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PubMed code 8863792

Compile data set for download or QSAR
Found 22 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))
BDBM50053947
PNG
(2-(4-Methylamino-1-phenyl-1H-pyrazolo[3,4-d]pyrimi...)
Show SMILES CCCCC(Sc1nc(NC)c2cnn(-c3ccccc3)c2n1)C(N)=O
Show InChI InChI=1S/C18H22N6OS/c1-3-4-10-14(15(19)25)26-18-22-16(20-2)13-11-21-24(17(13)23-18)12-8-6-5-7-9-12/h5-9,11,14H,3-4,10H2,1-2H3,(H2,19,25)(H,20,22,23)
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0.745n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N6-PIA from Adenosine A1 receptor from rat whole brain


J Med Chem 39: 4156-61 (1996)


Article DOI: 10.1021/jm960052s
BindingDB Entry DOI: 10.7270/Q29Z9404
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50053941
PNG
(2-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-...)
Show SMILES CCCCC(Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O
Show InChI InChI=1S/C17H20N6OS/c1-2-3-9-13(15(19)24)25-17-21-14(18)12-10-20-23(16(12)22-17)11-7-5-4-6-8-11/h4-8,10,13H,2-3,9H2,1H3,(H2,19,24)(H2,18,21,22)
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0.939n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N6-PIA from Adenosine A1 receptor from rat whole brain


J Med Chem 39: 4156-61 (1996)


Article DOI: 10.1021/jm960052s
BindingDB Entry DOI: 10.7270/Q29Z9404
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50053943
PNG
(2-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-...)
Show SMILES CCCC(Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O
Show InChI InChI=1S/C16H18N6OS/c1-2-6-12(14(18)23)24-16-20-13(17)11-9-19-22(15(11)21-16)10-7-4-3-5-8-10/h3-5,7-9,12H,2,6H2,1H3,(H2,18,23)(H2,17,20,21)
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1.08n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N6-PIA from Adenosine A1 receptor from rat whole brain


J Med Chem 39: 4156-61 (1996)


Article DOI: 10.1021/jm960052s
BindingDB Entry DOI: 10.7270/Q29Z9404
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50053944
PNG
(2-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-...)
Show SMILES CCC(Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O
Show InChI InChI=1S/C15H16N6OS/c1-2-11(13(17)22)23-15-19-12(16)10-8-18-21(14(10)20-15)9-6-4-3-5-7-9/h3-8,11H,2H2,1H3,(H2,17,22)(H2,16,19,20)
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1.56n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N6-PIA from Adenosine A1 receptor from rat whole brain


J Med Chem 39: 4156-61 (1996)


Article DOI: 10.1021/jm960052s
BindingDB Entry DOI: 10.7270/Q29Z9404
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50053938
PNG
(2-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-...)
Show SMILES CC(C)C(Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O
Show InChI InChI=1S/C16H18N6OS/c1-9(2)12(14(18)23)24-16-20-13(17)11-8-19-22(15(11)21-16)10-6-4-3-5-7-10/h3-9,12H,1-2H3,(H2,18,23)(H2,17,20,21)
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2.73n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N6-PIA from Adenosine A1 receptor from rat whole brain


J Med Chem 39: 4156-61 (1996)


Article DOI: 10.1021/jm960052s
BindingDB Entry DOI: 10.7270/Q29Z9404
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50053948
PNG
(2-(4-Methylsulfanyl-1-phenyl-1H-pyrazolo[3,4-d]pyr...)
Show SMILES CCCCC(Sc1nc(SC)c2cnn(-c3ccccc3)c2n1)C(N)=O
Show InChI InChI=1S/C18H21N5OS2/c1-3-4-10-14(15(19)24)26-18-21-16-13(17(22-18)25-2)11-20-23(16)12-8-6-5-7-9-12/h5-9,11,14H,3-4,10H2,1-2H3,(H2,19,24)
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6.81n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N6-PIA from Adenosine A1 receptor from rat whole brain


J Med Chem 39: 4156-61 (1996)


Article DOI: 10.1021/jm960052s
BindingDB Entry DOI: 10.7270/Q29Z9404
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50053937
PNG
(2-(4-Methylsulfanyl-1-phenyl-1H-pyrazolo[3,4-d]pyr...)
Show SMILES CCCC(Sc1nc(SC)c2cnn(-c3ccccc3)c2n1)C(N)=O
Show InChI InChI=1S/C17H19N5OS2/c1-3-7-13(14(18)23)25-17-20-15-12(16(21-17)24-2)10-19-22(15)11-8-5-4-6-9-11/h4-6,8-10,13H,3,7H2,1-2H3,(H2,18,23)
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7.55n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N6-PIA from Adenosine A1 receptor from rat whole brain


J Med Chem 39: 4156-61 (1996)


Article DOI: 10.1021/jm960052s
BindingDB Entry DOI: 10.7270/Q29Z9404
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50053940
PNG
(2-(4-Methylsulfanyl-1-phenyl-1H-pyrazolo[3,4-d]pyr...)
Show SMILES CCC(Sc1nc(SC)c2cnn(-c3ccccc3)c2n1)C(N)=O
Show InChI InChI=1S/C16H17N5OS2/c1-3-12(13(17)22)24-16-19-14-11(15(20-16)23-2)9-18-21(14)10-7-5-4-6-8-10/h4-9,12H,3H2,1-2H3,(H2,17,22)
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8.40n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N6-PIA from Adenosine A1 receptor from rat whole brain


J Med Chem 39: 4156-61 (1996)


Article DOI: 10.1021/jm960052s
BindingDB Entry DOI: 10.7270/Q29Z9404
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50053945
PNG
(3-Methyl-2-(4-methylsulfanyl-1-phenyl-1H-pyrazolo[...)
Show SMILES CSc1nc(SC(C(C)C)C(N)=O)nc2n(ncc12)-c1ccccc1
Show InChI InChI=1S/C17H19N5OS2/c1-10(2)13(14(18)23)25-17-20-15-12(16(21-17)24-3)9-19-22(15)11-7-5-4-6-8-11/h4-10,13H,1-3H3,(H2,18,23)
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15.7n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N6-PIA from Adenosine A1 receptor from rat whole brain


J Med Chem 39: 4156-61 (1996)


Article DOI: 10.1021/jm960052s
BindingDB Entry DOI: 10.7270/Q29Z9404
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50053943
PNG
(2-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-...)
Show SMILES CCCC(Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O
Show InChI InChI=1S/C16H18N6OS/c1-2-6-12(14(18)23)24-16-20-13(17)11-9-19-22(15(11)21-16)10-7-4-3-5-8-10/h3-5,7-9,12H,2,6H2,1H3,(H2,18,23)(H2,17,20,21)
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35.3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS-21,680 binding to Adenosine A2A receptor of rat striatal membranes


J Med Chem 39: 4156-61 (1996)


Article DOI: 10.1021/jm960052s
BindingDB Entry DOI: 10.7270/Q29Z9404
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50053939
PNG
(2-(4-Mercapto-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin...)
Show SMILES CCCCC(Sc1nc2n(ncc2c(=S)[nH]1)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C17H19N5OS2/c1-2-3-9-13(14(18)23)25-17-20-15-12(16(24)21-17)10-19-22(15)11-7-5-4-6-8-11/h4-8,10,13H,2-3,9H2,1H3,(H2,18,23)(H,20,21,24)
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37.2n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N6-PIA from Adenosine A1 receptor from rat whole brain


J Med Chem 39: 4156-61 (1996)


Article DOI: 10.1021/jm960052s
BindingDB Entry DOI: 10.7270/Q29Z9404
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50053944
PNG
(2-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-...)
Show SMILES CCC(Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O
Show InChI InChI=1S/C15H16N6OS/c1-2-11(13(17)22)23-15-19-12(16)10-8-18-21(14(10)20-15)9-6-4-3-5-7-9/h3-8,11H,2H2,1H3,(H2,17,22)(H2,16,19,20)
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44.5n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS-21,680 binding to Adenosine A2A receptor of rat striatal membranes


J Med Chem 39: 4156-61 (1996)


Article DOI: 10.1021/jm960052s
BindingDB Entry DOI: 10.7270/Q29Z9404
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50053946
PNG
(2-(4-Mercapto-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin...)
Show SMILES CCCC(Sc1nc2n(ncc2c(=S)[nH]1)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C16H17N5OS2/c1-2-6-12(13(17)22)24-16-19-14-11(15(23)20-16)9-18-21(14)10-7-4-3-5-8-10/h3-5,7-9,12H,2,6H2,1H3,(H2,17,22)(H,19,20,23)
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56.3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N6-PIA from Adenosine A1 receptor from rat whole brain


J Med Chem 39: 4156-61 (1996)


Article DOI: 10.1021/jm960052s
BindingDB Entry DOI: 10.7270/Q29Z9404
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50053941
PNG
(2-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-...)
Show SMILES CCCCC(Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O
Show InChI InChI=1S/C17H20N6OS/c1-2-3-9-13(15(19)24)25-17-21-14(18)12-10-20-23(16(12)22-17)11-7-5-4-6-8-11/h4-8,10,13H,2-3,9H2,1H3,(H2,19,24)(H2,18,21,22)
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88.3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS-21,680 binding to Adenosine A2A receptor of rat striatal membranes


J Med Chem 39: 4156-61 (1996)


Article DOI: 10.1021/jm960052s
BindingDB Entry DOI: 10.7270/Q29Z9404
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50053938
PNG
(2-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-...)
Show SMILES CC(C)C(Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O
Show InChI InChI=1S/C16H18N6OS/c1-9(2)12(14(18)23)24-16-20-13(17)11-8-19-22(15(11)21-16)10-6-4-3-5-7-10/h3-9,12H,1-2H3,(H2,18,23)(H2,17,20,21)
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147n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS-21,680 binding to Adenosine A2A receptor of rat striatal membranes


J Med Chem 39: 4156-61 (1996)


Article DOI: 10.1021/jm960052s
BindingDB Entry DOI: 10.7270/Q29Z9404
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50053942
PNG
(2-(4-Mercapto-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin...)
Show SMILES CCC(Sc1nc2n(ncc2c(=S)[nH]1)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C15H15N5OS2/c1-2-11(12(16)21)23-15-18-13-10(14(22)19-15)8-17-20(13)9-6-4-3-5-7-9/h3-8,11H,2H2,1H3,(H2,16,21)(H,18,19,22)
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155n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N6-PIA from Adenosine A1 receptor from rat whole brain


J Med Chem 39: 4156-61 (1996)


Article DOI: 10.1021/jm960052s
BindingDB Entry DOI: 10.7270/Q29Z9404
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50053947
PNG
(2-(4-Methylamino-1-phenyl-1H-pyrazolo[3,4-d]pyrimi...)
Show SMILES CCCCC(Sc1nc(NC)c2cnn(-c3ccccc3)c2n1)C(N)=O
Show InChI InChI=1S/C18H22N6OS/c1-3-4-10-14(15(19)25)26-18-22-16(20-2)13-11-21-24(17(13)23-18)12-8-6-5-7-9-12/h5-9,11,14H,3-4,10H2,1-2H3,(H2,19,25)(H,20,22,23)
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247n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS-21,680 binding to Adenosine A2A receptor of rat striatal membranes


J Med Chem 39: 4156-61 (1996)


Article DOI: 10.1021/jm960052s
BindingDB Entry DOI: 10.7270/Q29Z9404
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50053949
PNG
(2-(4-Mercapto-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin...)
Show SMILES CC(C)C(Sc1nc2n(ncc2c(=S)[nH]1)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C16H17N5OS2/c1-9(2)12(13(17)22)24-16-19-14-11(15(23)20-16)8-18-21(14)10-6-4-3-5-7-10/h3-9,12H,1-2H3,(H2,17,22)(H,19,20,23)
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256n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N6-PIA from Adenosine A1 receptor from rat whole brain


J Med Chem 39: 4156-61 (1996)


Article DOI: 10.1021/jm960052s
BindingDB Entry DOI: 10.7270/Q29Z9404
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50053940
PNG
(2-(4-Methylsulfanyl-1-phenyl-1H-pyrazolo[3,4-d]pyr...)
Show SMILES CCC(Sc1nc(SC)c2cnn(-c3ccccc3)c2n1)C(N)=O
Show InChI InChI=1S/C16H17N5OS2/c1-3-12(13(17)22)24-16-19-14-11(15(20-16)23-2)9-18-21(14)10-7-5-4-6-8-10/h4-9,12H,3H2,1-2H3,(H2,17,22)
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796n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS-21,680 binding to Adenosine A2A receptor of rat striatal membranes


J Med Chem 39: 4156-61 (1996)


Article DOI: 10.1021/jm960052s
BindingDB Entry DOI: 10.7270/Q29Z9404
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50053937
PNG
(2-(4-Methylsulfanyl-1-phenyl-1H-pyrazolo[3,4-d]pyr...)
Show SMILES CCCC(Sc1nc(SC)c2cnn(-c3ccccc3)c2n1)C(N)=O
Show InChI InChI=1S/C17H19N5OS2/c1-3-7-13(14(18)23)25-17-20-15-12(16(21-17)24-2)10-19-22(15)11-8-5-4-6-9-11/h4-6,8-10,13H,3,7H2,1-2H3,(H2,18,23)
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4.38E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS-21,680 binding to Adenosine A2A receptor of rat striatal membranes


J Med Chem 39: 4156-61 (1996)


Article DOI: 10.1021/jm960052s
BindingDB Entry DOI: 10.7270/Q29Z9404
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50053946
PNG
(2-(4-Mercapto-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin...)
Show SMILES CCCC(Sc1nc2n(ncc2c(=S)[nH]1)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C16H17N5OS2/c1-2-6-12(13(17)22)24-16-19-14-11(15(23)20-16)9-18-21(14)10-7-4-3-5-8-10/h3-5,7-9,12H,2,6H2,1H3,(H2,17,22)(H,19,20,23)
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4.45E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS-21,680 binding to Adenosine A2A receptor of rat striatal membranes


J Med Chem 39: 4156-61 (1996)


Article DOI: 10.1021/jm960052s
BindingDB Entry DOI: 10.7270/Q29Z9404
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50053942
PNG
(2-(4-Mercapto-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin...)
Show SMILES CCC(Sc1nc2n(ncc2c(=S)[nH]1)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C15H15N5OS2/c1-2-11(12(16)21)23-15-18-13-10(14(22)19-15)8-17-20(13)9-6-4-3-5-7-9/h3-8,11H,2H2,1H3,(H2,16,21)(H,18,19,22)
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8.75E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS-21,680 binding to Adenosine A2A receptor of rat striatal membranes


J Med Chem 39: 4156-61 (1996)


Article DOI: 10.1021/jm960052s
BindingDB Entry DOI: 10.7270/Q29Z9404
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%