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Compile Data Set for Download or QSAR

Found 659 hits with Last Name = 'gimbel' and Initial = 'a'   
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 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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0.600n/an/an/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2a receptor by using as [3H]-ZM-241,385 radioligand in membranes from HEK-A2A cells


Bioorg Med Chem Lett 15: 609-12 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.044
BindingDB Entry DOI: 10.7270/Q29K49QX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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0.600n/an/an/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor by using as [3H]-CPX iradioligand n membranes from Chinese hamster ovary cells


Bioorg Med Chem Lett 15: 609-12 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.044
BindingDB Entry DOI: 10.7270/Q29K49QX
More data for this
Ligand-Target Pair
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))
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]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells


J Med Chem 51: 2267-78 (2008)


Article DOI: 10.1021/jm7014815
BindingDB Entry DOI: 10.7270/Q2MC90W2
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50176751
PNG
(8-(1-((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)-1H-py...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccccc2)c1
Show InChI InChI=1S/C23H24N8O3/c1-3-10-30-21-18(22(32)31(11-4-2)23(30)33)26-19(27-21)16-12-24-29(13-16)14-17-25-20(28-34-17)15-8-6-5-7-9-15/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,26,27)
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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 Adenosine A2B receptor expressed in HEK cells


Bioorg Med Chem Lett 16: 302-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.002
BindingDB Entry DOI: 10.7270/Q2154GM1
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))
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
Binding affinity against Adenosine A2b receptor labeled by [3H]-ZM-241,385 in membranes prepared from HEK-A2B cells


Bioorg Med Chem Lett 15: 609-12 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.044
BindingDB Entry DOI: 10.7270/Q29K49QX
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50376936
PNG
(CHEMBL408266)
Show SMILES CCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C18H18N6O2/c1-3-24-17(25)14-16(22(2)18(24)26)21-15(20-14)13-9-19-23(11-13)10-12-7-5-4-6-8-12/h4-9,11H,3,10H2,1-2H3,(H,20,21)
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2n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells


J Med Chem 51: 2267-78 (2008)


Article DOI: 10.1021/jm7014815
BindingDB Entry DOI: 10.7270/Q2MC90W2
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50233097
PNG
(8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)
Show SMILES FC(F)(F)c1cccc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)c1
Show InChI InChI=1S/C20H17F3N6O2/c21-20(22,23)14-3-1-2-12(6-14)8-28-10-13(7-24-28)16-25-15-17(26-16)27-19(31)29(18(15)30)9-11-4-5-11/h1-3,6-7,10-11H,4-5,8-9H2,(H,25,26)(H,27,31)
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3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human A2B receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 18: 1397-401 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.008
BindingDB Entry DOI: 10.7270/Q2319VMQ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50159970
PNG
(8-{4-[5-(2-Methoxy-phenyl)-[1,2,4]oxadiazol-3-ylme...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccccc2OC)cc1
Show InChI InChI=1S/C27H28N6O5/c1-4-14-32-24-22(26(34)33(15-5-2)27(32)35)29-23(30-24)17-10-12-18(13-11-17)37-16-21-28-25(38-31-21)19-8-6-7-9-20(19)36-3/h6-13H,4-5,14-16H2,1-3H3,(H,29,30)
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5n/an/an/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A3 receptor by displacement of specific binding of [125I]-AB-MECA in membranes prepared from CHO-A3 cells


Bioorg Med Chem Lett 15: 609-12 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.044
BindingDB Entry DOI: 10.7270/Q29K49QX
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50233099
PNG
(8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1-(cyclopro...)
Show SMILES Fc1cccc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)c1
Show InChI InChI=1S/C19H17FN6O2/c20-14-3-1-2-12(6-14)8-25-10-13(7-21-25)16-22-15-17(23-16)24-19(28)26(18(15)27)9-11-4-5-11/h1-3,6-7,10-11H,4-5,8-9H2,(H,22,23)(H,24,28)
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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 A2B receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 18: 1397-401 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.008
BindingDB Entry DOI: 10.7270/Q2319VMQ
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]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells


J Med Chem 51: 2267-78 (2008)


Article DOI: 10.1021/jm7014815
BindingDB Entry DOI: 10.7270/Q2MC90W2
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 A2b


(Homo sapiens (Human))
BDBM50376954
PNG
(CHEMBL259342)
Show SMILES CCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C19H17F3N6O2/c1-3-28-17(29)14-16(26(2)18(28)30)25-15(24-14)12-8-23-27(10-12)9-11-5-4-6-13(7-11)19(20,21)22/h4-8,10H,3,9H2,1-2H3,(H,24,25)
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6n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells


J Med Chem 51: 2267-78 (2008)


Article DOI: 10.1021/jm7014815
BindingDB Entry DOI: 10.7270/Q2MC90W2
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50233087
PNG
(8-(1-benzyl-1H-pyrazol-4-yl)-1-(cyclopropylmethyl)...)
Show SMILES O=c1[nH]c2nc([nH]c2c(=O)n1CC1CC1)-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C19H18N6O2/c26-18-15-17(23-19(27)25(18)10-13-6-7-13)22-16(21-15)14-8-20-24(11-14)9-12-4-2-1-3-5-12/h1-5,8,11,13H,6-7,9-10H2,(H,21,22)(H,23,27)
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6n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human A2B receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 18: 1397-401 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.008
BindingDB Entry DOI: 10.7270/Q2319VMQ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50233088
PNG
(1-ethyl-8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazo...)
Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C18H15F3N6O2/c1-2-27-16(28)13-15(25-17(27)29)24-14(23-13)11-7-22-26(9-11)8-10-4-3-5-12(6-10)18(19,20)21/h3-7,9H,2,8H2,1H3,(H,23,24)(H,25,29)
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6n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human A2B receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 18: 1397-401 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.008
BindingDB Entry DOI: 10.7270/Q2319VMQ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50376955
PNG
(CHEMBL260490)
Show SMILES CCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1
Show InChI InChI=1S/C18H17FN6O2/c1-3-25-17(26)14-16(23(2)18(25)27)22-15(21-14)12-8-20-24(10-12)9-11-5-4-6-13(19)7-11/h4-8,10H,3,9H2,1-2H3,(H,21,22)
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6n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells


J Med Chem 51: 2267-78 (2008)


Article DOI: 10.1021/jm7014815
BindingDB Entry DOI: 10.7270/Q2MC90W2
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50159960
PNG
(8-{4-[3-(3-Chloro-phenyl)-[1,2,4]oxadiazol-5-ylmet...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C26H25ClN6O4/c1-3-12-32-24-21(25(34)33(13-4-2)26(32)35)29-22(30-24)16-8-10-19(11-9-16)36-15-20-28-23(31-37-20)17-6-5-7-18(27)14-17/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,29,30)
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6.40n/an/an/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor by using as [3H]-CPX (0.5 nM) radioligand in membranes from Chinese hamster ovary cells


Bioorg Med Chem Lett 15: 609-12 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.044
BindingDB Entry DOI: 10.7270/Q29K49QX
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50233086
PNG
(8-(1-((5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl)met...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C20H17ClN8O3/c1-2-7-29-19(30)15-17(26-20(29)31)25-16(24-15)12-8-22-28(9-12)10-14-23-18(32-27-14)11-3-5-13(21)6-4-11/h3-6,8-9H,2,7,10H2,1H3,(H,24,25)(H,26,31)
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7n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human A2B receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 18: 1397-401 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.008
BindingDB Entry DOI: 10.7270/Q2319VMQ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50376948
PNG
(CHEMBL259300)
Show SMILES Cn1c2nc([nH]c2c(=O)n(CC2CC2)c1=O)-c1cnn(Cc2cccc(F)c2)c1
Show InChI InChI=1S/C20H19FN6O2/c1-25-18-16(19(28)27(20(25)29)10-12-5-6-12)23-17(24-18)14-8-22-26(11-14)9-13-3-2-4-15(21)7-13/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H,23,24)
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7n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells


J Med Chem 51: 2267-78 (2008)


Article DOI: 10.1021/jm7014815
BindingDB Entry DOI: 10.7270/Q2MC90W2
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 A1


(Homo sapiens (Human))
BDBM50159959
PNG
(8-{4-[3-(4-Fluoro-phenyl)-[1,2,4]oxadiazol-5-ylmet...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H25FN6O4/c1-3-13-32-24-21(25(34)33(14-4-2)26(32)35)29-22(30-24)16-7-11-19(12-8-16)36-15-20-28-23(31-37-20)17-5-9-18(27)10-6-17/h5-12H,3-4,13-15H2,1-2H3,(H,29,30)
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8n/an/an/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor by using as [3H]-CPX radioligand in membranes from Chinese hamster ovary cells


Bioorg Med Chem Lett 15: 609-12 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.044
BindingDB Entry DOI: 10.7270/Q29K49QX
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50233089
PNG
(8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C19H17F3N6O2/c1-2-6-28-17(29)14-16(26-18(28)30)25-15(24-14)12-8-23-27(10-12)9-11-4-3-5-13(7-11)19(20,21)22/h3-5,7-8,10H,2,6,9H2,1H3,(H,24,25)(H,26,30)
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8n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human A2B receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 18: 1397-401 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.008
BindingDB Entry DOI: 10.7270/Q2319VMQ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50159970
PNG
(8-{4-[5-(2-Methoxy-phenyl)-[1,2,4]oxadiazol-3-ylme...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccccc2OC)cc1
Show InChI InChI=1S/C27H28N6O5/c1-4-14-32-24-22(26(34)33(15-5-2)27(32)35)29-23(30-24)17-10-12-18(13-11-17)37-16-21-28-25(38-31-21)19-8-6-7-9-20(19)36-3/h6-13H,4-5,14-16H2,1-3H3,(H,29,30)
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9n/an/an/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor labeled by [3H]-CPX in membranes prepared from Chinese hamster ovary cells


Bioorg Med Chem Lett 15: 609-12 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.044
BindingDB Entry DOI: 10.7270/Q29K49QX
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))
BDBM50376944
PNG
(CHEMBL258499)
Show SMILES CCn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C22H23F3N6O2/c1-4-30-19-17(20(32)31(21(30)33)10-13(2)3)27-18(28-19)15-9-26-29(12-15)11-14-6-5-7-16(8-14)22(23,24)25/h5-9,12-13H,4,10-11H2,1-3H3,(H,27,28)
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11n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells


J Med Chem 51: 2267-78 (2008)


Article DOI: 10.1021/jm7014815
BindingDB Entry DOI: 10.7270/Q2MC90W2
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50376949
PNG
(CHEMBL259524)
Show SMILES Cn1c2nc([nH]c2c(=O)n(CC2CC2)c1=O)-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C20H20N6O2/c1-24-18-16(19(27)26(20(24)28)11-14-7-8-14)22-17(23-18)15-9-21-25(12-15)10-13-5-3-2-4-6-13/h2-6,9,12,14H,7-8,10-11H2,1H3,(H,22,23)
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11n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells


J Med Chem 51: 2267-78 (2008)


Article DOI: 10.1021/jm7014815
BindingDB Entry DOI: 10.7270/Q2MC90W2
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50376952
PNG
(CHEMBL258507)
Show SMILES CCCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C21H21F3N6O2/c1-3-4-8-30-19(31)16-18(28(2)20(30)32)27-17(26-16)14-10-25-29(12-14)11-13-6-5-7-15(9-13)21(22,23)24/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,26,27)
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11n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells


J Med Chem 51: 2267-78 (2008)


Article DOI: 10.1021/jm7014815
BindingDB Entry DOI: 10.7270/Q2MC90W2
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 A2B receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 18: 1397-401 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.008
BindingDB Entry DOI: 10.7270/Q2319VMQ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50233101
PNG
(8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1-propyl-1H...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1
Show InChI InChI=1S/C18H17FN6O2/c1-2-6-25-17(26)14-16(23-18(25)27)22-15(21-14)12-8-20-24(10-12)9-11-4-3-5-13(19)7-11/h3-5,7-8,10H,2,6,9H2,1H3,(H,21,22)(H,23,27)
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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 A2B receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 18: 1397-401 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.008
BindingDB Entry DOI: 10.7270/Q2319VMQ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50233090
PNG
(1-isobutyl-8-(1-((5-phenylisoxazol-3-yl)methyl)-1H...)
Show SMILES CC(C)Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cc(on2)-c2ccccc2)c1
Show InChI InChI=1S/C22H21N7O3/c1-13(2)10-29-21(30)18-20(26-22(29)31)25-19(24-18)15-9-23-28(11-15)12-16-8-17(32-27-16)14-6-4-3-5-7-14/h3-9,11,13H,10,12H2,1-2H3,(H,24,25)(H,26,31)
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12n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human A2B receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 18: 1397-401 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.008
BindingDB Entry DOI: 10.7270/Q2319VMQ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50376953
PNG
(CHEMBL260976)
Show SMILES CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1
Show InChI InChI=1S/C19H19FN6O2/c1-3-7-26-18(27)15-17(24(2)19(26)28)23-16(22-15)13-9-21-25(11-13)10-12-5-4-6-14(20)8-12/h4-6,8-9,11H,3,7,10H2,1-2H3,(H,22,23)
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13n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells


J Med Chem 51: 2267-78 (2008)


Article DOI: 10.1021/jm7014815
BindingDB Entry DOI: 10.7270/Q2MC90W2
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50233103
PNG
(1-(cyclopropylmethyl)-8-(1-((5-(4-(trifluoromethyl...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)no1
Show InChI InChI=1S/C22H17F3N8O3/c23-22(24,25)14-5-3-12(4-6-14)19-27-15(31-36-19)10-32-9-13(7-26-32)17-28-16-18(29-17)30-21(35)33(20(16)34)8-11-1-2-11/h3-7,9,11H,1-2,8,10H2,(H,28,29)(H,30,35)
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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 A2B receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 18: 1397-401 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.008
BindingDB Entry DOI: 10.7270/Q2319VMQ
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]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells


J Med Chem 51: 2267-78 (2008)


Article DOI: 10.1021/jm7014815
BindingDB Entry DOI: 10.7270/Q2MC90W2
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50233106
PNG
(8-(1-benzyl-1H-pyrazol-4-yl)-1-isobutyl-1H-purine-...)
Show SMILES CC(C)Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C19H20N6O2/c1-12(2)9-25-18(26)15-17(23-19(25)27)22-16(21-15)14-8-20-24(11-14)10-13-6-4-3-5-7-13/h3-8,11-12H,9-10H2,1-2H3,(H,21,22)(H,23,27)
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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 A2B receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 18: 1397-401 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.008
BindingDB Entry DOI: 10.7270/Q2319VMQ
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))
BDBM50233078
PNG
(8-(1-benzyl-1H-pyrazol-4-yl)-1-propyl-1H-purine-2,...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C18H18N6O2/c1-2-8-24-17(25)14-16(22-18(24)26)21-15(20-14)13-9-19-23(11-13)10-12-6-4-3-5-7-12/h3-7,9,11H,2,8,10H2,1H3,(H,20,21)(H,22,26)
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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 A2B receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 18: 1397-401 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.008
BindingDB Entry DOI: 10.7270/Q2319VMQ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50322845
PNG
(3-methyl-1-propyl-8-(1-(3-(trifluoromethyl)benzyl)...)
Show SMILES CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C20H19F3N6O2/c1-3-7-29-18(30)15-17(27(2)19(29)31)26-16(25-15)13-9-24-28(11-13)10-12-5-4-6-14(8-12)20(21,22)23/h4-6,8-9,11H,3,7,10H2,1-2H3,(H,25,26)
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14n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells


J Med Chem 51: 2267-78 (2008)


Article DOI: 10.1021/jm7014815
BindingDB Entry DOI: 10.7270/Q2MC90W2
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50233077
PNG
(1-isobutyl-8-(1-((5-(4-(trifluoromethyl)phenyl)-1,...)
Show SMILES CC(C)Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C22H19F3N8O3/c1-11(2)8-33-20(34)16-18(30-21(33)35)29-17(28-16)13-7-26-32(9-13)10-15-27-19(36-31-15)12-3-5-14(6-4-12)22(23,24)25/h3-7,9,11H,8,10H2,1-2H3,(H,28,29)(H,30,35)
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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 A2B receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 18: 1397-401 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.008
BindingDB Entry DOI: 10.7270/Q2319VMQ
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]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells


J Med Chem 51: 2267-78 (2008)


Article DOI: 10.1021/jm7014815
BindingDB Entry DOI: 10.7270/Q2MC90W2
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 A2b


(Homo sapiens (Human))
BDBM50233091
PNG
(8-(1-((5-phenylisoxazol-3-yl)methyl)-1H-pyrazol-4-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2ccccc2)c1
Show InChI InChI=1S/C24H25N7O3/c1-3-10-30-22-20(23(32)31(11-4-2)24(30)33)26-21(27-22)17-13-25-29(14-17)15-18-12-19(34-28-18)16-8-6-5-7-9-16/h5-9,12-14H,3-4,10-11,15H2,1-2H3,(H,26,27)
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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 A2B receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 18: 1397-401 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.008
BindingDB Entry DOI: 10.7270/Q2319VMQ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50233091
PNG
(8-(1-((5-phenylisoxazol-3-yl)methyl)-1H-pyrazol-4-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2ccccc2)c1
Show InChI InChI=1S/C24H25N7O3/c1-3-10-30-22-20(23(32)31(11-4-2)24(30)33)26-21(27-22)17-13-25-29(14-17)15-18-12-19(34-28-18)16-8-6-5-7-9-16/h5-9,12-14H,3-4,10-11,15H2,1-2H3,(H,26,27)
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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 Adenosine A2B receptor expressed in HEK cells


Bioorg Med Chem Lett 16: 302-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.002
BindingDB Entry DOI: 10.7270/Q2154GM1
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50176739
PNG
(4-(3-((4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydr...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C24H23N9O3/c1-3-9-32-21-19(23(34)33(10-4-2)24(32)35)28-20(29-21)17-12-26-31(13-17)14-18-27-22(36-30-18)16-7-5-15(11-25)6-8-16/h5-8,12-13H,3-4,9-10,14H2,1-2H3,(H,28,29)
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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 Adenosine A2B receptor expressed in HEK cells


Bioorg Med Chem Lett 16: 302-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.002
BindingDB Entry DOI: 10.7270/Q2154GM1
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 A2B receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 18: 1397-401 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.008
BindingDB Entry DOI: 10.7270/Q2319VMQ
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]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells


J Med Chem 51: 2267-78 (2008)


Article DOI: 10.1021/jm7014815
BindingDB Entry DOI: 10.7270/Q2MC90W2
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 A2B receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 18: 1397-401 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.008
BindingDB Entry DOI: 10.7270/Q2319VMQ
More data for this
Ligand-Target Pair
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