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Compile Data Set for Download or QSAR

Found 124 hits with Last Name = 'kiryu' and Initial = 'k'   
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 A3


(Homo sapiens (Human))
BDBM50117232
PNG
(5-Butyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine |...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C16H16N6/c1-2-3-9-12-19-15-13(17-10-18-15)16-20-14(21-22(12)16)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H,17,18)
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n/an/a 0.25n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50117238
PNG
(5-Butyl-8-(4-chloro-phenyl)-3H-[1,2,4]triazolo[5,1...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H15ClN6/c1-2-3-4-12-20-15-13(18-9-19-15)16-21-14(22-23(12)16)10-5-7-11(17)8-6-10/h5-9H,2-4H2,1H3,(H,18,19)
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n/an/a 0.410n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50117215
PNG
(5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]tri...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H15F3N6/c1-2-3-4-12-23-15-13(21-9-22-15)16-24-14(25-26(12)16)10-5-7-11(8-6-10)17(18,19)20/h5-9H,2-4H2,1H3,(H,21,22)
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n/an/a 0.610n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50149106
PNG
(8-Biphenyl-4-yl-5-(2-methoxy-ethyl)-3H-[1,2,4]tria...)
Show SMILES COCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H18N6O/c1-28-12-11-17-24-20-18(22-13-23-20)21-25-19(26-27(17)21)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H,22,23)
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n/an/a 0.900n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50149112
PNG
(5-Butyl-2-(4-fluoro-phenyl)-7H-pyrazolo[4,3-e][1,2...)
Show SMILES CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccc(F)cc1
Show InChI InChI=1S/C16H15FN6/c1-2-3-4-13-19-15-12(9-18-21-15)16-20-14(22-23(13)16)10-5-7-11(17)8-6-10/h5-9H,2-4H2,1H3,(H,18,21)
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n/an/a 1.90n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50145230
PNG
(5-Butyl-2-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo...)
Show SMILES CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C16H16N6/c1-2-3-9-13-18-15-12(10-17-20-15)16-19-14(21-22(13)16)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H,17,20)
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n/an/a 2.10n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50149110
PNG
(5-Butyl-2-p-tolyl-7H-pyrazolo[4,3-e][1,2,4]triazol...)
Show SMILES CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccc(C)cc1
Show InChI InChI=1S/C17H18N6/c1-3-4-5-14-19-16-13(10-18-21-16)17-20-15(22-23(14)17)12-8-6-11(2)7-9-12/h6-10H,3-5H2,1-2H3,(H,18,21)
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n/an/a 4n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50149105
PNG
(2-Phenyl-5-propyl-7H-pyrazolo[4,3-e][1,2,4]triazol...)
Show SMILES CCCc1nc2n[nH]cc2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C15H14N6/c1-2-6-12-17-14-11(9-16-19-14)15-18-13(20-21(12)15)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3,(H,16,19)
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n/an/a 4.10n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50149126
PNG
(5-Butyl-2-(4-chloro-phenyl)-7H-pyrazolo[4,3-e][1,2...)
Show SMILES CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H15ClN6/c1-2-3-4-13-19-15-12(9-18-21-15)16-20-14(22-23(13)16)10-5-7-11(17)8-6-10/h5-9H,2-4H2,1H3,(H,18,21)
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n/an/a 4.90n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50117219
PNG
(8-Biphenyl-4-yl-5-butyl-3H-[1,2,4]triazolo[5,1-i]p...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H20N6/c1-2-3-9-18-25-21-19(23-14-24-21)22-26-20(27-28(18)22)17-12-10-16(11-13-17)15-7-5-4-6-8-15/h4-8,10-14H,2-3,9H2,1H3,(H,23,24)
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n/an/a 5n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50149124
PNG
(4-[8-(4-Chloro-phenyl)-3H-[1,2,4]triazolo[5,1-i]pu...)
Show SMILES OC(=O)CCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13ClN6O2/c17-10-6-4-9(5-7-10)14-21-16-13-15(19-8-18-13)20-11(23(16)22-14)2-1-3-12(24)25/h4-8H,1-3H2,(H,18,19)(H,24,25)
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n/an/a 5.40n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50149118
PNG
(5-Ethyl-2-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo...)
Show SMILES CCc1nc2n[nH]cc2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C14H12N6/c1-2-11-16-13-10(8-15-18-13)14-17-12(19-20(11)14)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,15,18)
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n/an/a 6.20n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50149122
PNG
(2-(4-Bromo-phenyl)-5-butyl-[1,2,4]triazolo[1,5-c]q...)
Show SMILES CCCCc1nc2ccccc2c2nc(nn12)-c1ccc(Br)cc1
Show InChI InChI=1S/C19H17BrN4/c1-2-3-8-17-21-16-7-5-4-6-15(16)19-22-18(23-24(17)19)13-9-11-14(20)12-10-13/h4-7,9-12H,2-3,8H2,1H3
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n/an/a 8.20n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50149129
PNG
(4-(8-Biphenyl-4-yl-3H-[1,2,4]triazolo[5,1-i]purin-...)
Show SMILES OC(=O)CCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H18N6O2/c29-18(30)8-4-7-17-25-21-19(23-13-24-21)22-26-20(27-28(17)22)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-3,5-6,9-13H,4,7-8H2,(H,23,24)(H,29,30)
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n/an/a 8.70n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50149132
PNG
(5-(8-Biphenyl-4-yl-3H-[1,2,4]triazolo[5,1-i]purin-...)
Show SMILES OC(=O)CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H20N6O2/c30-19(31)9-5-4-8-18-26-22-20(24-14-25-22)23-27-21(28-29(18)23)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-3,6-7,10-14H,4-5,8-9H2,(H,24,25)(H,30,31)
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n/an/a 9.10n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50145227
PNG
(5-Butyl-2-(4-methoxy-phenyl)-7H-pyrazolo[4,3-e][1,...)
Show SMILES CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccc(OC)cc1
Show InChI InChI=1S/C17H18N6O/c1-3-4-5-14-19-16-13(10-18-21-16)17-20-15(22-23(14)17)11-6-8-12(24-2)9-7-11/h6-10H,3-5H2,1-2H3,(H,18,21)
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n/an/a<10n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [125I]AB-MECA binding at human adenosine A3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50149117
PNG
(5-Butyl-2-(3-chloro-phenyl)-7H-pyrazolo[4,3-e][1,2...)
Show SMILES CCCCc1nc2n[nH]cc2c2nc(nn12)-c1cccc(Cl)c1
Show InChI InChI=1S/C16H15ClN6/c1-2-3-7-13-19-15-12(9-18-21-15)16-20-14(22-23(13)16)10-5-4-6-11(17)8-10/h4-6,8-9H,2-3,7H2,1H3,(H,18,21)
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n/an/a<10n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [125I]AB-MECA binding at human adenosine A3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50149136
PNG
(5-Butyl-2-(4-ethoxy-phenyl)-7H-pyrazolo[4,3-e][1,2...)
Show SMILES CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccc(OCC)cc1
Show InChI InChI=1S/C18H20N6O/c1-3-5-6-15-20-17-14(11-19-22-17)18-21-16(23-24(15)18)12-7-9-13(10-8-12)25-4-2/h7-11H,3-6H2,1-2H3,(H,19,22)
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n/an/a<10n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [125I]AB-MECA binding at human adenosine A3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50149120
PNG
(5-Butyl-2-(2-chloro-phenyl)-7H-pyrazolo[4,3-e][1,2...)
Show SMILES CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccccc1Cl
Show InChI InChI=1S/C16H15ClN6/c1-2-3-8-13-19-14-11(9-18-21-14)16-20-15(22-23(13)16)10-6-4-5-7-12(10)17/h4-7,9H,2-3,8H2,1H3,(H,18,21)
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n/an/a<10n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [125I]AB-MECA binding at human adenosine A3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50149116
PNG
(4-(5-Butyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-...)
Show SMILES CCCCc1nc2ccccc2c2nc(nn12)-c1ccc(O)cc1
Show InChI InChI=1S/C19H18N4O/c1-2-3-8-17-20-16-7-5-4-6-15(16)19-21-18(22-23(17)19)13-9-11-14(24)12-10-13/h4-7,9-12,24H,2-3,8H2,1H3
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n/an/a 10n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50149121
PNG
(5-Butyl-2-(4-ethyl-phenyl)-7H-pyrazolo[4,3-e][1,2,...)
Show SMILES CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccc(CC)cc1
Show InChI InChI=1S/C18H20N6/c1-3-5-6-15-20-17-14(11-19-22-17)18-21-16(23-24(15)18)13-9-7-12(4-2)8-10-13/h7-11H,3-6H2,1-2H3,(H,19,22)
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n/an/a 12n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50149127
PNG
(3-(8-Biphenyl-4-yl-3H-[1,2,4]triazolo[5,1-i]purin-...)
Show SMILES OC(=O)CCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H16N6O2/c28-17(29)11-10-16-24-20-18(22-12-23-20)21-25-19(26-27(16)21)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,22,23)(H,28,29)
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n/an/a 15n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50149128
PNG
(2-(4-Bromo-phenyl)-5-butyl-7H-pyrazolo[4,3-e][1,2,...)
Show SMILES CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccc(Br)cc1
Show InChI InChI=1S/C16H15BrN6/c1-2-3-4-13-19-15-12(9-18-21-15)16-20-14(22-23(13)16)10-5-7-11(17)8-6-10/h5-9H,2-4H2,1H3,(H,18,21)
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n/an/a 19n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50149130
PNG
(2-(4-Bromo-phenyl)-5-butyl-9-chloro-[1,2,4]triazol...)
Show SMILES CCCCc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccc(Br)cc1
Show InChI InChI=1S/C19H16BrClN4/c1-2-3-4-17-22-16-10-9-14(21)11-15(16)19-23-18(24-25(17)19)12-5-7-13(20)8-6-12/h5-11H,2-4H2,1H3
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n/an/a 22n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50149111
PNG
(5-Butyl-2-(4-chloro-phenyl)-[1,2,4]triazolo[1,5-c]...)
Show SMILES CCCCc1nc2ccccc2c2nc(nn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H17ClN4/c1-2-3-8-17-21-16-7-5-4-6-15(16)19-22-18(23-24(17)19)13-9-11-14(20)12-10-13/h4-7,9-12H,2-3,8H2,1H3
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n/an/a 26n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50145230
PNG
(5-Butyl-2-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo...)
Show SMILES CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C16H16N6/c1-2-3-9-13-18-15-12(10-17-20-15)16-19-14(21-22(13)16)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H,17,20)
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n/an/a>27n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-DPCPX binding at human adenosine A1 receptor expressed in CHO cells.


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50149118
PNG
(5-Ethyl-2-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo...)
Show SMILES CCc1nc2n[nH]cc2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C14H12N6/c1-2-11-16-13-10(8-15-18-13)14-17-12(19-20(11)14)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,15,18)
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n/an/a 27n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-DPCPX binding at human adenosine A1 receptor expressed in CHO cells.


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50149108
PNG
(5-Butyl-2-(4-fluoro-phenyl)-[1,2,4]triazolo[1,5-c]...)
Show SMILES CCCCc1nc2ccccc2c2nc(nn12)-c1ccc(F)cc1
Show InChI InChI=1S/C19H17FN4/c1-2-3-8-17-21-16-7-5-4-6-15(16)19-22-18(23-24(17)19)13-9-11-14(20)12-10-13/h4-7,9-12H,2-3,8H2,1H3
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n/an/a 28n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50149104
PNG
(5-Butyl-9-chloro-2-(4-chloro-phenyl)-[1,2,4]triazo...)
Show SMILES CCCCc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H16Cl2N4/c1-2-3-4-17-22-16-10-9-14(21)11-15(16)19-23-18(24-25(17)19)12-5-7-13(20)8-6-12/h5-11H,2-4H2,1H3
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n/an/a 28n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50149103
PNG
(5-Butyl-9-chloro-2-(4-methoxy-phenyl)-[1,2,4]triaz...)
Show SMILES CCCCc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccc(OC)cc1
Show InChI InChI=1S/C20H19ClN4O/c1-3-4-5-18-22-17-11-8-14(21)12-16(17)20-23-19(24-25(18)20)13-6-9-15(26-2)10-7-13/h6-12H,3-5H2,1-2H3
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n/an/a 33n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50149133
PNG
(5-Butyl-8-chloro-2-(4-methoxy-phenyl)-[1,2,4]triaz...)
Show SMILES CCCCc1nc2cc(Cl)ccc2c2nc(nn12)-c1ccc(OC)cc1
Show InChI InChI=1S/C20H19ClN4O/c1-3-4-5-18-22-17-12-14(21)8-11-16(17)20-23-19(24-25(18)20)13-6-9-15(26-2)10-7-13/h6-12H,3-5H2,1-2H3
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n/an/a 34n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50149107
PNG
(5-Butyl-2-p-tolyl-[1,2,4]triazolo[1,5-c]quinazolin...)
Show SMILES CCCCc1nc2ccccc2c2nc(nn12)-c1ccc(C)cc1
Show InChI InChI=1S/C20H20N4/c1-3-4-9-18-21-17-8-6-5-7-16(17)20-22-19(23-24(18)20)15-12-10-14(2)11-13-15/h5-8,10-13H,3-4,9H2,1-2H3
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n/an/a 34n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50149113
PNG
(5-Butyl-2-(4-ethoxy-phenyl)-[1,2,4]triazolo[1,5-c]...)
Show SMILES CCCCc1nc2ccccc2c2nc(nn12)-c1ccc(OCC)cc1
Show InChI InChI=1S/C21H22N4O/c1-3-5-10-19-22-18-9-7-6-8-17(18)21-23-20(24-25(19)21)15-11-13-16(14-12-15)26-4-2/h6-9,11-14H,3-5,10H2,1-2H3
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n/an/a 35n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50149105
PNG
(2-Phenyl-5-propyl-7H-pyrazolo[4,3-e][1,2,4]triazol...)
Show SMILES CCCc1nc2n[nH]cc2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C15H14N6/c1-2-6-12-17-14-11(9-16-19-14)15-18-13(20-21(12)15)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3,(H,16,19)
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n/an/a>38n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-DPCPX binding at human adenosine A1 receptor expressed in CHO cells.


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50149134
PNG
(5-Butyl-2-(4-propyl-phenyl)-7H-pyrazolo[4,3-e][1,2...)
Show SMILES CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccc(CCC)cc1
Show InChI InChI=1S/C19H22N6/c1-3-5-7-16-21-18-15(12-20-23-18)19-22-17(24-25(16)19)14-10-8-13(6-4-2)9-11-14/h8-12H,3-7H2,1-2H3,(H,20,23)
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n/an/a 42n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50149123
PNG
(5-Butyl-9-chloro-2-phenyl-[1,2,4]triazolo[1,5-c]qu...)
Show SMILES CCCCc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C19H17ClN4/c1-2-3-9-17-21-16-11-10-14(20)12-15(16)19-22-18(23-24(17)19)13-7-5-4-6-8-13/h4-8,10-12H,2-3,9H2,1H3
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n/an/a 45n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50149115
PNG
(5-Butyl-8-chloro-2-phenyl-[1,2,4]triazolo[1,5-c]qu...)
Show SMILES CCCCc1nc2cc(Cl)ccc2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C19H17ClN4/c1-2-3-9-17-21-16-12-14(20)10-11-15(16)19-22-18(23-24(17)19)13-7-5-4-6-8-13/h4-8,10-12H,2-3,9H2,1H3
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n/an/a 48n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50117232
PNG
(5-Butyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine |...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C16H16N6/c1-2-3-9-12-19-15-13(17-10-18-15)16-20-14(21-22(12)16)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H,17,18)
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n/an/a 71n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-CGS- 21680 binding at human adenosine A2A receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50149118
PNG
(5-Ethyl-2-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo...)
Show SMILES CCc1nc2n[nH]cc2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C14H12N6/c1-2-11-16-13-10(8-15-18-13)14-17-12(19-20(11)14)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,15,18)
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n/an/a<100n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [3H]DPCPX binding at human adenosine A2B receptor expressed in HEK293 cells.


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50149119
PNG
(5-Butyl-8-methyl-2-phenyl-[1,2,4]triazolo[1,5-c]qu...)
Show SMILES CCCCc1nc2cc(C)ccc2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C20H20N4/c1-3-4-10-18-21-17-13-14(2)11-12-16(17)20-22-19(23-24(18)20)15-8-6-5-7-9-15/h5-9,11-13H,3-4,10H2,1-2H3
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n/an/a 110n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50149135
PNG
(5-Butyl-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazo...)
Show SMILES CCCCc1nc2ccccc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C17H16N4O/c1-2-3-10-15-18-13-8-5-4-7-12(13)17-19-16(20-21(15)17)14-9-6-11-22-14/h4-9,11H,2-3,10H2,1H3
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n/an/a 120n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50149105
PNG
(2-Phenyl-5-propyl-7H-pyrazolo[4,3-e][1,2,4]triazol...)
Show SMILES CCCc1nc2n[nH]cc2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C15H14N6/c1-2-6-12-17-14-11(9-16-19-14)15-18-13(20-21(12)15)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3,(H,16,19)
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n/an/a>120n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-CGS- 21680 binding at human adenosine A2A receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50145228
PNG
(5-Butyl-2-(4-trifluoromethyl-phenyl)-7H-pyrazolo[4...)
Show SMILES CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H15F3N6/c1-2-3-4-13-22-15-12(9-21-24-15)16-23-14(25-26(13)16)10-5-7-11(8-6-10)17(18,19)20/h5-9H,2-4H2,1H3,(H,21,24)
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n/an/a 130n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50149120
PNG
(5-Butyl-2-(2-chloro-phenyl)-7H-pyrazolo[4,3-e][1,2...)
Show SMILES CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccccc1Cl
Show InChI InChI=1S/C16H15ClN6/c1-2-3-8-13-19-14-11(9-18-21-14)16-20-15(22-23(13)16)10-6-4-5-7-12(10)17/h4-7,9H,2-3,8H2,1H3,(H,18,21)
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n/an/a 130n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-CGS- 21680 binding at human adenosine A2A receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50149137
PNG
(2-Biphenyl-4-yl-5-butyl-[1,2,4]triazolo[1,5-c]quin...)
Show SMILES CCCCc1nc2ccccc2c2nc(nn12)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C25H22N4/c1-2-3-13-23-26-22-12-8-7-11-21(22)25-27-24(28-29(23)25)20-16-14-19(15-17-20)18-9-5-4-6-10-18/h4-12,14-17H,2-3,13H2,1H3
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n/an/a 140n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50149131
PNG
(5-Butyl-2-(4-tert-butyl-phenyl)-7H-pyrazolo[4,3-e]...)
Show SMILES CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C20H24N6/c1-5-6-7-16-22-18-15(12-21-24-18)19-23-17(25-26(16)19)13-8-10-14(11-9-13)20(2,3)4/h8-12H,5-7H2,1-4H3,(H,21,24)
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n/an/a 150n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50145231
PNG
(5-Butyl-2-(4-methoxy-phenyl)-[1,2,4]triazolo[1,5-c...)
Show SMILES CCCCc1nc2ccccc2c2nc(nn12)-c1ccc(OC)cc1
Show InChI InChI=1S/C20H20N4O/c1-3-4-9-18-21-17-8-6-5-7-16(17)20-22-19(23-24(18)20)14-10-12-15(25-2)13-11-14/h5-8,10-13H,3-4,9H2,1-2H3
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n/an/a 160n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50145230
PNG
(5-Butyl-2-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo...)
Show SMILES CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C16H16N6/c1-2-3-9-13-18-15-12(10-17-20-15)16-19-14(21-22(13)16)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H,17,20)
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n/an/a>190n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-CGS- 21680 binding at human adenosine A2A receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50145226
PNG
(5-Butyl-2-phenyl-[1,2,4]triazolo[1,5-c]quinazoline...)
Show SMILES CCCCc1nc2ccccc2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C19H18N4/c1-2-3-13-17-20-16-12-8-7-11-15(16)19-21-18(22-23(17)19)14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3
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n/an/a 260n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50149118
PNG
(5-Ethyl-2-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo...)
Show SMILES CCc1nc2n[nH]cc2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C14H12N6/c1-2-11-16-13-10(8-15-18-13)14-17-12(19-20(11)14)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,15,18)
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n/an/a 310n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-CGS- 21680 binding at human adenosine A2A receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 14: 3775-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.099
BindingDB Entry DOI: 10.7270/Q21R6PZM
More data for this
Ligand-Target Pair
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