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35 similar compounds to monomer 50037429

Compile data set for download or QSAR
Wt: 365.2
BDBM110136
Wt: 375.2
BDBM110137
Wt: 375.2
BDBM110138
Wt: 344.7
BDBM110139
Wt: 344.7
BDBM110140
Wt: 379.2
BDBM110141
Wt: 358.8
BDBM110145
Wt: 372.8
BDBM110151
Wt: 372.8
BDBM110152
Wt: 407.2
BDBM110153
Wt: 421.3
BDBM50006704
Wt: 386.8
BDBM50006707
Wt: 282.2
BDBM50041598
Wt: 296.3
BDBM50041576
Wt: 353.3
BDBM50047183
Displayed 1 to 15 (of 35 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 32 hits for monomerid = 110136,110137,110138,110139,110140,110141,110145,110151,110152,110153,50006704,50006707,50041598,50041576,50047183   
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 Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM110145
PNG
((E)-8-(3-Chlorostyryl)-1,3-diethyl-7-methylxanthin...)
Show SMILES CCn1c2nc(\C=C\c3cccc(Cl)c3)n(C)c2c(=O)n(CC)c1=O
Show InChI InChI=1S/C18H19ClN4O2/c1-4-22-16-15(17(24)23(5-2)18(22)25)21(3)14(20-16)10-9-12-7-6-8-13(19)11-12/h6-11H,4-5H2,1-3H3/b10-9+
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24.3n/an/an/an/an/an/an/an/a



North-West University, Private Bag X6001, Potchefstroom 2520, South Africa





Bioorg Chem 49: 49-58 (2013)


Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q21V5CM2
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM110137
PNG
((E)-8-(3-Bromostyryl)-1,3,7-trimethylxanthine (4c))
Show SMILES Cn1c(\C=C\c2cccc(Br)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H15BrN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b8-7+
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28.4n/an/an/an/an/an/an/an/a



North-West University, Private Bag X6001, Potchefstroom 2520, South Africa





Bioorg Chem 49: 49-58 (2013)


Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q21V5CM2
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM110141
PNG
((E)-8-(3,4-Dichlorostyryl)-1,3-dimethyl-7-ethylxan...)
Show SMILES CCn1c(\C=C\c2ccc(Cl)c(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H16Cl2N4O2/c1-4-23-13(8-6-10-5-7-11(18)12(19)9-10)20-15-14(23)16(24)22(3)17(25)21(15)2/h5-9H,4H2,1-3H3/b8-6+
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32.9n/an/an/an/an/an/an/an/a



North-West University, Private Bag X6001, Potchefstroom 2520, South Africa





Bioorg Chem 49: 49-58 (2013)


Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q21V5CM2
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus (rat))
BDBM50006707
PNG
(8-[(E)-2-(4-Chloro-phenyl)-vinyl]-7-methyl-1,3-dip...)
Show SMILES CCCn1c2nc(\C=C\c3ccc(Cl)cc3)n(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C20H23ClN4O2/c1-4-12-24-18-17(19(26)25(13-5-2)20(24)27)23(3)16(22-18)11-8-14-6-9-15(21)10-7-14/h6-11H,4-5,12-13H2,1-3H3/b11-8+
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35n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-CHA from Adenosine A1 receptor of rat forebrain membranes


Bioorg Med Chem Lett 7: 2349-2352 (1997)


Article DOI: 10.1016/S0960-894X(97)00440-X
BindingDB Entry DOI: 10.7270/Q2PV6KB7
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50047183
PNG
(CHEMBL25859 | N-{3-[2-(1,3,7-Trimethyl-2,6-dioxo-2...)
Show SMILES CC(=O)Nc1cccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
Show InChI InChI=1S/C18H19N5O3/c1-11(24)19-13-7-5-6-12(10-13)8-9-14-20-16-15(21(14)2)17(25)23(4)18(26)22(16)3/h5-10H,1-4H3,(H,19,24)/b9-8+
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39n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand


J Med Chem 36: 1333-42 (1993)


Article DOI: 10.1021/jm00062a005
BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM110136
PNG
((E)-8-(3,4-Dichlorostyryl)caffeine (4b))
Show SMILES Cn1c(\C=C\c2ccc(Cl)c(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H14Cl2N4O2/c1-20-12(7-5-9-4-6-10(17)11(18)8-9)19-14-13(20)15(23)22(3)16(24)21(14)2/h4-8H,1-3H3/b7-5+
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44.8n/an/an/an/an/an/an/an/a



North-West University, Private Bag X6001, Potchefstroom 2520, South Africa





Bioorg Chem 49: 49-58 (2013)


Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q21V5CM2
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50006707
PNG
(8-[(E)-2-(4-Chloro-phenyl)-vinyl]-7-methyl-1,3-dip...)
Show SMILES CCCn1c2nc(\C=C\c3ccc(Cl)cc3)n(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C20H23ClN4O2/c1-4-12-24-18-17(19(26)25(13-5-2)20(24)27)23(3)16(22-18)11-8-14-6-9-15(21)10-7-14/h6-11H,4-5,12-13H2,1-3H3/b11-8+
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49n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor from rat striatal membranes, using N-[3H]-ethyladenosin-5''-uronamide as radioligand (in the presence ...


J Med Chem 35: 2342-5 (1992)


Article DOI: 10.1021/jm00090a027
BindingDB Entry DOI: 10.7270/Q2T43S20
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50006707
PNG
(8-[(E)-2-(4-Chloro-phenyl)-vinyl]-7-methyl-1,3-dip...)
Show SMILES CCCn1c2nc(\C=C\c3ccc(Cl)cc3)n(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C20H23ClN4O2/c1-4-12-24-18-17(19(26)25(13-5-2)20(24)27)23(3)16(22-18)11-8-14-6-9-15(21)10-7-14/h6-11H,4-5,12-13H2,1-3H3/b11-8+
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49n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity against Adenosine A2a receptor in rat forebrain membranes by [3H]-NECA (+CPA) displacement.


Bioorg Med Chem Lett 7: 2349-2352 (1997)


Article DOI: 10.1016/S0960-894X(97)00440-X
BindingDB Entry DOI: 10.7270/Q2PV6KB7
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50041576
PNG
(1,3,7-Trimethyl-8-((E)-styryl)-3,7-dihydro-purine-...)
Show SMILES Cn1c(\C=C\c2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H16N4O2/c1-18-12(10-9-11-7-5-4-6-8-11)17-14-13(18)15(21)20(3)16(22)19(14)2/h4-10H,1-3H3/b10-9+
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94n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand


J Med Chem 36: 1333-42 (1993)


Article DOI: 10.1021/jm00062a005
BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50041576
PNG
(1,3,7-Trimethyl-8-((E)-styryl)-3,7-dihydro-purine-...)
Show SMILES Cn1c(\C=C\c2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H16N4O2/c1-18-12(10-9-11-7-5-4-6-8-11)17-14-13(18)15(21)20(3)16(22)19(14)2/h4-10H,1-3H3/b10-9+
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94n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity to the adenosine A2A receptor by displacement of [3H]CGS-21680 in rat brain striatal membrane


J Med Chem 45: 3440-50 (2002)


Article DOI: 10.1021/jm011093d
BindingDB Entry DOI: 10.7270/Q2PC333B
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50041576
PNG
(1,3,7-Trimethyl-8-((E)-styryl)-3,7-dihydro-purine-...)
Show SMILES Cn1c(\C=C\c2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H16N4O2/c1-18-12(10-9-11-7-5-4-6-8-11)17-14-13(18)15(21)20(3)16(22)19(14)2/h4-10H,1-3H3/b10-9+
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94n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.


J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM110140
PNG
((E)-8-(4-Chlorostyryl)-1,3-dimethyl-7-ethylxanthin...)
Show SMILES CCn1c(\C=C\c2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H17ClN4O2/c1-4-22-13(10-7-11-5-8-12(18)9-6-11)19-15-14(22)16(23)21(3)17(24)20(15)2/h5-10H,4H2,1-3H3/b10-7+
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95.3n/an/an/an/an/an/an/an/a



North-West University, Private Bag X6001, Potchefstroom 2520, South Africa





Bioorg Chem 49: 49-58 (2013)


Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q21V5CM2
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM110138
PNG
((E)-8-(4-Bromostyryl)-1,3,7-trimethylxanthine (4d))
Show SMILES Cn1c(\C=C\c2ccc(Br)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H15BrN4O2/c1-19-12(9-6-10-4-7-11(17)8-5-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b9-6+
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127n/an/an/an/an/an/an/an/a



North-West University, Private Bag X6001, Potchefstroom 2520, South Africa





Bioorg Chem 49: 49-58 (2013)


Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q21V5CM2
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50041598
PNG
(1,3-Dimethyl-8-((E)-styryl)-3,7-dihydro-purine-2,6...)
Show SMILES Cn1c2nc(C=Cc3ccccc3)[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C15H14N4O2/c1-18-13-12(14(20)19(2)15(18)21)16-11(17-13)9-8-10-6-4-3-5-7-10/h3-9H,1-2H3,(H,16,17)/b9-8+
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290n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity to the adenosine A2A receptor by displacement of [3H]CGS-21680 in rat brain striatal membrane


J Med Chem 45: 3440-50 (2002)


Article DOI: 10.1021/jm011093d
BindingDB Entry DOI: 10.7270/Q2PC333B
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50041598
PNG
(1,3-Dimethyl-8-((E)-styryl)-3,7-dihydro-purine-2,6...)
Show SMILES Cn1c2nc(C=Cc3ccccc3)[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C15H14N4O2/c1-18-13-12(14(20)19(2)15(18)21)16-11(17-13)9-8-10-6-4-3-5-7-10/h3-9H,1-2H3,(H,16,17)/b9-8+
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291n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand


J Med Chem 36: 1333-42 (1993)


Article DOI: 10.1021/jm00062a005
BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM110139
PNG
((E)-8-(3-Chlorostyryl)-1,3-dimethyl-7-ethylxanthin...)
Show SMILES CCn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H17ClN4O2/c1-4-22-13(9-8-11-6-5-7-12(18)10-11)19-15-14(22)16(23)21(3)17(24)20(15)2/h5-10H,4H2,1-3H3/b9-8+
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421n/an/an/an/an/an/an/an/a



North-West University, Private Bag X6001, Potchefstroom 2520, South Africa





Bioorg Chem 49: 49-58 (2013)


Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q21V5CM2
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM110153
PNG
((E)-8-(3,4-Dichlorostyryl)-1,3,7-triethylxanthine ...)
Show SMILES CCn1c(\C=C\c2ccc(Cl)c(Cl)c2)nc2n(CC)c(=O)n(CC)c(=O)c12
Show InChI InChI=1S/C19H20Cl2N4O2/c1-4-23-15(10-8-12-7-9-13(20)14(21)11-12)22-17-16(23)18(26)25(6-3)19(27)24(17)5-2/h7-11H,4-6H2,1-3H3/b10-8+
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428n/an/an/an/an/an/an/an/a



North-West University, Private Bag X6001, Potchefstroom 2520, South Africa





Bioorg Chem 49: 49-58 (2013)


Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q21V5CM2
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50006707
PNG
(8-[(E)-2-(4-Chloro-phenyl)-vinyl]-7-methyl-1,3-dip...)
Show SMILES CCCn1c2nc(\C=C\c3ccc(Cl)cc3)n(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C20H23ClN4O2/c1-4-12-24-18-17(19(26)25(13-5-2)20(24)27)23(3)16(22-18)11-8-14-6-9-15(21)10-7-14/h6-11H,4-5,12-13H2,1-3H3/b11-8+
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470n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-CHA from Adenosine A1 receptor of rat forebrain membranes (shielded from light)


Bioorg Med Chem Lett 7: 2349-2352 (1997)


Article DOI: 10.1016/S0960-894X(97)00440-X
BindingDB Entry DOI: 10.7270/Q2PV6KB7
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50041598
PNG
(1,3-Dimethyl-8-((E)-styryl)-3,7-dihydro-purine-2,6...)
Show SMILES Cn1c2nc(C=Cc3ccccc3)[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C15H14N4O2/c1-18-13-12(14(20)19(2)15(18)21)16-11(17-13)9-8-10-6-4-3-5-7-10/h3-9H,1-2H3,(H,16,17)/b9-8+
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650n/an/an/an/an/an/an/an/a



Eberhard-Karls-Universität Tübingen

Curated by ChEMBL


Assay Description
Binding affinity to A1 adenosine receptor from rat cortical membrane in presence of [3H]-R-(phenylisopropyl)-adenosine


J Med Chem 37: 1526-34 (1994)


Article DOI: 10.1021/jm00036a019
BindingDB Entry DOI: 10.7270/Q28P5ZJN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50041598
PNG
(1,3-Dimethyl-8-((E)-styryl)-3,7-dihydro-purine-2,6...)
Show SMILES Cn1c2nc(C=Cc3ccccc3)[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C15H14N4O2/c1-18-13-12(14(20)19(2)15(18)21)16-11(17-13)9-8-10-6-4-3-5-7-10/h3-9H,1-2H3,(H,16,17)/b9-8+
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650n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor by displacing [3H]CHA radioligand in rat brain cortical membrane


J Med Chem 45: 3440-50 (2002)


Article DOI: 10.1021/jm011093d
BindingDB Entry DOI: 10.7270/Q2PC333B
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50041598
PNG
(1,3-Dimethyl-8-((E)-styryl)-3,7-dihydro-purine-2,6...)
Show SMILES Cn1c2nc(C=Cc3ccccc3)[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C15H14N4O2/c1-18-13-12(14(20)19(2)15(18)21)16-11(17-13)9-8-10-6-4-3-5-7-10/h3-9H,1-2H3,(H,16,17)/b9-8+
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654n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand


J Med Chem 36: 1333-42 (1993)


Article DOI: 10.1021/jm00062a005
BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM110151
PNG
((E)-8-(3-Chlorostyryl)-1,3,7-triethylxanthine (7a))
Show SMILES CCn1c(\C=C\c2cccc(Cl)c2)nc2n(CC)c(=O)n(CC)c(=O)c12
Show InChI InChI=1S/C19H21ClN4O2/c1-4-22-15(11-10-13-8-7-9-14(20)12-13)21-17-16(22)18(25)24(6-3)19(26)23(17)5-2/h7-12H,4-6H2,1-3H3/b11-10+
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>1.00E+3n/an/an/an/an/an/an/an/a



North-West University, Private Bag X6001, Potchefstroom 2520, South Africa





Bioorg Chem 49: 49-58 (2013)


Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q21V5CM2
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM110152
PNG
((E)-8-(4-Chlorostyryl)-1,3,7-triethylxanthine (7b))
Show SMILES CCn1c(\C=C\c2ccc(Cl)cc2)nc2n(CC)c(=O)n(CC)c(=O)c12
Show InChI InChI=1S/C19H21ClN4O2/c1-4-22-15(12-9-13-7-10-14(20)11-8-13)21-17-16(22)18(25)24(6-3)19(26)23(17)5-2/h7-12H,4-6H2,1-3H3/b12-9+
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>1.00E+3n/an/an/an/an/an/an/an/a



North-West University, Private Bag X6001, Potchefstroom 2520, South Africa





Bioorg Chem 49: 49-58 (2013)


Article DOI: 10.1016/j.bioorg.2013.06.006
BindingDB Entry DOI: 10.7270/Q21V5CM2
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50041576
PNG
(1,3,7-Trimethyl-8-((E)-styryl)-3,7-dihydro-purine-...)
Show SMILES Cn1c(\C=C\c2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H16N4O2/c1-18-12(10-9-11-7-5-4-6-8-11)17-14-13(18)15(21)20(3)16(22)19(14)2/h4-10H,1-3H3/b10-9+
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3.89E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand


J Med Chem 36: 1333-42 (1993)


Article DOI: 10.1021/jm00062a005
BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50041576
PNG
(1,3,7-Trimethyl-8-((E)-styryl)-3,7-dihydro-purine-...)
Show SMILES Cn1c(\C=C\c2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H16N4O2/c1-18-12(10-9-11-7-5-4-6-8-11)17-14-13(18)15(21)20(3)16(22)19(14)2/h4-10H,1-3H3/b10-9+
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3.89E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-R-PIA to Adenosine A1 receptor in rat brain cortical membranes


J Med Chem 40: 4396-405 (1998)


Article DOI: 10.1021/jm970515+
BindingDB Entry DOI: 10.7270/Q20K27P3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50041576
PNG
(1,3,7-Trimethyl-8-((E)-styryl)-3,7-dihydro-purine-...)
Show SMILES Cn1c(\C=C\c2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H16N4O2/c1-18-12(10-9-11-7-5-4-6-8-11)17-14-13(18)15(21)20(3)16(22)19(14)2/h4-10H,1-3H3/b10-9+
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3.90E+3n/an/an/an/an/an/an/an/a



Eberhard-Karls-Universität Tübingen

Curated by ChEMBL


Assay Description
Binding affinity to A1 adenosine receptor from rat cortical membrane in presence of [3H]-R-(phenylisopropyl)-adenosine


J Med Chem 37: 1526-34 (1994)


Article DOI: 10.1021/jm00036a019
BindingDB Entry DOI: 10.7270/Q28P5ZJN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50041576
PNG
(1,3,7-Trimethyl-8-((E)-styryl)-3,7-dihydro-purine-...)
Show SMILES Cn1c(\C=C\c2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H16N4O2/c1-18-12(10-9-11-7-5-4-6-8-11)17-14-13(18)15(21)20(3)16(22)19(14)2/h4-10H,1-3H3/b10-9+
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3.90E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor by displacing [3H]CHA radioligand in rat brain cortical membrane


J Med Chem 45: 3440-50 (2002)


Article DOI: 10.1021/jm011093d
BindingDB Entry DOI: 10.7270/Q2PC333B
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50006704
PNG
(8-[2-(3,4-Dichloro-phenyl)-vinyl]-7-methyl-1,3-dip...)
Show SMILES CCCn1c2nc(\C=C\c3ccc(Cl)c(Cl)c3)n(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C20H22Cl2N4O2/c1-4-10-25-18-17(19(27)26(11-5-2)20(25)28)24(3)16(23-18)9-7-13-6-8-14(21)15(22)12-13/h6-9,12H,4-5,10-11H2,1-3H3/b9-7+
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7.50E+3n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of N6-[3H]-cyclohexyladenosine binding to adenosine A1 receptor from rat cortical membranes


J Med Chem 35: 2342-5 (1992)


Article DOI: 10.1021/jm00090a027
BindingDB Entry DOI: 10.7270/Q2T43S20
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50047183
PNG
(CHEMBL25859 | N-{3-[2-(1,3,7-Trimethyl-2,6-dioxo-2...)
Show SMILES CC(=O)Nc1cccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
Show InChI InChI=1S/C18H19N5O3/c1-11(24)19-13-7-5-6-12(10-13)8-9-14-20-16-15(21(14)2)17(25)23(4)18(26)22(16)3/h5-10H,1-4H3,(H,19,24)/b9-8+
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9.47E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand


J Med Chem 36: 1333-42 (1993)


Article DOI: 10.1021/jm00062a005
BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50006707
PNG
(8-[(E)-2-(4-Chloro-phenyl)-vinyl]-7-methyl-1,3-dip...)
Show SMILES CCCn1c2nc(\C=C\c3ccc(Cl)cc3)n(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C20H23ClN4O2/c1-4-12-24-18-17(19(26)25(13-5-2)20(24)27)23(3)16(22-18)11-8-14-6-9-15(21)10-7-14/h6-11H,4-5,12-13H2,1-3H3/b11-8+
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-CHA from Adenosine A1 receptor of guinea pig forebrain membranes


Bioorg Med Chem Lett 7: 2349-2352 (1997)


Article DOI: 10.1016/S0960-894X(97)00440-X
BindingDB Entry DOI: 10.7270/Q2PV6KB7
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50006707
PNG
(8-[(E)-2-(4-Chloro-phenyl)-vinyl]-7-methyl-1,3-dip...)
Show SMILES CCCn1c2nc(\C=C\c3ccc(Cl)cc3)n(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C20H23ClN4O2/c1-4-12-24-18-17(19(26)25(13-5-2)20(24)27)23(3)16(22-18)11-8-14-6-9-15(21)10-7-14/h6-11H,4-5,12-13H2,1-3H3/b11-8+
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from guinea pig forebrain membranes, using N6-[3H]-cyclohexyladenosine as radioligand.


J Med Chem 35: 2342-5 (1992)


Article DOI: 10.1021/jm00090a027
BindingDB Entry DOI: 10.7270/Q2T43S20
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50006704
PNG
(8-[2-(3,4-Dichloro-phenyl)-vinyl]-7-methyl-1,3-dip...)
Show SMILES CCCn1c2nc(\C=C\c3ccc(Cl)c(Cl)c3)n(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C20H22Cl2N4O2/c1-4-10-25-18-17(19(27)26(11-5-2)20(25)28)24(3)16(23-18)9-7-13-6-8-14(21)15(22)12-13/h6-9,12H,4-5,10-11H2,1-3H3/b9-7+
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>1.00E+5n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from guinea pig forebrain membranes, using N6-[3H]-cyclohexyladenosine as radioligand.


J Med Chem 35: 2342-5 (1992)


Article DOI: 10.1021/jm00090a027
BindingDB Entry DOI: 10.7270/Q2T43S20
More data for this
Ligand-Target Pair