-17/h3-4H,1-2H3,(H2,10,13,14)
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10n/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 A1 receptor expressed in CHO cells using 1 nM [3H]DPCPX


J Med Chem 48: 6887-96 (2005)


Article DOI: 10.1021/jm058018d
BindingDB Entry DOI: 10.7270/Q28C9X1X
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50011301
PNG
(CHEMBL2398486 | US9133197, 7)
Show SMILES CC(=O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
Show InChI InChI=1S/C12H14N8O/c1-7(21)3-4-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-5-6-15-20/h5-6H,3-4H2,1-2H3,(H2,13,16,17)
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12n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant adenosine receptor A2a


J Med Chem 57: 3623-50 (2014)


Article DOI: 10.1021/jm4011669
BindingDB Entry DOI: 10.7270/Q28P621J
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50011301
PNG
(CHEMBL2398486 | US9133197, 7)
Show SMILES CC(=O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
Show InChI InChI=1S/C12H14N8O/c1-7(21)3-4-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-5-6-15-20/h5-6H,3-4H2,1-2H3,(H2,13,16,17)
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US Patent
12n/an/an/an/an/an/a7.4n/a



SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A.

US Patent


Assay Description
The protein concentration of membrane suspension was determined using the Bradford method (Pierce, Rockford, Ill., USA) with bovine albumin as standa...


US Patent US9133197 (2015)


BindingDB Entry DOI: 10.7270/Q2542MB7
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50176051
PNG
(9-Methyl-2-propyl-8-[1,2,3]triazol-2-yl-9H-purin-6...)
Show SMILES CCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
Show InChI InChI=1S/C11H14N8/c1-3-4-7-15-9(12)8-10(16-7)18(2)11(17-8)19-13-5-6-14-19/h5-6H,3-4H2,1-2H3,(H2,12,15,16)
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18n/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 A2b receptor expressed in HEK293 cells using 5 nM [3H]DPCPX


J Med Chem 48: 6887-96 (2005)


Article DOI: 10.1021/jm058018d
BindingDB Entry DOI: 10.7270/Q28C9X1X
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50011300
PNG
(CHEMBL2398482 | US9133197, 2)
Show SMILES CC(O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
Show InChI InChI=1S/C12H16N8O/c1-7(21)3-4-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-5-6-15-20/h5-7,21H,3-4H2,1-2H3,(H2,13,16,17)
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24n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant adenosine A1 receptor


J Med Chem 57: 3623-50 (2014)


Article DOI: 10.1021/jm4011669
BindingDB Entry DOI: 10.7270/Q28P621J
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50011300
PNG
(CHEMBL2398482 | US9133197, 2)
Show SMILES CC(O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
Show InChI InChI=1S/C12H16N8O/c1-7(21)3-4-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-5-6-15-20/h5-7,21H,3-4H2,1-2H3,(H2,13,16,17)
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US Patent
27 -10.3n/an/an/an/an/a7.425



SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A.

US Patent


Assay Description
Competition binding experiments have been performed incubating membranes from CHO-K1 cells stably transfected with the human adenosine A1 receptor (c...


US Patent US9133197 (2015)


BindingDB Entry DOI: 10.7270/Q2542MB7
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50176063
PNG
(2,9-Dimethyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylam...)
Show SMILES Cc1nc(N)c2nc(-n3nccn3)n(C)c2n1
Show InChI InChI=1S/C9H10N8/c1-5-13-7(10)6-8(14-5)16(2)9(15-6)17-11-3-4-12-17/h3-4H,1-2H3,(H2,10,13,14)
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70n/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


J Med Chem 48: 6887-96 (2005)


Article DOI: 10.1021/jm058018d
BindingDB Entry DOI: 10.7270/Q28C9X1X
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50176058
PNG
(2-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-...)
Show SMILES CCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
Show InChI InChI=1S/C12H16N8/c1-3-4-5-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-6-7-15-20/h6-7H,3-5H2,1-2H3,(H2,13,16,17)
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72n/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 A1 receptor expressed in CHO cells using 1 nM [3H]DPCPX


J Med Chem 48: 6887-96 (2005)


Article DOI: 10.1021/jm058018d
BindingDB Entry DOI: 10.7270/Q28C9X1X
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50176058
PNG
(2-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-...)
Show SMILES CCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
Show InChI InChI=1S/C12H16N8/c1-3-4-5-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-6-7-15-20/h6-7H,3-5H2,1-2H3,(H2,13,16,17)
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79n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant adenosine A1 receptor


J Med Chem 57: 3623-50 (2014)


Article DOI: 10.1021/jm4011669
BindingDB Entry DOI: 10.7270/Q28P621J
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50176059
PNG
(9-Methyl-2-phenethyl-8-[1,2,3]triazol-2-yl-9H-puri...)
Show SMILES Cn1c(nc2c(N)nc(CCc3ccccc3)nc12)-n1nccn1
Show InChI InChI=1S/C16H16N8/c1-23-15-13(22-16(23)24-18-9-10-19-24)14(17)20-12(21-15)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H2,17,20,21)
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80n/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 A1 receptor expressed in CHO cells using 1 nM [3H]DPCPX


J Med Chem 48: 6887-96 (2005)


Article DOI: 10.1021/jm058018d
BindingDB Entry DOI: 10.7270/Q28C9X1X
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50176051
PNG
(9-Methyl-2-propyl-8-[1,2,3]triazol-2-yl-9H-purin-6...)
Show SMILES CCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
Show InChI InChI=1S/C11H14N8/c1-3-4-7-15-9(12)8-10(16-7)18(2)11(17-8)19-13-5-6-14-19/h5-6H,3-4H2,1-2H3,(H2,12,15,16)
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84n/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


J Med Chem 48: 6887-96 (2005)


Article DOI: 10.1021/jm058018d
BindingDB Entry DOI: 10.7270/Q28C9X1X
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50011301
PNG
(CHEMBL2398486 | US9133197, 7)
Show SMILES CC(=O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
Show InChI InChI=1S/C12H14N8O/c1-7(21)3-4-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-5-6-15-20/h5-6H,3-4H2,1-2H3,(H2,13,16,17)
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192n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant adenosine A1 receptor


J Med Chem 57: 3623-50 (2014)


Article DOI: 10.1021/jm4011669
BindingDB Entry DOI: 10.7270/Q28P621J
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50011301
PNG
(CHEMBL2398486 | US9133197, 7)
Show SMILES CC(=O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
Show InChI InChI=1S/C12H14N8O/c1-7(21)3-4-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-5-6-15-20/h5-6H,3-4H2,1-2H3,(H2,13,16,17)
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US Patent
197 -9.14n/an/an/an/an/a7.425



SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A.

US Patent


Assay Description
Competition binding experiments have been performed incubating membranes from CHO-K1 cells stably transfected with the human adenosine A1 receptor (c...


US Patent US9133197 (2015)


BindingDB Entry DOI: 10.7270/Q2542MB7
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50176051
PNG
(9-Methyl-2-propyl-8-[1,2,3]triazol-2-yl-9H-purin-6...)
Show SMILES CCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
Show InChI InChI=1S/C11H14N8/c1-3-4-7-15-9(12)8-10(16-7)18(2)11(17-8)19-13-5-6-14-19/h5-6H,3-4H2,1-2H3,(H2,12,15,16)
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266n/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 A1 receptor expressed in CHO cells using 1 nM [3H]DPCPX


J Med Chem 48: 6887-96 (2005)


Article DOI: 10.1021/jm058018d
BindingDB Entry DOI: 10.7270/Q28C9X1X
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50176058
PNG
(2-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-...)
Show SMILES CCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
Show InChI InChI=1S/C12H16N8/c1-3-4-5-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-6-7-15-20/h6-7H,3-5H2,1-2H3,(H2,13,16,17)
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PubMed
352n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant adenosine receptor A2b


J Med Chem 57: 3623-50 (2014)


Article DOI: 10.1021/jm4011669
BindingDB Entry DOI: 10.7270/Q28P621J
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50176058
PNG
(2-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-...)
Show SMILES CCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
Show InChI InChI=1S/C12H16N8/c1-3-4-5-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-6-7-15-20/h6-7H,3-5H2,1-2H3,(H2,13,16,17)
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352n/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 A2b receptor expressed in HEK293 cells using 5 nM [3H]DPCPX


J Med Chem 48: 6887-96 (2005)


Article DOI: 10.1021/jm058018d
BindingDB Entry DOI: 10.7270/Q28C9X1X
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50176061
PNG
(2-Isopropyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-puri...)
Show SMILES CC(C)c1nc(N)c2nc(-n3nccn3)n(C)c2n1
Show InChI InChI=1S/C11H14N8/c1-6(2)9-16-8(12)7-10(17-9)18(3)11(15-7)19-13-4-5-14-19/h4-6H,1-3H3,(H2,12,16,17)
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MMDB

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481n/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


J Med Chem 48: 6887-96 (2005)


Article DOI: 10.1021/jm058018d
BindingDB Entry DOI: 10.7270/Q28C9X1X
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50176058
PNG
(2-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-...)
Show SMILES CCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
Show InChI InChI=1S/C12H16N8/c1-3-4-5-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-6-7-15-20/h6-7H,3-5H2,1-2H3,(H2,13,16,17)
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>1.00E+3n/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 A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA


J Med Chem 48: 6887-96 (2005)


Article DOI: 10.1021/jm058018d
BindingDB Entry DOI: 10.7270/Q28C9X1X
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50176061
PNG
(2-Isopropyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-puri...)
Show SMILES CC(C)c1nc(N)c2nc(-n3nccn3)n(C)c2n1
Show InChI InChI=1S/C11H14N8/c1-6(2)9-16-8(12)7-10(17-9)18(3)11(15-7)19-13-4-5-14-19/h4-6H,1-3H3,(H2,12,16,17)
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2.27E+3n/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 A1 receptor expressed in CHO cells using 1 nM [3H]DPCPX


J Med Chem 48: 6887-96 (2005)


Article DOI: 10.1021/jm058018d
BindingDB Entry DOI: 10.7270/Q28C9X1X
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50176059
PNG
(9-Methyl-2-phenethyl-8-[1,2,3]triazol-2-yl-9H-puri...)
Show SMILES Cn1c(nc2c(N)nc(CCc3ccccc3)nc12)-n1nccn1
Show InChI InChI=1S/C16H16N8/c1-23-15-13(22-16(23)24-18-9-10-19-24)14(17)20-12(21-15)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H2,17,20,21)
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2.33E+3n/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 A2b receptor expressed in HEK293 cells using 5 nM [3H]DPCPX


J Med Chem 48: 6887-96 (2005)


Article DOI: 10.1021/jm058018d
BindingDB Entry DOI: 10.7270/Q28C9X1X
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50176058
PNG
(2-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-...)
Show SMILES CCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
Show InChI InChI=1S/C12H16N8/c1-3-4-5-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-6-7-15-20/h6-7H,3-5H2,1-2H3,(H2,13,16,17)
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant adenosine A3 receptor


J Med Chem 57: 3623-50 (2014)


Article DOI: 10.1021/jm4011669
BindingDB Entry DOI: 10.7270/Q28P621J
More data for this
Ligand-Target Pair