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Compile Data Set for Download or QSAR

Found 6 hits of ph data with Target = 'Adenosine receptor A3'   
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))
BDBM106372
PNG
(N-[9-(ortho-fluorobenzyl)-2-phenyl-9H-8-azapurin-6...)
Show SMILES Fc1ccccc1Cn1nnc2c(NC(=O)C3CCC3)nc(nc12)-c1ccccc1
Show InChI InChI=1S/C22H19FN6O/c23-17-12-5-4-9-16(17)13-29-21-18(27-28-29)20(26-22(30)15-10-6-11-15)24-19(25-21)14-7-2-1-3-8-14/h1-5,7-9,12,15H,6,10-11,13H2,(H,24,25,26,30)
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PC sid
UniChem

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Article
PubMed
72n/an/an/an/an/an/a7.4n/a



Universit£ di Pisa



Assay Description
For A1 adenosine receptors, 40 mg of protein were incubated for 60 min at 25°C with [3H]DPCPX 0.5 nM (Kd = 0.4 nM) and increasing concentrations...


Chem Biol Drug Des 82: 22-38 (2013)


Article DOI: 10.1111/cbdd.12131
BindingDB Entry DOI: 10.7270/Q2445K4Z
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM106376
PNG
(N-[9-(ortho-fluorobenzyl)-2-phenyl-9H-8-azapurin-6...)
Show SMILES Fc1ccccc1Cn1nnc2c(NC(=O)c3ccoc3)nc(nc12)-c1ccccc1
Show InChI InChI=1S/C22H15FN6O2/c23-17-9-5-4-8-15(17)12-29-21-18(27-28-29)20(26-22(30)16-10-11-31-13-16)24-19(25-21)14-6-2-1-3-7-14/h1-11,13H,12H2,(H,24,25,26,30)
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PC sid
UniChem

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Article
PubMed
91n/an/an/an/an/an/a7.4n/a



Universit£ di Pisa



Assay Description
For A1 adenosine receptors, 40 mg of protein were incubated for 60 min at 25°C with [3H]DPCPX 0.5 nM (Kd = 0.4 nM) and increasing concentrations...


Chem Biol Drug Des 82: 22-38 (2013)


Article DOI: 10.1111/cbdd.12131
BindingDB Entry DOI: 10.7270/Q2445K4Z
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM106373
PNG
(N-[9-(ortho-fluorobenzyl)-2-phenyl-9H-8-azapurin-6...)
Show SMILES Fc1ccccc1Cn1nnc2c(NC(=O)C3CCCC3)nc(nc12)-c1ccccc1
Show InChI InChI=1S/C23H21FN6O/c24-18-13-7-6-12-17(18)14-30-22-19(28-29-30)21(27-23(31)16-10-4-5-11-16)25-20(26-22)15-8-2-1-3-9-15/h1-3,6-9,12-13,16H,4-5,10-11,14H2,(H,25,26,27,31)
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PC sid
UniChem

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Article
PubMed
190n/an/an/an/an/an/a7.4n/a



Universit£ di Pisa



Assay Description
For A1 adenosine receptors, 40 mg of protein were incubated for 60 min at 25°C with [3H]DPCPX 0.5 nM (Kd = 0.4 nM) and increasing concentrations...


Chem Biol Drug Des 82: 22-38 (2013)


Article DOI: 10.1111/cbdd.12131
BindingDB Entry DOI: 10.7270/Q2445K4Z
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM106375
PNG
(N-[9-(ortho-fluorobenzyl)-2-phenyl-9H-8-azapurin-6...)
Show SMILES Fc1ccccc1Cn1nnc2c(NC(=O)c3ccco3)nc(nc12)-c1ccccc1
Show InChI InChI=1S/C22H15FN6O2/c23-16-10-5-4-9-15(16)13-29-21-18(27-28-29)20(26-22(30)17-11-6-12-31-17)24-19(25-21)14-7-2-1-3-8-14/h1-12H,13H2,(H,24,25,26,30)
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PC sid
UniChem

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Article
PubMed
224n/an/an/an/an/an/a7.4n/a



Universit£ di Pisa



Assay Description
For A1 adenosine receptors, 40 mg of protein were incubated for 60 min at 25°C with [3H]DPCPX 0.5 nM (Kd = 0.4 nM) and increasing concentrations...


Chem Biol Drug Des 82: 22-38 (2013)


Article DOI: 10.1111/cbdd.12131
BindingDB Entry DOI: 10.7270/Q2445K4Z
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM106371
PNG
(N-[9-(ortho-fluorobenzyl)-2-phenyl-9H-8-azapurin-6...)
Show SMILES Fc1ccccc1Cn1nnc2c(NC(=O)C3CC3)nc(nc12)-c1ccccc1
Show InChI InChI=1S/C21H17FN6O/c22-16-9-5-4-8-15(16)12-28-20-17(26-27-28)19(25-21(29)14-10-11-14)23-18(24-20)13-6-2-1-3-7-13/h1-9,14H,10-12H2,(H,23,24,25,29)
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PC cid
PC sid
UniChem

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Article
PubMed
292n/an/an/an/an/an/a7.4n/a



Universit£ di Pisa



Assay Description
For A1 adenosine receptors, 40 mg of protein were incubated for 60 min at 25°C with [3H]DPCPX 0.5 nM (Kd = 0.4 nM) and increasing concentrations...


Chem Biol Drug Des 82: 22-38 (2013)


Article DOI: 10.1111/cbdd.12131
BindingDB Entry DOI: 10.7270/Q2445K4Z
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM106374
PNG
(N-[9-(ortho-fluorobenzyl)-2-phenyl-9H-8-azapurin-6...)
Show SMILES Fc1ccccc1Cn1nnc2c(NC(=O)C3CCCCC3)nc(nc12)-c1ccccc1
Show InChI InChI=1S/C24H23FN6O/c25-19-14-8-7-13-18(19)15-31-23-20(29-30-31)22(28-24(32)17-11-5-2-6-12-17)26-21(27-23)16-9-3-1-4-10-16/h1,3-4,7-10,13-14,17H,2,5-6,11-12,15H2,(H,26,27,28,32)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
413n/an/an/an/an/an/a7.4n/a



Universit£ di Pisa



Assay Description
For A1 adenosine receptors, 40 mg of protein were incubated for 60 min at 25°C with [3H]DPCPX 0.5 nM (Kd = 0.4 nM) and increasing concentrations...


Chem Biol Drug Des 82: 22-38 (2013)


Article DOI: 10.1111/cbdd.12131
BindingDB Entry DOI: 10.7270/Q2445K4Z
More data for this
Ligand-Target Pair