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12 similar compounds to monomer 110144

Compile data set for download or QSAR
Wt: 344.7
BDBM110139
Wt: 344.7
BDBM110140
Wt: 379.2
BDBM110141
Wt: 389.2
BDBM110142
Wt: 389.2
BDBM110143
Wt: 392.3
BDBM110150
Wt: 406.4
BDBM110156
Wt: 296.3
BDBM50041576
Wt: 350.2
BDBM50047180
Wt: 311.3
BDBM50047201
Wt: 364.3
BDBM50047157
Wt: 336.3
BDBM50264625

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 110139,110140,110141,110142,110143,110150,110156,50041576,50047180,50047201,50047157,50264625   
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))
BDBM110150
PNG
((E)-8-[3-(Trifluoromethyl)styryl]-1,3-diethyl-7- m...)
Show SMILES CCn1c2nc(\C=C\c3cccc(c3)C(F)(F)F)n(C)c2c(=O)n(CC)c1=O
Show InChI InChI=1S/C19H19F3N4O2/c1-4-25-16-15(17(27)26(5-2)18(25)28)24(3)14(23-16)10-9-12-7-6-8-13(11-12)19(20,21)22/h6-11H,4-5H2,1-3H3/b10-9+
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11.9n/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 Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50264625
PNG
((E,E)-1,3-Dimethyl-8-(4-phenylbutadien-1-yl)-7-eth...)
Show SMILES CCn1c(\C=C\C=C\c2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C19H20N4O2/c1-4-23-15(13-9-8-12-14-10-6-5-7-11-14)20-17-16(23)18(24)22(3)19(25)21(17)2/h5-13H,4H2,1-3H3/b12-8+,13-9+
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13.5n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from Sprague-Dawley rat adenosine A2A receptor by scintillation counting


Bioorg Med Chem 16: 8676-84 (2008)


Article DOI: 10.1016/j.bmc.2008.07.088
BindingDB Entry DOI: 10.7270/Q2Z0380R
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 A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50047201
PNG
(8-[2-(3-Amino-phenyl)-vinyl]-1,3,7-trimethyl-3,7-d...)
Show SMILES Cn1c(\C=C\c2cccc(N)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H17N5O2/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,17H2,1-3H3/b8-7+
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57n/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))
BDBM110142
PNG
((E)-8-(3-Bromostyryl)-1,3-dimethyl-7-ethylxanthine...)
Show SMILES CCn1c(\C=C\c2cccc(Br)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H17BrN4O2/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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58.2n/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))
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))
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 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))
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))
BDBM50047157
PNG
((E)-8-[3-(Trifluoromethyl)styryl]-1,3,7-trimethylx...)
Show SMILES Cn1c(\C=C\c2cccc(c2)C(F)(F)F)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H15F3N4O2/c1-22-12(8-7-10-5-4-6-11(9-10)17(18,19)20)21-14-13(22)15(25)24(3)16(26)23(14)2/h4-9H,1-3H3/b8-7+
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125n/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))
BDBM50047157
PNG
((E)-8-[3-(Trifluoromethyl)styryl]-1,3,7-trimethylx...)
Show SMILES Cn1c(\C=C\c2cccc(c2)C(F)(F)F)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H15F3N4O2/c1-22-12(8-7-10-5-4-6-11(9-10)17(18,19)20)21-14-13(22)15(25)24(3)16(26)23(14)2/h4-9H,1-3H3/b8-7+
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134n/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 A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50047180
PNG
(1,3-Dimethyl-8-[2-(3-trifluoromethyl-phenyl)-vinyl...)
Show SMILES Cn1c2nc(C=Cc3cccc(c3)C(F)(F)F)[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C16H13F3N4O2/c1-22-13-12(14(24)23(2)15(22)25)20-11(21-13)7-6-9-4-3-5-10(8-9)16(17,18)19/h3-8H,1-2H3,(H,20,21)/b7-6+
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343n/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))
BDBM110143
PNG
((E)-8-(4-Bromostyryl)-1,3-dimethyl-7-ethylxanthine...)
Show SMILES CCn1c(\C=C\c2ccc(Br)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H17BrN4O2/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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546n/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))
BDBM50047180
PNG
(1,3-Dimethyl-8-[2-(3-trifluoromethyl-phenyl)-vinyl...)
Show SMILES Cn1c2nc(C=Cc3cccc(c3)C(F)(F)F)[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C16H13F3N4O2/c1-22-13-12(14(24)23(2)15(22)25)20-11(21-13)7-6-9-4-3-5-10(8-9)16(17,18)19/h3-8H,1-2H3,(H,20,21)/b7-6+
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881n/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))
BDBM110156
PNG
((E)-8-[3-(Trifluoromethyl)styryl]-1,3,7-triethylxa...)
Show SMILES CCn1c(\C=C\c2cccc(c2)C(F)(F)F)nc2n(CC)c(=O)n(CC)c(=O)c12
Show InChI InChI=1S/C20H21F3N4O2/c1-4-25-15(11-10-13-8-7-9-14(12-13)20(21,22)23)24-17-16(25)18(28)27(6-3)19(29)26(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 receptor A1


(Rattus norvegicus (rat))
BDBM50047201
PNG
(8-[2-(3-Amino-phenyl)-vinyl]-1,3,7-trimethyl-3,7-d...)
Show SMILES Cn1c(\C=C\c2cccc(N)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H17N5O2/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,17H2,1-3H3/b8-7+
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1.69E+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))
BDBM50047157
PNG
((E)-8-[3-(Trifluoromethyl)styryl]-1,3,7-trimethylx...)
Show SMILES Cn1c(\C=C\c2cccc(c2)C(F)(F)F)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H15F3N4O2/c1-22-12(8-7-10-5-4-6-11(9-10)17(18,19)20)21-14-13(22)15(25)24(3)16(26)23(14)2/h4-9H,1-3H3/b8-7+
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3.33E+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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3.89E+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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UniProtKB/SwissProt

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UniChem

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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+
PDB

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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