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PubMed code 10450966

Compile data set for download or QSAR
Found 16 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


(Rattus norvegicus (rat))
BDBM50450928
PNG
(CHEMBL2113728)
Show SMILES OC(=O)C[C@@H]1CCCC[C@H]1n1nc(ccc1=O)-c1c(nn2ccccc12)-c1ccccc1
Show InChI InChI=1S/C25H24N4O3/c30-22-14-13-19(26-29(22)20-11-5-4-10-18(20)16-23(31)32)24-21-12-6-7-15-28(21)27-25(24)17-8-2-1-3-9-17/h1-3,6-9,12-15,18,20H,4-5,10-11,16H2,(H,31,32)/t18-,20+/m0/s1
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n/an/a 3.60n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Adenosine A1 Receptor using [3H]-CHA in rat cortical membranes


Bioorg Med Chem Lett 9: 1979-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00304-2
BindingDB Entry DOI: 10.7270/Q2348JK6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
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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n/an/a 4.70n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Adenosine A1 Receptor using [3H]-CHA in rat cortical membranes


Bioorg Med Chem Lett 9: 1979-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00304-2
BindingDB Entry DOI: 10.7270/Q2348JK6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50079655
PNG
(CHEMBL294302 | {2-[6-Oxo-3-(2-phenyl-pyrazolo[1,5-...)
Show SMILES OC(=O)CC1=C(CCC1)n1nc(ccc1=O)-c1c(nn2ccccc12)-c1ccccc1
Show InChI InChI=1S/C24H20N4O3/c29-21-13-12-18(25-28(21)19-11-6-9-17(19)15-22(30)31)23-20-10-4-5-14-27(20)26-24(23)16-7-2-1-3-8-16/h1-5,7-8,10,12-14H,6,9,11,15H2,(H,30,31)
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n/an/a 11n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Adenosine A1 Receptor using [3H]-CHA in rat cortical membranes


Bioorg Med Chem Lett 9: 1979-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00304-2
BindingDB Entry DOI: 10.7270/Q2348JK6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50079650
PNG
(CHEMBL59673 | FR-166124 | {2-[6-Oxo-3-(2-phenyl-py...)
Show SMILES OC(=O)CC1=C(CCCC1)n1nc(ccc1=O)-c1c(nn2ccccc12)-c1ccccc1
Show InChI InChI=1S/C25H22N4O3/c30-22-14-13-19(26-29(22)20-11-5-4-10-18(20)16-23(31)32)24-21-12-6-7-15-28(21)27-25(24)17-8-2-1-3-9-17/h1-3,6-9,12-15H,4-5,10-11,16H2,(H,31,32)
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n/an/a 15n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Adenosine A1 Receptor using [3H]-CHA in rat cortical membranes


Bioorg Med Chem Lett 9: 1979-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00304-2
BindingDB Entry DOI: 10.7270/Q2348JK6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50079649
PNG
(CHEMBL59466 | {2-[6-Oxo-3-(2-phenyl-pyrazolo[1,5-a...)
Show SMILES OC(=O)CC1=C(CCCCC1)n1nc(ccc1=O)-c1c(nn2ccccc12)-c1ccccc1
Show InChI InChI=1S/C26H24N4O3/c31-23-15-14-20(27-30(23)21-12-6-2-5-11-19(21)17-24(32)33)25-22-13-7-8-16-29(22)28-26(25)18-9-3-1-4-10-18/h1,3-4,7-10,13-16H,2,5-6,11-12,17H2,(H,32,33)
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n/an/a 16n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Adenosine A1 Receptor using [3H]-CHA in rat cortical membranes


Bioorg Med Chem Lett 9: 1979-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00304-2
BindingDB Entry DOI: 10.7270/Q2348JK6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50079652
PNG
((E)-1-[(R)-2-(2-Hydroxy-ethyl)-piperidin-1-yl]-3-(...)
Show SMILES OCC[C@H]1CCCCN1C(=O)\C=C\c1c(nn2ccccc12)-c1ccccc1
Show InChI InChI=1S/C23H25N3O2/c27-17-14-19-10-4-6-15-25(19)22(28)13-12-20-21-11-5-7-16-26(21)24-23(20)18-8-2-1-3-9-18/h1-3,5,7-9,11-13,16,19,27H,4,6,10,14-15,17H2/b13-12+/t19-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Adenosine A1 Receptor using [3H]-CHA in rat cortical membranes


Bioorg Med Chem Lett 9: 1979-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00304-2
BindingDB Entry DOI: 10.7270/Q2348JK6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50450927
PNG
(CHEMBL2113729)
Show SMILES OC(=O)C[C@H]1CCCC[C@H]1n1nc(ccc1=O)-c1c(nn2ccccc12)-c1ccccc1
Show InChI InChI=1S/C25H24N4O3/c30-22-14-13-19(26-29(22)20-11-5-4-10-18(20)16-23(31)32)24-21-12-6-7-15-28(21)27-25(24)17-8-2-1-3-9-17/h1-3,6-9,12-15,18,20H,4-5,10-11,16H2,(H,31,32)/t18-,20-/m1/s1
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n/an/a 34n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Adenosine A1 Receptor using [3H]-CHA in rat cortical membranes


Bioorg Med Chem Lett 9: 1979-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00304-2
BindingDB Entry DOI: 10.7270/Q2348JK6
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50450928
PNG
(CHEMBL2113728)
Show SMILES OC(=O)C[C@@H]1CCCC[C@H]1n1nc(ccc1=O)-c1c(nn2ccccc12)-c1ccccc1
Show InChI InChI=1S/C25H24N4O3/c30-22-14-13-19(26-29(22)20-11-5-4-10-18(20)16-23(31)32)24-21-12-6-7-15-28(21)27-25(24)17-8-2-1-3-9-17/h1-3,6-9,12-15,18,20H,4-5,10-11,16H2,(H,31,32)/t18-,20+/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Adenosine A2a receptor using [3H]-NECA in rat striatal membranes


Bioorg Med Chem Lett 9: 1979-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00304-2
BindingDB Entry DOI: 10.7270/Q2348JK6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50079654
PNG
(4-(6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)py...)
Show SMILES OC(=O)CCCn1nc(ccc1=O)-c1c(nn2ccccc12)-c1ccccc1
Show InChI InChI=1S/C21H18N4O3/c26-18-12-11-16(22-25(18)14-6-10-19(27)28)20-17-9-4-5-13-24(17)23-21(20)15-7-2-1-3-8-15/h1-5,7-9,11-13H,6,10,14H2,(H,27,28)
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n/an/a 120n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Adenosine A1 Receptor using [3H]-CHA in rat cortical membranes


Bioorg Med Chem Lett 9: 1979-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00304-2
BindingDB Entry DOI: 10.7270/Q2348JK6
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50079655
PNG
(CHEMBL294302 | {2-[6-Oxo-3-(2-phenyl-pyrazolo[1,5-...)
Show SMILES OC(=O)CC1=C(CCC1)n1nc(ccc1=O)-c1c(nn2ccccc12)-c1ccccc1
Show InChI InChI=1S/C24H20N4O3/c29-21-13-12-18(25-28(21)19-11-6-9-17(19)15-22(30)31)23-20-10-4-5-14-27(20)26-24(23)16-7-2-1-3-8-16/h1-5,7-8,10,12-14H,6,9,11,15H2,(H,30,31)
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n/an/a 840n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Adenosine A2a receptor using [3H]-NECA in rat striatal membranes


Bioorg Med Chem Lett 9: 1979-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00304-2
BindingDB Entry DOI: 10.7270/Q2348JK6
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
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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n/an/a 1.10E+3n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Adenosine A2a receptor using [3H]-NECA in rat striatal membranes


Bioorg Med Chem Lett 9: 1979-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00304-2
BindingDB Entry DOI: 10.7270/Q2348JK6
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50450927
PNG
(CHEMBL2113729)
Show SMILES OC(=O)C[C@H]1CCCC[C@H]1n1nc(ccc1=O)-c1c(nn2ccccc12)-c1ccccc1
Show InChI InChI=1S/C25H24N4O3/c30-22-14-13-19(26-29(22)20-11-5-4-10-18(20)16-23(31)32)24-21-12-6-7-15-28(21)27-25(24)17-8-2-1-3-9-17/h1-3,6-9,12-15,18,20H,4-5,10-11,16H2,(H,31,32)/t18-,20-/m1/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Adenosine A2a receptor using [3H]-NECA in rat striatal membranes


Bioorg Med Chem Lett 9: 1979-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00304-2
BindingDB Entry DOI: 10.7270/Q2348JK6
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50079649
PNG
(CHEMBL59466 | {2-[6-Oxo-3-(2-phenyl-pyrazolo[1,5-a...)
Show SMILES OC(=O)CC1=C(CCCCC1)n1nc(ccc1=O)-c1c(nn2ccccc12)-c1ccccc1
Show InChI InChI=1S/C26H24N4O3/c31-23-15-14-20(27-30(23)21-12-6-2-5-11-19(21)17-24(32)33)25-22-13-7-8-16-29(22)28-26(25)18-9-3-1-4-10-18/h1,3-4,7-10,13-16H,2,5-6,11-12,17H2,(H,32,33)
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n/an/a 5.50E+3n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Adenosine A2a receptor using [3H]-NECA in rat striatal membranes


Bioorg Med Chem Lett 9: 1979-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00304-2
BindingDB Entry DOI: 10.7270/Q2348JK6
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50079654
PNG
(4-(6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)py...)
Show SMILES OC(=O)CCCn1nc(ccc1=O)-c1c(nn2ccccc12)-c1ccccc1
Show InChI InChI=1S/C21H18N4O3/c26-18-12-11-16(22-25(18)14-6-10-19(27)28)20-17-9-4-5-13-24(17)23-21(20)15-7-2-1-3-8-15/h1-5,7-9,11-13H,6,10,14H2,(H,27,28)
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n/an/a 5.90E+3n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Adenosine A2a receptor using [3H]-NECA in rat striatal membranes


Bioorg Med Chem Lett 9: 1979-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00304-2
BindingDB Entry DOI: 10.7270/Q2348JK6
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50079650
PNG
(CHEMBL59673 | FR-166124 | {2-[6-Oxo-3-(2-phenyl-py...)
Show SMILES OC(=O)CC1=C(CCCC1)n1nc(ccc1=O)-c1c(nn2ccccc12)-c1ccccc1
Show InChI InChI=1S/C25H22N4O3/c30-22-14-13-19(26-29(22)20-11-5-4-10-18(20)16-23(31)32)24-21-12-6-7-15-28(21)27-25(24)17-8-2-1-3-9-17/h1-3,6-9,12-15H,4-5,10-11,16H2,(H,31,32)
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n/an/a 6.20E+3n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Adenosine A2a receptor using [3H]-NECA in rat striatal membranes


Bioorg Med Chem Lett 9: 1979-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00304-2
BindingDB Entry DOI: 10.7270/Q2348JK6
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50079652
PNG
((E)-1-[(R)-2-(2-Hydroxy-ethyl)-piperidin-1-yl]-3-(...)
Show SMILES OCC[C@H]1CCCCN1C(=O)\C=C\c1c(nn2ccccc12)-c1ccccc1
Show InChI InChI=1S/C23H25N3O2/c27-17-14-19-10-4-6-15-25(19)22(28)13-12-20-21-11-5-7-16-26(21)24-23(20)18-8-2-1-3-9-18/h1-3,5,7-9,11-13,16,19,27H,4,6,10,14-15,17H2/b13-12+/t19-/m1/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Adenosine A2a receptor using [3H]-NECA in rat striatal membranes


Bioorg Med Chem Lett 9: 1979-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00304-2
BindingDB Entry DOI: 10.7270/Q2348JK6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%