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PubMed code 16759111

Compile data set for download or QSAR
Found 149 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A1


(Homo sapiens (human))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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0.900n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188578
PNG
(8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C18H15F3N6O2/c1-25-15-13(16(28)26(2)17(25)29)23-14(24-15)11-7-22-27(9-11)8-10-4-3-5-12(6-10)18(19,20)21/h3-7,9H,8H2,1-2H3,(H,23,24)
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1n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50086170
PNG
((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30)
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2n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188547
PNG
(8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-diethyl...)
Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1cnn(Cc2cccc(F)c2)c1
Show InChI InChI=1S/C19H19FN6O2/c1-3-25-17-15(18(27)26(4-2)19(25)28)22-16(23-17)13-9-21-24(11-13)10-12-6-5-7-14(20)8-12/h5-9,11H,3-4,10H2,1-2H3,(H,22,23)
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5n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50188559
PNG
(8-(1-(4-chlorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C21H23ClN6O2/c1-3-9-27-19-17(20(29)28(10-4-2)21(27)30)24-18(25-19)15-11-23-26(13-15)12-14-5-7-16(22)8-6-14/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,24,25)
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7n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188562
PNG
(1,3-Dipropyl-8-(1H-pyrazol-4-yl)-1H-purine-2,6(3H,...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cn[nH]c1
Show InChI InChI=1S/C14H18N6O2/c1-3-5-19-12-10(13(21)20(6-4-2)14(19)22)17-11(18-12)9-7-15-16-8-9/h7-8H,3-6H2,1-2H3,(H,15,16)(H,17,18)
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9n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50233081
PNG
(8-(1-benzyl-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purin...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C21H24N6O2/c1-3-10-26-19-17(20(28)27(11-4-2)21(26)29)23-18(24-19)16-12-22-25(14-16)13-15-8-6-5-7-9-15/h5-9,12,14H,3-4,10-11,13H2,1-2H3,(H,23,24)
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11n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188583
PNG
(8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)
Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C20H19F3N6O2/c1-3-28-17-15(18(30)29(4-2)19(28)31)25-16(26-17)13-9-24-27(11-13)10-12-6-5-7-14(8-12)20(21,22)23/h5-9,11H,3-4,10H2,1-2H3,(H,25,26)
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13n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50233076
PNG
(8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(F)c2)c1
Show InChI InChI=1S/C21H23FN6O2/c1-3-8-27-19-17(20(29)28(9-4-2)21(27)30)24-18(25-19)15-11-23-26(13-15)12-14-6-5-7-16(22)10-14/h5-7,10-11,13H,3-4,8-9,12H2,1-2H3,(H,24,25)
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14n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50233082
PNG
(8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C22H23F3N6O2/c1-3-8-30-19-17(20(32)31(9-4-2)21(30)33)27-18(28-19)15-11-26-29(13-15)12-14-6-5-7-16(10-14)22(23,24)25/h5-7,10-11,13H,3-4,8-9,12H2,1-2H3,(H,27,28)
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14n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50188544
PNG
(8-(1-phenethyl-1H-pyrazol-4-yl)-1,3-dipropyl-1H-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CCc2ccccc2)c1
Show InChI InChI=1S/C22H26N6O2/c1-3-11-27-20-18(21(29)28(12-4-2)22(27)30)24-19(25-20)17-14-23-26(15-17)13-10-16-8-6-5-7-9-16/h5-9,14-15H,3-4,10-13H2,1-2H3,(H,24,25)
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17n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188570
PNG
(8-(1-(3-chlorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(Cl)c2)c1
Show InChI InChI=1S/C21H23ClN6O2/c1-3-8-27-19-17(20(29)28(9-4-2)21(27)30)24-18(25-19)15-11-23-26(13-15)12-14-6-5-7-16(22)10-14/h5-7,10-11,13H,3-4,8-9,12H2,1-2H3,(H,24,25)
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18n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188559
PNG
(8-(1-(4-chlorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C21H23ClN6O2/c1-3-9-27-19-17(20(29)28(10-4-2)21(27)30)24-18(25-19)15-11-23-26(13-15)12-14-5-7-16(22)8-6-14/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,24,25)
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18n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50188558
PNG
(8-(1-(2-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2F)c1
Show InChI InChI=1S/C21H23FN6O2/c1-3-9-27-19-17(20(29)28(10-4-2)21(27)30)24-18(25-19)15-11-23-26(13-15)12-14-7-5-6-8-16(14)22/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,24,25)
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19n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188553
PNG
(8-(1-benzyl-1H-pyrazol-4-yl)-1,3-diethyl-1H-purine...)
Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C19H20N6O2/c1-3-24-17-15(18(26)25(4-2)19(24)27)21-16(22-17)14-10-20-23(12-14)11-13-8-6-5-7-9-13/h5-10,12H,3-4,11H2,1-2H3,(H,21,22)
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19n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188548
PNG
(8-(1-(4-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C22H23F3N6O2/c1-3-9-30-19-17(20(32)31(10-4-2)21(30)33)27-18(28-19)15-11-26-29(13-15)12-14-5-7-16(8-6-14)22(23,24)25/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,27,28)
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20n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50188562
PNG
(1,3-Dipropyl-8-(1H-pyrazol-4-yl)-1H-purine-2,6(3H,...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cn[nH]c1
Show InChI InChI=1S/C14H18N6O2/c1-3-5-19-12-10(13(21)20(6-4-2)14(19)22)17-11(18-12)9-7-15-16-8-9/h7-8H,3-6H2,1-2H3,(H,15,16)(H,17,18)
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20n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188552
PNG
(8-(1-(2-chlorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2Cl)c1
Show InChI InChI=1S/C21H23ClN6O2/c1-3-9-27-19-17(20(29)28(10-4-2)21(27)30)24-18(25-19)15-11-23-26(13-15)12-14-7-5-6-8-16(14)22/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,24,25)
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20n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188569
PNG
(8-(1-(2-chloro-5-(trifluoromethyl)benzyl)-1H-pyraz...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(ccc2Cl)C(F)(F)F)c1
Show InChI InChI=1S/C22H22ClF3N6O2/c1-3-7-31-19-17(20(33)32(8-4-2)21(31)34)28-18(29-19)14-10-27-30(12-14)11-13-9-15(22(24,25)26)5-6-16(13)23/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,28,29)
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22n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50188546
PNG
(8-(1-(2-methylbenzyl)-1H-pyrazol-4-yl)-1,3-dipropy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2C)c1
Show InChI InChI=1S/C22H26N6O2/c1-4-10-27-20-18(21(29)28(11-5-2)22(27)30)24-19(25-20)17-12-23-26(14-17)13-16-9-7-6-8-15(16)3/h6-9,12,14H,4-5,10-11,13H2,1-3H3,(H,24,25)
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22n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188579
PNG
(8-(1-(4-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(F)cc2)c1
Show InChI InChI=1S/C21H23FN6O2/c1-3-9-27-19-17(20(29)28(10-4-2)21(27)30)24-18(25-19)15-11-23-26(13-15)12-14-5-7-16(22)8-6-14/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,24,25)
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22n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50188579
PNG
(8-(1-(4-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(F)cc2)c1
Show InChI InChI=1S/C21H23FN6O2/c1-3-9-27-19-17(20(29)28(10-4-2)21(27)30)24-18(25-19)15-11-23-26(13-15)12-14-5-7-16(22)8-6-14/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,24,25)
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23n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50188562
PNG
(1,3-Dipropyl-8-(1H-pyrazol-4-yl)-1H-purine-2,6(3H,...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cn[nH]c1
Show InChI InChI=1S/C14H18N6O2/c1-3-5-19-12-10(13(21)20(6-4-2)14(19)22)17-11(18-12)9-7-15-16-8-9/h7-8H,3-6H2,1-2H3,(H,15,16)(H,17,18)
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23n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50236760
PNG
(8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-dimethy...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cnn(Cc2cccc(F)c2)c1
Show InChI InChI=1S/C17H15FN6O2/c1-22-15-13(16(25)23(2)17(22)26)20-14(21-15)11-7-19-24(9-11)8-10-4-3-5-12(18)6-10/h3-7,9H,8H2,1-2H3,(H,20,21)
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27n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188558
PNG
(8-(1-(2-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2F)c1
Show InChI InChI=1S/C21H23FN6O2/c1-3-9-27-19-17(20(29)28(10-4-2)21(27)30)24-18(25-19)15-11-23-26(13-15)12-14-7-5-6-8-16(14)22/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,24,25)
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28n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188551
PNG
(8-(1-(2,5-dichlorobenzyl)-1H-pyrazol-4-yl)-1,3-dip...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(Cl)ccc2Cl)c1
Show InChI InChI=1S/C21H22Cl2N6O2/c1-3-7-28-19-17(20(30)29(8-4-2)21(28)31)25-18(26-19)14-10-24-27(12-14)11-13-9-15(22)5-6-16(13)23/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,25,26)
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29n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50188570
PNG
(8-(1-(3-chlorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(Cl)c2)c1
Show InChI InChI=1S/C21H23ClN6O2/c1-3-8-27-19-17(20(29)28(9-4-2)21(27)30)24-18(25-19)15-11-23-26(13-15)12-14-6-5-7-16(22)10-14/h5-7,10-11,13H,3-4,8-9,12H2,1-2H3,(H,24,25)
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31n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188546
PNG
(8-(1-(2-methylbenzyl)-1H-pyrazol-4-yl)-1,3-dipropy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2C)c1
Show InChI InChI=1S/C22H26N6O2/c1-4-10-27-20-18(21(29)28(11-5-2)22(27)30)24-19(25-20)17-12-23-26(14-17)13-16-9-7-6-8-15(16)3/h6-9,12,14H,4-5,10-11,13H2,1-3H3,(H,24,25)
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33n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188543
PNG
(8-(1-(3-methoxybenzyl)-1H-pyrazol-4-yl)-1,3-diprop...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(OC)c2)c1
Show InChI InChI=1S/C22H26N6O3/c1-4-9-27-20-18(21(29)28(10-5-2)22(27)30)24-19(25-20)16-12-23-26(14-16)13-15-7-6-8-17(11-15)31-3/h6-8,11-12,14H,4-5,9-10,13H2,1-3H3,(H,24,25)
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34n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50188543
PNG
(8-(1-(3-methoxybenzyl)-1H-pyrazol-4-yl)-1,3-diprop...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(OC)c2)c1
Show InChI InChI=1S/C22H26N6O3/c1-4-9-27-20-18(21(29)28(10-5-2)22(27)30)24-19(25-20)16-12-23-26(14-16)13-15-7-6-8-17(11-15)31-3/h6-8,11-12,14H,4-5,9-10,13H2,1-3H3,(H,24,25)
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34n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188574
PNG
(8-(1-(3,4-difluorobenzyl)-1H-pyrazol-4-yl)-1,3-dip...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(F)c(F)c2)c1
Show InChI InChI=1S/C21H22F2N6O2/c1-3-7-28-19-17(20(30)29(8-4-2)21(28)31)25-18(26-19)14-10-24-27(12-14)11-13-5-6-15(22)16(23)9-13/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,25,26)
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35n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188575
PNG
(8-(1-(3-methylbenzyl)-1H-pyrazol-4-yl)-1,3-dipropy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(C)c2)c1
Show InChI InChI=1S/C22H26N6O2/c1-4-9-27-20-18(21(29)28(10-5-2)22(27)30)24-19(25-20)17-12-23-26(14-17)13-16-8-6-7-15(3)11-16/h6-8,11-12,14H,4-5,9-10,13H2,1-3H3,(H,24,25)
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36n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188585
PNG
(8-(1-(2-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2C(F)(F)F)c1
Show InChI InChI=1S/C22H23F3N6O2/c1-3-9-30-19-17(20(32)31(10-4-2)21(30)33)27-18(28-19)15-11-26-29(13-15)12-14-7-5-6-8-16(14)22(23,24)25/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,27,28)
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37n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188545
PNG
(8-(1-(2-methoxybenzyl)-1H-pyrazol-4-yl)-1,3-diprop...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2OC)c1
Show InChI InChI=1S/C22H26N6O3/c1-4-10-27-20-18(21(29)28(11-5-2)22(27)30)24-19(25-20)16-12-23-26(14-16)13-15-8-6-7-9-17(15)31-3/h6-9,12,14H,4-5,10-11,13H2,1-3H3,(H,24,25)
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37n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188576
PNG
(8-(1-(4-methoxybenzyl)-1H-pyrazol-4-yl)-1,3-diprop...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(OC)cc2)c1
Show InChI InChI=1S/C22H26N6O3/c1-4-10-27-20-18(21(29)28(11-5-2)22(27)30)24-19(25-20)16-12-23-26(14-16)13-15-6-8-17(31-3)9-7-15/h6-9,12,14H,4-5,10-11,13H2,1-3H3,(H,24,25)
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37n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50188573
PNG
(8-(1-(4-methylbenzyl)-1H-pyrazol-4-yl)-1,3-dipropy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(C)cc2)c1
Show InChI InChI=1S/C22H26N6O2/c1-4-10-27-20-18(21(29)28(11-5-2)22(27)30)24-19(25-20)17-12-23-26(14-17)13-16-8-6-15(3)7-9-16/h6-9,12,14H,4-5,10-11,13H2,1-3H3,(H,24,25)
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38n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50229886
PNG
(2-(3,4-Dimethoxy-phenyl)-N-[5-(2,6-dioxo-1,3-dipro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(OC)c(OC)c2)nn1C
Show InChI InChI=1S/C25H31N7O5/c1-6-10-31-23-21(24(34)32(11-7-2)25(31)35)27-22(28-23)16-14-19(29-30(16)3)26-20(33)13-15-8-9-17(36-4)18(12-15)37-5/h8-9,12,14H,6-7,10-11,13H2,1-5H3,(H,27,28)(H,26,29,33)
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38n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188573
PNG
(8-(1-(4-methylbenzyl)-1H-pyrazol-4-yl)-1,3-dipropy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(C)cc2)c1
Show InChI InChI=1S/C22H26N6O2/c1-4-10-27-20-18(21(29)28(11-5-2)22(27)30)24-19(25-20)17-12-23-26(14-17)13-16-8-6-15(3)7-9-16/h6-9,12,14H,4-5,10-11,13H2,1-3H3,(H,24,25)
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40n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50188548
PNG
(8-(1-(4-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C22H23F3N6O2/c1-3-9-30-19-17(20(32)31(10-4-2)21(30)33)27-18(28-19)15-11-26-29(13-15)12-14-5-7-16(8-6-14)22(23,24)25/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,27,28)
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41n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188565
PNG
(8-(1-(2-fluoro-3-methylbenzyl)-1H-pyrazol-4-yl)-1,...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(C)c2F)c1
Show InChI InChI=1S/C22H25FN6O2/c1-4-9-28-20-18(21(30)29(10-5-2)22(28)31)25-19(26-20)16-11-24-27(13-16)12-15-8-6-7-14(3)17(15)23/h6-8,11,13H,4-5,9-10,12H2,1-3H3,(H,25,26)
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44n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50188585
PNG
(8-(1-(2-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2C(F)(F)F)c1
Show InChI InChI=1S/C22H23F3N6O2/c1-3-9-30-19-17(20(32)31(10-4-2)21(30)33)27-18(28-19)15-11-26-29(13-15)12-14-7-5-6-8-16(14)22(23,24)25/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,27,28)
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44n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50188575
PNG
(8-(1-(3-methylbenzyl)-1H-pyrazol-4-yl)-1,3-dipropy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(C)c2)c1
Show InChI InChI=1S/C22H26N6O2/c1-4-9-27-20-18(21(29)28(10-5-2)22(27)30)24-19(25-20)17-12-23-26(14-17)13-16-8-6-7-15(3)11-16/h6-8,11-12,14H,4-5,9-10,13H2,1-3H3,(H,24,25)
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48n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50188552
PNG
(8-(1-(2-chlorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2Cl)c1
Show InChI InChI=1S/C21H23ClN6O2/c1-3-9-27-19-17(20(29)28(10-4-2)21(27)30)24-18(25-19)15-11-23-26(13-15)12-14-7-5-6-8-16(14)22/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,24,25)
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49n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2a receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50188546
PNG
(8-(1-(2-methylbenzyl)-1H-pyrazol-4-yl)-1,3-dipropy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2C)c1
Show InChI InChI=1S/C22H26N6O2/c1-4-10-27-20-18(21(29)28(11-5-2)22(27)30)24-19(25-20)17-12-23-26(14-17)13-16-9-7-6-8-15(16)3/h6-9,12,14H,4-5,10-11,13H2,1-3H3,(H,24,25)
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51n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2a receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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56n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50233076
PNG
(8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(F)c2)c1
Show InChI InChI=1S/C21H23FN6O2/c1-3-8-27-19-17(20(29)28(9-4-2)21(27)30)24-18(25-19)15-11-23-26(13-15)12-14-6-5-7-16(22)10-14/h5-7,10-11,13H,3-4,8-9,12H2,1-2H3,(H,24,25)
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56n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188542
PNG
(8-(1-(3-chloro-2-fluorobenzyl)-1H-pyrazol-4-yl)-1,...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(Cl)c2F)c1
Show InChI InChI=1S/C21H22ClFN6O2/c1-3-8-28-19-17(20(30)29(9-4-2)21(28)31)25-18(26-19)14-10-24-27(12-14)11-13-6-5-7-15(22)16(13)23/h5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,25,26)
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58n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50188552
PNG
(8-(1-(2-chlorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2Cl)c1
Show InChI InChI=1S/C21H23ClN6O2/c1-3-9-27-19-17(20(29)28(10-4-2)21(27)30)24-18(25-19)15-11-23-26(13-15)12-14-7-5-6-8-16(14)22/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,24,25)
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59n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50188545
PNG
(8-(1-(2-methoxybenzyl)-1H-pyrazol-4-yl)-1,3-diprop...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2OC)c1
Show InChI InChI=1S/C22H26N6O3/c1-4-10-27-20-18(21(29)28(11-5-2)22(27)30)24-19(25-20)16-12-23-26(14-16)13-15-8-6-7-9-17(15)31-3/h6-9,12,14H,4-5,10-11,13H2,1-3H3,(H,24,25)
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59n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50188558
PNG
(8-(1-(2-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2F)c1
Show InChI InChI=1S/C21H23FN6O2/c1-3-9-27-19-17(20(29)28(10-4-2)21(27)30)24-18(25-19)15-11-23-26(13-15)12-14-7-5-6-8-16(14)22/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,24,25)
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60n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2a receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50188576
PNG
(8-(1-(4-methoxybenzyl)-1H-pyrazol-4-yl)-1,3-diprop...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(OC)cc2)c1
Show InChI InChI=1S/C22H26N6O3/c1-4-10-27-20-18(21(29)28(11-5-2)22(27)30)24-19(25-20)16-12-23-26(14-16)13-15-6-8-17(31-3)9-7-15/h6-9,12,14H,4-5,10-11,13H2,1-3H3,(H,24,25)
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61n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2a receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50188575
PNG
(8-(1-(3-methylbenzyl)-1H-pyrazol-4-yl)-1,3-dipropy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(C)c2)c1
Show InChI InChI=1S/C22H26N6O2/c1-4-9-27-20-18(21(29)28(10-5-2)22(27)30)24-19(25-20)17-12-23-26(14-17)13-16-8-6-7-15(3)11-16/h6-8,11-12,14H,4-5,9-10,13H2,1-3H3,(H,24,25)
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66n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2a receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50188576
PNG
(8-(1-(4-methoxybenzyl)-1H-pyrazol-4-yl)-1,3-diprop...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(OC)cc2)c1
Show InChI InChI=1S/C22H26N6O3/c1-4-10-27-20-18(21(29)28(11-5-2)22(27)30)24-19(25-20)16-12-23-26(14-16)13-15-6-8-17(31-3)9-7-15/h6-9,12,14H,4-5,10-11,13H2,1-3H3,(H,24,25)
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70n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50188543
PNG
(8-(1-(3-methoxybenzyl)-1H-pyrazol-4-yl)-1,3-diprop...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(OC)c2)c1
Show InChI InChI=1S/C22H26N6O3/c1-4-9-27-20-18(21(29)28(10-5-2)22(27)30)24-19(25-20)16-12-23-26(14-16)13-15-7-6-8-17(11-15)31-3/h6-8,11-12,14H,4-5,9-10,13H2,1-3H3,(H,24,25)
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70n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2a receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50188551
PNG
(8-(1-(2,5-dichlorobenzyl)-1H-pyrazol-4-yl)-1,3-dip...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(Cl)ccc2Cl)c1
Show InChI InChI=1S/C21H22Cl2N6O2/c1-3-7-28-19-17(20(30)29(8-4-2)21(28)31)25-18(26-19)14-10-24-27(12-14)11-13-9-15(22)5-6-16(13)23/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,25,26)
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70n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2a receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188544
PNG
(8-(1-phenethyl-1H-pyrazol-4-yl)-1,3-dipropyl-1H-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CCc2ccccc2)c1
Show InChI InChI=1S/C22H26N6O2/c1-3-11-27-20-18(21(29)28(12-4-2)22(27)30)24-19(25-20)17-14-23-26(15-17)13-10-16-8-6-5-7-9-16/h5-9,14-15H,3-4,10-13H2,1-2H3,(H,24,25)
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74n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50233081
PNG
(8-(1-benzyl-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purin...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C21H24N6O2/c1-3-10-26-19-17(20(28)27(11-4-2)21(26)29)23-18(24-19)16-12-22-25(14-16)13-15-8-6-5-7-9-15/h5-9,12,14H,3-4,10-11,13H2,1-2H3,(H,23,24)
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76n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50188566
PNG
(8-(1-(3-phenylpropyl)-1H-pyrazol-4-yl)-1,3-dipropy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CCCc2ccccc2)c1
Show InChI InChI=1S/C23H28N6O2/c1-3-12-28-21-19(22(30)29(13-4-2)23(28)31)25-20(26-21)18-15-24-27(16-18)14-8-11-17-9-6-5-7-10-17/h5-7,9-10,15-16H,3-4,8,11-14H2,1-2H3,(H,25,26)
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77n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50188570
PNG
(8-(1-(3-chlorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(Cl)c2)c1
Show InChI InChI=1S/C21H23ClN6O2/c1-3-8-27-19-17(20(29)28(9-4-2)21(27)30)24-18(25-19)15-11-23-26(13-15)12-14-6-5-7-16(22)10-14/h5-7,10-11,13H,3-4,8-9,12H2,1-2H3,(H,24,25)
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79n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2a receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50188573
PNG
(8-(1-(4-methylbenzyl)-1H-pyrazol-4-yl)-1,3-dipropy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(C)cc2)c1
Show InChI InChI=1S/C22H26N6O2/c1-4-10-27-20-18(21(29)28(11-5-2)22(27)30)24-19(25-20)17-12-23-26(14-17)13-16-8-6-15(3)7-9-16/h6-9,12,14H,4-5,10-11,13H2,1-3H3,(H,24,25)
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80n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2a receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50188559
PNG
(8-(1-(4-chlorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C21H23ClN6O2/c1-3-9-27-19-17(20(29)28(10-4-2)21(27)30)24-18(25-19)15-11-23-26(13-15)12-14-5-7-16(22)8-6-14/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,24,25)
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88n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2a receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188566
PNG
(8-(1-(3-phenylpropyl)-1H-pyrazol-4-yl)-1,3-dipropy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CCCc2ccccc2)c1
Show InChI InChI=1S/C23H28N6O2/c1-3-12-28-21-19(22(30)29(13-4-2)23(28)31)25-20(26-21)18-15-24-27(16-18)14-8-11-17-9-6-5-7-10-17/h5-7,9-10,15-16H,3-4,8,11-14H2,1-2H3,(H,25,26)
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100n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50188553
PNG
(8-(1-benzyl-1H-pyrazol-4-yl)-1,3-diethyl-1H-purine...)
Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C19H20N6O2/c1-3-24-17-15(18(26)25(4-2)19(24)27)21-16(22-17)14-10-20-23(12-14)11-13-8-6-5-7-9-13/h5-10,12H,3-4,11H2,1-2H3,(H,21,22)
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120n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2a receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50188579
PNG
(8-(1-(4-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(F)cc2)c1
Show InChI InChI=1S/C21H23FN6O2/c1-3-9-27-19-17(20(29)28(10-4-2)21(27)30)24-18(25-19)15-11-23-26(13-15)12-14-5-7-16(22)8-6-14/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,24,25)
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120n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2a receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50188545
PNG
(8-(1-(2-methoxybenzyl)-1H-pyrazol-4-yl)-1,3-diprop...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2OC)c1
Show InChI InChI=1S/C22H26N6O3/c1-4-10-27-20-18(21(29)28(11-5-2)22(27)30)24-19(25-20)16-12-23-26(14-16)13-15-8-6-7-9-17(15)31-3/h6-9,12,14H,4-5,10-11,13H2,1-3H3,(H,24,25)
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140n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2a receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50233082
PNG
(8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C22H23F3N6O2/c1-3-8-30-19-17(20(32)31(9-4-2)21(30)33)27-18(28-19)15-11-26-29(13-15)12-14-6-5-7-16(10-14)22(23,24)25/h5-7,10-11,13H,3-4,8-9,12H2,1-2H3,(H,27,28)
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150n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50188548
PNG
(8-(1-(4-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C22H23F3N6O2/c1-3-9-30-19-17(20(32)31(10-4-2)21(30)33)27-18(28-19)15-11-26-29(13-15)12-14-5-7-16(8-6-14)22(23,24)25/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,27,28)
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150n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2a receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50233081
PNG
(8-(1-benzyl-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purin...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C21H24N6O2/c1-3-10-26-19-17(20(28)27(11-4-2)21(26)29)23-18(24-19)16-12-22-25(14-16)13-15-8-6-5-7-9-15/h5-9,12,14H,3-4,10-11,13H2,1-2H3,(H,23,24)
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170n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50233082
PNG
(8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C22H23F3N6O2/c1-3-8-30-19-17(20(32)31(9-4-2)21(30)33)27-18(28-19)15-11-26-29(13-15)12-14-6-5-7-16(10-14)22(23,24)25/h5-7,10-11,13H,3-4,8-9,12H2,1-2H3,(H,27,28)
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170n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50188574
PNG
(8-(1-(3,4-difluorobenzyl)-1H-pyrazol-4-yl)-1,3-dip...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(F)c(F)c2)c1
Show InChI InChI=1S/C21H22F2N6O2/c1-3-7-28-19-17(20(30)29(8-4-2)21(28)31)25-18(26-19)14-10-24-27(12-14)11-13-5-6-15(22)16(23)9-13/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,25,26)
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170n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50233076
PNG
(8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(F)c2)c1
Show InChI InChI=1S/C21H23FN6O2/c1-3-8-27-19-17(20(29)28(9-4-2)21(27)30)24-18(25-19)15-11-23-26(13-15)12-14-6-5-7-16(22)10-14/h5-7,10-11,13H,3-4,8-9,12H2,1-2H3,(H,24,25)
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170n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50188551
PNG
(8-(1-(2,5-dichlorobenzyl)-1H-pyrazol-4-yl)-1,3-dip...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(Cl)ccc2Cl)c1
Show InChI InChI=1S/C21H22Cl2N6O2/c1-3-7-28-19-17(20(30)29(8-4-2)21(28)31)25-18(26-19)14-10-24-27(12-14)11-13-9-15(22)5-6-16(13)23/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,25,26)
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190n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188563
PNG
(8-(1-(4-chloro-3-(trifluoromethyl)benzyl)-1H-pyraz...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(Cl)c(c2)C(F)(F)F)c1
Show InChI InChI=1S/C22H22ClF3N6O2/c1-3-7-31-19-17(20(33)32(8-4-2)21(31)34)28-18(29-19)14-10-27-30(12-14)11-13-5-6-16(23)15(9-13)22(24,25)26/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,28,29)
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200n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50236760
PNG
(8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-dimethy...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cnn(Cc2cccc(F)c2)c1
Show InChI InChI=1S/C17H15FN6O2/c1-22-15-13(16(25)23(2)17(22)26)20-14(21-15)11-7-19-24(9-11)8-10-4-3-5-12(18)6-10/h3-7,9H,8H2,1-2H3,(H,20,21)
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200n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2a receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50188566
PNG
(8-(1-(3-phenylpropyl)-1H-pyrazol-4-yl)-1,3-dipropy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CCCc2ccccc2)c1
Show InChI InChI=1S/C23H28N6O2/c1-3-12-28-21-19(22(30)29(13-4-2)23(28)31)25-20(26-21)18-15-24-27(16-18)14-8-11-17-9-6-5-7-10-17/h5-7,9-10,15-16H,3-4,8,11-14H2,1-2H3,(H,25,26)
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220n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2a receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50233076
PNG
(8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(F)c2)c1
Show InChI InChI=1S/C21H23FN6O2/c1-3-8-27-19-17(20(29)28(9-4-2)21(27)30)24-18(25-19)15-11-23-26(13-15)12-14-6-5-7-16(22)10-14/h5-7,10-11,13H,3-4,8-9,12H2,1-2H3,(H,24,25)
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230n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2a receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50188585
PNG
(8-(1-(2-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2C(F)(F)F)c1
Show InChI InChI=1S/C22H23F3N6O2/c1-3-9-30-19-17(20(32)31(10-4-2)21(30)33)27-18(28-19)15-11-26-29(13-15)12-14-7-5-6-8-16(14)22(23,24)25/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,27,28)
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230n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2a receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50188562
PNG
(1,3-Dipropyl-8-(1H-pyrazol-4-yl)-1H-purine-2,6(3H,...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cn[nH]c1
Show InChI InChI=1S/C14H18N6O2/c1-3-5-19-12-10(13(21)20(6-4-2)14(19)22)17-11(18-12)9-7-15-16-8-9/h7-8H,3-6H2,1-2H3,(H,15,16)(H,17,18)
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230n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2a receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188557
PNG
(8-(1-(2,3-difluorobenzyl)-1H-pyrazol-4-yl)-1,3-dip...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(F)c2F)c1
Show InChI InChI=1S/C21H22F2N6O2/c1-3-8-28-19-17(20(30)29(9-4-2)21(28)31)25-18(26-19)14-10-24-27(12-14)11-13-6-5-7-15(22)16(13)23/h5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,25,26)
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240n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50188574
PNG
(8-(1-(3,4-difluorobenzyl)-1H-pyrazol-4-yl)-1,3-dip...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(F)c(F)c2)c1
Show InChI InChI=1S/C21H22F2N6O2/c1-3-7-28-19-17(20(30)29(8-4-2)21(28)31)25-18(26-19)14-10-24-27(12-14)11-13-5-6-15(22)16(23)9-13/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,25,26)
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280n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2a receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50188547
PNG
(8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-diethyl...)
Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1cnn(Cc2cccc(F)c2)c1
Show InChI InChI=1S/C19H19FN6O2/c1-3-25-17-15(18(27)26(4-2)19(25)28)22-16(23-17)13-9-21-24(11-13)10-12-6-5-7-14(20)8-12/h5-9,11H,3-4,10H2,1-2H3,(H,22,23)
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290n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2a receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50233081
PNG
(8-(1-benzyl-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purin...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C21H24N6O2/c1-3-10-26-19-17(20(28)27(11-4-2)21(26)29)23-18(24-19)16-12-22-25(14-16)13-15-8-6-5-7-9-15/h5-9,12,14H,3-4,10-11,13H2,1-2H3,(H,23,24)
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290n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2a receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188555
PNG
(8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)
Show SMILES CC(C)Cn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C24H27F3N6O2/c1-14(2)10-32-21-19(22(34)33(23(32)35)11-15(3)4)29-20(30-21)17-9-28-31(13-17)12-16-6-5-7-18(8-16)24(25,26)27/h5-9,13-15H,10-12H2,1-4H3,(H,29,30)
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300n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188560
PNG
(8-(1-phenyl-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purin...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(c1)-c1ccccc1
Show InChI InChI=1S/C20H22N6O2/c1-3-10-24-18-16(19(27)25(11-4-2)20(24)28)22-17(23-18)14-12-21-26(13-14)15-8-6-5-7-9-15/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,22,23)
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310n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188589
PNG
(8-(1-(3,5-bis(trifluoromethyl)benzyl)-1H-pyrazol-4...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1S/C23H22F6N6O2/c1-3-5-34-19-17(20(36)35(6-4-2)21(34)37)31-18(32-19)14-10-30-33(12-14)11-13-7-15(22(24,25)26)9-16(8-13)23(27,28)29/h7-10,12H,3-6,11H2,1-2H3,(H,31,32)
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350n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188590
PNG
(8-(1-(3-chloro-2-fluoro-5-(trifluoromethyl)benzyl)...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(cc(Cl)c2F)C(F)(F)F)c1
Show InChI InChI=1S/C22H21ClF4N6O2/c1-3-5-32-19-17(20(34)33(6-4-2)21(32)35)29-18(30-19)13-9-28-31(11-13)10-12-7-14(22(25,26)27)8-15(23)16(12)24/h7-9,11H,3-6,10H2,1-2H3,(H,29,30)
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360n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50188547
PNG
(8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-diethyl...)
Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1cnn(Cc2cccc(F)c2)c1
Show InChI InChI=1S/C19H19FN6O2/c1-3-25-17-15(18(27)26(4-2)19(25)28)22-16(23-17)13-9-21-24(11-13)10-12-6-5-7-14(20)8-12/h5-9,11H,3-4,10H2,1-2H3,(H,22,23)
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380n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50188565
PNG
(8-(1-(2-fluoro-3-methylbenzyl)-1H-pyrazol-4-yl)-1,...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(C)c2F)c1
Show InChI InChI=1S/C22H25FN6O2/c1-4-9-28-20-18(21(30)29(10-5-2)22(28)31)25-19(26-20)16-11-24-27(13-16)12-15-8-6-7-14(3)17(15)23/h6-8,11,13H,4-5,9-10,12H2,1-3H3,(H,25,26)
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390n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188580
PNG
(8-(1-(2,6-difluorobenzyl)-1H-pyrazol-4-yl)-1,3-dip...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2c(F)cccc2F)c1
Show InChI InChI=1S/C21H22F2N6O2/c1-3-8-28-19-17(20(30)29(9-4-2)21(28)31)25-18(26-19)13-10-24-27(11-13)12-14-15(22)6-5-7-16(14)23/h5-7,10-11H,3-4,8-9,12H2,1-2H3,(H,25,26)
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390n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50233082
PNG
(8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C22H23F3N6O2/c1-3-8-30-19-17(20(32)31(9-4-2)21(30)33)27-18(28-19)15-11-26-29(13-15)12-14-6-5-7-16(10-14)22(23,24)25/h5-7,10-11,13H,3-4,8-9,12H2,1-2H3,(H,27,28)
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400n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2a receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50086170
PNG
((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30)
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400n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188591
PNG
(8-(1-(3-(trifluoromethyl)-4-methoxybenzyl)-1H-pyra...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(OC)c(c2)C(F)(F)F)c1
Show InChI InChI=1S/C23H25F3N6O3/c1-4-8-31-20-18(21(33)32(9-5-2)22(31)34)28-19(29-20)15-11-27-30(13-15)12-14-6-7-17(35-3)16(10-14)23(24,25)26/h6-7,10-11,13H,4-5,8-9,12H2,1-3H3,(H,28,29)
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410n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50188583
PNG
(8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)
Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C20H19F3N6O2/c1-3-28-17-15(18(30)29(4-2)19(28)31)25-16(26-17)13-9-24-27(11-13)10-12-6-5-7-14(8-12)20(21,22)23/h5-9,11H,3-4,10H2,1-2H3,(H,25,26)
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450n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2a receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50188565
PNG
(8-(1-(2-fluoro-3-methylbenzyl)-1H-pyrazol-4-yl)-1,...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(C)c2F)c1
Show InChI InChI=1S/C22H25FN6O2/c1-4-9-28-20-18(21(30)29(10-5-2)22(28)31)25-19(26-20)16-11-24-27(13-16)12-15-8-6-7-14(3)17(15)23/h6-8,11,13H,4-5,9-10,12H2,1-3H3,(H,25,26)
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460n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2a receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50236760
PNG
(8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-dimethy...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cnn(Cc2cccc(F)c2)c1
Show InChI InChI=1S/C17H15FN6O2/c1-22-15-13(16(25)23(2)17(22)26)20-14(21-15)11-7-19-24(9-11)8-10-4-3-5-12(18)6-10/h3-7,9H,8H2,1-2H3,(H,20,21)
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460n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50086170
PNG
((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30)
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500n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2a receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50188542
PNG
(8-(1-(3-chloro-2-fluorobenzyl)-1H-pyrazol-4-yl)-1,...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(Cl)c2F)c1
Show InChI InChI=1S/C21H22ClFN6O2/c1-3-8-28-19-17(20(30)29(9-4-2)21(28)31)25-18(26-19)14-10-24-27(12-14)11-13-6-5-7-15(22)16(13)23/h5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,25,26)
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530n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50188560
PNG
(8-(1-phenyl-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purin...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(c1)-c1ccccc1
Show InChI InChI=1S/C20H22N6O2/c1-3-10-24-18-16(19(27)25(11-4-2)20(24)28)22-17(23-18)14-12-21-26(13-14)15-8-6-5-7-9-15/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,22,23)
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560n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2a receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50086170
PNG
((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30)
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570n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50188583
PNG
(8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)
Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C20H19F3N6O2/c1-3-28-17-15(18(30)29(4-2)19(28)31)25-16(26-17)13-9-24-27(11-13)10-12-6-5-7-14(8-12)20(21,22)23/h5-9,11H,3-4,10H2,1-2H3,(H,25,26)
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570n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50188544
PNG
(8-(1-phenethyl-1H-pyrazol-4-yl)-1,3-dipropyl-1H-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CCc2ccccc2)c1
Show InChI InChI=1S/C22H26N6O2/c1-3-11-27-20-18(21(29)28(12-4-2)22(27)30)24-19(25-20)17-14-23-26(15-17)13-10-16-8-6-5-7-9-16/h5-9,14-15H,3-4,10-13H2,1-2H3,(H,24,25)
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570n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2a receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50188553
PNG
(8-(1-benzyl-1H-pyrazol-4-yl)-1,3-diethyl-1H-purine...)
Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C19H20N6O2/c1-3-24-17-15(18(26)25(4-2)19(24)27)21-16(22-17)14-10-20-23(12-14)11-13-8-6-5-7-9-13/h5-10,12H,3-4,11H2,1-2H3,(H,21,22)
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580n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50188550
PNG
(8-(1-benzyl-1H-pyrazol-4-yl)-1,3-diisobutyl-1H-pur...)
Show SMILES CC(C)Cn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C23H28N6O2/c1-15(2)11-28-21-19(22(30)29(23(28)31)12-16(3)4)25-20(26-21)18-10-24-27(14-18)13-17-8-6-5-7-9-17/h5-10,14-16H,11-13H2,1-4H3,(H,25,26)
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620n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188587
PNG
(8-(1-(4-fluoro-3-(trifluoromethyl)benzyl)-1H-pyraz...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(F)c(c2)C(F)(F)F)c1
Show InChI InChI=1S/C22H22F4N6O2/c1-3-7-31-19-17(20(33)32(8-4-2)21(31)34)28-18(29-19)14-10-27-30(12-14)11-13-5-6-16(23)15(9-13)22(24,25)26/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,28,29)
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640n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188571
PNG
(8-(1-(2,4,6-trifluorobenzyl)-1H-pyrazol-4-yl)-1,3-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2c(F)cc(F)cc2F)c1
Show InChI InChI=1S/C21H21F3N6O2/c1-3-5-29-19-17(20(31)30(6-4-2)21(29)32)26-18(27-19)12-9-25-28(10-12)11-14-15(23)7-13(22)8-16(14)24/h7-10H,3-6,11H2,1-2H3,(H,26,27)
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650n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50188578
PNG
(8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C18H15F3N6O2/c1-25-15-13(16(28)26(2)17(25)29)23-14(24-15)11-7-22-27(9-11)8-10-4-3-5-12(6-10)18(19,20)21/h3-7,9H,8H2,1-2H3,(H,23,24)
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690n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2a receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188588
PNG
(8-(1-(2,4-difluorobenzyl)-1H-pyrazol-4-yl)-1,3-dip...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(F)cc2F)c1
Show InChI InChI=1S/C21H22F2N6O2/c1-3-7-28-19-17(20(30)29(8-4-2)21(28)31)25-18(26-19)14-10-24-27(12-14)11-13-5-6-15(22)9-16(13)23/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,25,26)
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700n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50188560
PNG
(8-(1-phenyl-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purin...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(c1)-c1ccccc1
Show InChI InChI=1S/C20H22N6O2/c1-3-10-24-18-16(19(27)25(11-4-2)20(24)28)22-17(23-18)14-12-21-26(13-14)15-8-6-5-7-9-15/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,22,23)
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770n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50188549
PNG
(8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-diisobu...)
Show SMILES CC(C)Cn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cnn(Cc2cccc(F)c2)c1
Show InChI InChI=1S/C23H27FN6O2/c1-14(2)10-29-21-19(22(31)30(23(29)32)11-15(3)4)26-20(27-21)17-9-25-28(13-17)12-16-6-5-7-18(24)8-16/h5-9,13-15H,10-12H2,1-4H3,(H,26,27)
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830n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50188542
PNG
(8-(1-(3-chloro-2-fluorobenzyl)-1H-pyrazol-4-yl)-1,...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(Cl)c2F)c1
Show InChI InChI=1S/C21H22ClFN6O2/c1-3-8-28-19-17(20(30)29(9-4-2)21(28)31)25-18(26-19)14-10-24-27(12-14)11-13-6-5-7-15(22)16(13)23/h5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,25,26)
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870n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2a receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50188564
PNG
(8-(1-benzyl-1H-pyrazol-4-yl)-1,3-dibutyl-1H-purine...)
Show SMILES CCCCn1c2nc([nH]c2c(=O)n(CCCC)c1=O)-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C23H28N6O2/c1-3-5-12-28-21-19(22(30)29(23(28)31)13-6-4-2)25-20(26-21)18-14-24-27(16-18)15-17-10-8-7-9-11-17/h7-11,14,16H,3-6,12-13,15H2,1-2H3,(H,25,26)
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890n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2a receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188564
PNG
(8-(1-benzyl-1H-pyrazol-4-yl)-1,3-dibutyl-1H-purine...)
Show SMILES CCCCn1c2nc([nH]c2c(=O)n(CCCC)c1=O)-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C23H28N6O2/c1-3-5-12-28-21-19(22(30)29(23(28)31)13-6-4-2)25-20(26-21)18-14-24-27(16-18)15-17-10-8-7-9-11-17/h7-11,14,16H,3-6,12-13,15H2,1-2H3,(H,25,26)
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980n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50188578
PNG
(8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C18H15F3N6O2/c1-25-15-13(16(28)26(2)17(25)29)23-14(24-15)11-7-22-27(9-11)8-10-4-3-5-12(6-10)18(19,20)21/h3-7,9H,8H2,1-2H3,(H,23,24)
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990n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188549
PNG
(8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-diisobu...)
Show SMILES CC(C)Cn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cnn(Cc2cccc(F)c2)c1
Show InChI InChI=1S/C23H27FN6O2/c1-14(2)10-29-21-19(22(31)30(23(29)32)11-15(3)4)26-20(27-21)17-9-25-28(13-17)12-16-6-5-7-18(24)8-16/h5-9,13-15H,10-12H2,1-4H3,(H,26,27)
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990n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50229886
PNG
(2-(3,4-Dimethoxy-phenyl)-N-[5-(2,6-dioxo-1,3-dipro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(OC)c(OC)c2)nn1C
Show InChI InChI=1S/C25H31N7O5/c1-6-10-31-23-21(24(34)32(11-7-2)25(31)35)27-22(28-23)16-14-19(29-30(16)3)26-20(33)13-15-8-9-17(36-4)18(12-15)37-5/h8-9,12,14H,6-7,10-11,13H2,1-5H3,(H,27,28)(H,26,29,33)
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>1.00E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50229886
PNG
(2-(3,4-Dimethoxy-phenyl)-N-[5-(2,6-dioxo-1,3-dipro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(OC)c(OC)c2)nn1C
Show InChI InChI=1S/C25H31N7O5/c1-6-10-31-23-21(24(34)32(11-7-2)25(31)35)27-22(28-23)16-14-19(29-30(16)3)26-20(33)13-15-8-9-17(36-4)18(12-15)37-5/h8-9,12,14H,6-7,10-11,13H2,1-5H3,(H,27,28)(H,26,29,33)
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>1.00E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50229886
PNG
(2-(3,4-Dimethoxy-phenyl)-N-[5-(2,6-dioxo-1,3-dipro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(OC)c(OC)c2)nn1C
Show InChI InChI=1S/C25H31N7O5/c1-6-10-31-23-21(24(34)32(11-7-2)25(31)35)27-22(28-23)16-14-19(29-30(16)3)26-20(33)13-15-8-9-17(36-4)18(12-15)37-5/h8-9,12,14H,6-7,10-11,13H2,1-5H3,(H,27,28)(H,26,29,33)
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>1.00E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2a receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50188578
PNG
(8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C18H15F3N6O2/c1-25-15-13(16(28)26(2)17(25)29)23-14(24-15)11-7-22-27(9-11)8-10-4-3-5-12(6-10)18(19,20)21/h3-7,9H,8H2,1-2H3,(H,23,24)
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1.00E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50188550
PNG
(8-(1-benzyl-1H-pyrazol-4-yl)-1,3-diisobutyl-1H-pur...)
Show SMILES CC(C)Cn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C23H28N6O2/c1-15(2)11-28-21-19(22(30)29(23(28)31)12-16(3)4)25-20(26-21)18-10-24-27(14-18)13-17-8-6-5-7-9-17/h5-10,14-16H,11-13H2,1-4H3,(H,25,26)
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1.10E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2a receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188582
PNG
(8-(1-phenyl-1H-pyrazol-5-yl)-1,3-dipropyl-1H-purin...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccnn1-c1ccccc1
Show InChI InChI=1S/C20H22N6O2/c1-3-12-24-18-16(19(27)25(13-4-2)20(24)28)22-17(23-18)15-10-11-21-26(15)14-8-6-5-7-9-14/h5-11H,3-4,12-13H2,1-2H3,(H,22,23)
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1.10E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50188569
PNG
(8-(1-(2-chloro-5-(trifluoromethyl)benzyl)-1H-pyraz...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(ccc2Cl)C(F)(F)F)c1
Show InChI InChI=1S/C22H22ClF3N6O2/c1-3-7-31-19-17(20(33)32(8-4-2)21(31)34)28-18(29-19)14-10-27-30(12-14)11-13-9-15(22(24,25)26)5-6-16(13)23/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,28,29)
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1.20E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188550
PNG
(8-(1-benzyl-1H-pyrazol-4-yl)-1,3-diisobutyl-1H-pur...)
Show SMILES CC(C)Cn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C23H28N6O2/c1-15(2)11-28-21-19(22(30)29(23(28)31)12-16(3)4)25-20(26-21)18-10-24-27(14-18)13-17-8-6-5-7-9-17/h5-10,14-16H,11-13H2,1-4H3,(H,25,26)
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1.25E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50188549
PNG
(8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-diisobu...)
Show SMILES CC(C)Cn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cnn(Cc2cccc(F)c2)c1
Show InChI InChI=1S/C23H27FN6O2/c1-14(2)10-29-21-19(22(31)30(23(29)32)11-15(3)4)26-20(27-21)17-9-25-28(13-17)12-16-6-5-7-18(24)8-16/h5-9,13-15H,10-12H2,1-4H3,(H,26,27)
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1.30E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2a receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50188569
PNG
(8-(1-(2-chloro-5-(trifluoromethyl)benzyl)-1H-pyraz...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(ccc2Cl)C(F)(F)F)c1
Show InChI InChI=1S/C22H22ClF3N6O2/c1-3-7-31-19-17(20(33)32(8-4-2)21(31)34)28-18(29-19)14-10-27-30(12-14)11-13-9-15(22(24,25)26)5-6-16(13)23/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,28,29)
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1.40E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2a receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50188564
PNG
(8-(1-benzyl-1H-pyrazol-4-yl)-1,3-dibutyl-1H-purine...)
Show SMILES CCCCn1c2nc([nH]c2c(=O)n(CCCC)c1=O)-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C23H28N6O2/c1-3-5-12-28-21-19(22(30)29(23(28)31)13-6-4-2)25-20(26-21)18-14-24-27(16-18)15-17-10-8-7-9-11-17/h7-11,14,16H,3-6,12-13,15H2,1-2H3,(H,25,26)
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1.40E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188541
PNG
(8-(1-ethyl-3-methyl-1H-pyrazol-5-yl)-1,3-dipropyl-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)nn1CC
Show InChI InChI=1S/C17H24N6O2/c1-5-8-21-15-13(16(24)22(9-6-2)17(21)25)18-14(19-15)12-10-11(4)20-23(12)7-3/h10H,5-9H2,1-4H3,(H,18,19)
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2.10E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188572
PNG
(8-(1-benzyl-1H-pyrazol-4-yl)-1,3-dimethyl-1H-purin...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C17H16N6O2/c1-21-15-13(16(24)22(2)17(21)25)19-14(20-15)12-8-18-23(10-12)9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,19,20)
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2.30E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50188569
PNG
(8-(1-(2-chloro-5-(trifluoromethyl)benzyl)-1H-pyraz...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(ccc2Cl)C(F)(F)F)c1
Show InChI InChI=1S/C22H22ClF3N6O2/c1-3-7-31-19-17(20(33)32(8-4-2)21(31)34)28-18(29-19)14-10-27-30(12-14)11-13-9-15(22(24,25)26)5-6-16(13)23/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,28,29)
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2.80E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50188555
PNG
(8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)
Show SMILES CC(C)Cn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C24H27F3N6O2/c1-14(2)10-32-21-19(22(34)33(23(32)35)11-15(3)4)29-20(30-21)17-9-28-31(13-17)12-16-6-5-7-18(8-16)24(25,26)27/h5-9,13-15H,10-12H2,1-4H3,(H,29,30)
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3.10E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50188572
PNG
(8-(1-benzyl-1H-pyrazol-4-yl)-1,3-dimethyl-1H-purin...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C17H16N6O2/c1-21-15-13(16(24)22(2)17(21)25)19-14(20-15)12-8-18-23(10-12)9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,19,20)
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3.50E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2a receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188577
PNG
(8-(1,3-dimethyl-1H-pyrazol-5-yl)-1,3-dipropyl-1H-p...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)nn1C
Show InChI InChI=1S/C16H22N6O2/c1-5-7-21-14-12(15(23)22(8-6-2)16(21)24)17-13(18-14)11-9-10(3)19-20(11)4/h9H,5-8H2,1-4H3,(H,17,18)
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3.70E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188592
PNG
(8-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-1,3-dipropyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(c1C)-c1ccccc1
Show InChI InChI=1S/C21H24N6O2/c1-4-11-25-19-17(20(28)26(12-5-2)21(25)29)23-18(24-19)16-13-22-27(14(16)3)15-9-7-6-8-10-15/h6-10,13H,4-5,11-12H2,1-3H3,(H,23,24)
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>4.10E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50188555
PNG
(8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)
Show SMILES CC(C)Cn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C24H27F3N6O2/c1-14(2)10-32-21-19(22(34)33(23(32)35)11-15(3)4)29-20(30-21)17-9-28-31(13-17)12-16-6-5-7-18(8-16)24(25,26)27/h5-9,13-15H,10-12H2,1-4H3,(H,29,30)
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4.30E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2a receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50001493
PNG
(3-Propyl-3,7-dihydro-purine-2,6-dione | 3-Propyl-3...)
Show SMILES CCCn1c2nc[nH]c2c(=O)[nH]c1=O
Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)
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4.73E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188584
PNG
(8-(1-(2-chloro-5-fluorobenzyl)-1H-pyrazol-4-yl)-1,...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(F)ccc2Cl)c1
Show InChI InChI=1S/C21H22ClFN6O2/c1-3-7-28-19-17(20(30)29(8-4-2)21(28)31)25-18(26-19)14-10-24-27(12-14)11-13-9-15(23)5-6-16(13)22/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,25,26)
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4.80E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188568
PNG
(1,3-dipropyl-8-(N-1-pyrazolyl)xanthine | CHEMBL379...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-n1cccn1
Show InChI InChI=1S/C14H18N6O2/c1-3-7-18-11-10(12(21)19(8-4-2)14(18)22)16-13(17-11)20-9-5-6-15-20/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17)
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>5.80E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188586
PNG
(7-N-benzyl-1,3-dipropyl-8-(N-1-pyrazolyl)xanthine ...)
Show SMILES CCCn1c2nc(-n3cccn3)n(Cc3ccccc3)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C21H24N6O2/c1-3-12-24-18-17(19(28)25(13-4-2)21(24)29)26(15-16-9-6-5-7-10-16)20(23-18)27-14-8-11-22-27/h5-11,14H,3-4,12-13,15H2,1-2H3
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>5.80E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188567
PNG
(7-N-benzyl-1,3-dipropyl-8-[N-1-(4-iodo)pyrazolyl]x...)
Show SMILES CCCn1c2nc(-n3cc(I)cn3)n(Cc3ccccc3)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C21H23IN6O2/c1-3-10-25-18-17(19(29)26(11-4-2)21(25)30)27(13-15-8-6-5-7-9-15)20(24-18)28-14-16(22)12-23-28/h5-9,12,14H,3-4,10-11,13H2,1-2H3
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>5.80E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50188572
PNG
(8-(1-benzyl-1H-pyrazol-4-yl)-1,3-dimethyl-1H-purin...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C17H16N6O2/c1-21-15-13(16(24)22(2)17(21)25)19-14(20-15)12-8-18-23(10-12)9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,19,20)
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>6.00E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188554
PNG
(8-(1-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyraz...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(c1C(F)(F)F)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H20ClF3N6O2/c1-3-9-29-18-15(19(32)30(10-4-2)20(29)33)27-17(28-18)14-11-26-31(16(14)21(23,24)25)13-7-5-12(22)6-8-13/h5-8,11H,3-4,9-10H2,1-2H3,(H,27,28)
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>6.60E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188538
PNG
(8-(1-phenyl-5-propyl-1H-pyrazol-4-yl)-1,3-dipropyl...)
Show SMILES CCCc1c(cnn1-c1ccccc1)-c1nc2n(CCC)c(=O)n(CCC)c(=O)c2[nH]1
Show InChI InChI=1S/C23H28N6O2/c1-4-10-18-17(15-24-29(18)16-11-8-7-9-12-16)20-25-19-21(26-20)27(13-5-2)23(31)28(14-6-3)22(19)30/h7-9,11-12,15H,4-6,10,13-14H2,1-3H3,(H,25,26)
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>6.60E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188539
PNG
(8-(5-(trifluoromethyl)-1-phenyl-1H-pyrazol-4-yl)-1...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(c1C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C21H21F3N6O2/c1-3-10-28-18-15(19(31)29(11-4-2)20(28)32)26-17(27-18)14-12-25-30(16(14)21(22,23)24)13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3,(H,26,27)
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>6.60E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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6.70E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2a receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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6.92E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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9.07E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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2.23E+4n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50001493
PNG
(3-Propyl-3,7-dihydro-purine-2,6-dione | 3-Propyl-3...)
Show SMILES CCCn1c2nc[nH]c2c(=O)[nH]c1=O
Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)
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4.20E+4n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50001493
PNG
(3-Propyl-3,7-dihydro-purine-2,6-dione | 3-Propyl-3...)
Show SMILES CCCn1c2nc[nH]c2c(=O)[nH]c1=O
Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)
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8.13E+4n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2a receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50001493
PNG
(3-Propyl-3,7-dihydro-purine-2,6-dione | 3-Propyl-3...)
Show SMILES CCCn1c2nc[nH]c2c(=O)[nH]c1=O
Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)
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Article
PubMed
9.26E+4n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3682-92 (2006)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%