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Compile Data Set for Download or QSAR

Found 6 hits of ki for monomerid = 59209   
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))
BDBM59209
PNG
(Adenosine analog, 14)
Show SMILES Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCN |r|
Show InChI InChI=1S/C20H25N7O4/c1-11-4-2-3-5-12(11)8-23-17-13-18(25-9-24-17)27(10-26-13)20-15(29)14(28)16(31-20)19(30)22-7-6-21/h2-5,9-10,14-16,20,28-29H,6-8,21H2,1H3,(H,22,30)(H,23,24,25)/t14-,15+,16-,20+/m0/s1
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Article
PubMed
320 -37.1n/an/an/an/an/a7.425



National Institutes of Health



Assay Description
Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell.


Chem Biol 12: 237-47 (2005)


Article DOI: 10.1016/j.chembiol.2004.12.010
BindingDB Entry DOI: 10.7270/Q2P26WK5
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM59209
PNG
(Adenosine analog, 14)
Show SMILES Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCN |r|
Show InChI InChI=1S/C20H25N7O4/c1-11-4-2-3-5-12(11)8-23-17-13-18(25-9-24-17)27(10-26-13)20-15(29)14(28)16(31-20)19(30)22-7-6-21/h2-5,9-10,14-16,20,28-29H,6-8,21H2,1H3,(H,22,30)(H,23,24,25)/t14-,15+,16-,20+/m0/s1
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



National Institutes of Health



Assay Description
Binding affinity of ligand at human adenosine receptors expressed in CHO cell.


Chem Biol 12: 237-47 (2005)


Article DOI: 10.1016/j.chembiol.2004.12.010
BindingDB Entry DOI: 10.7270/Q2P26WK5
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM59209
PNG
(Adenosine analog, 14)
Show SMILES Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCN |r|
Show InChI InChI=1S/C20H25N7O4/c1-11-4-2-3-5-12(11)8-23-17-13-18(25-9-24-17)27(10-26-13)20-15(29)14(28)16(31-20)19(30)22-7-6-21/h2-5,9-10,14-16,20,28-29H,6-8,21H2,1H3,(H,22,30)(H,23,24,25)/t14-,15+,16-,20+/m0/s1
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



National Institutes of Health



Assay Description
Binding affinity of ligand at human adenosine receptors expressed in CHO cell.


Chem Biol 12: 237-47 (2005)


Article DOI: 10.1016/j.chembiol.2004.12.010
BindingDB Entry DOI: 10.7270/Q2P26WK5
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM59209
PNG
(Adenosine analog, 14)
Show SMILES Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCN |r|
Show InChI InChI=1S/C20H25N7O4/c1-11-4-2-3-5-12(11)8-23-17-13-18(25-9-24-17)27(10-26-13)20-15(29)14(28)16(31-20)19(30)22-7-6-21/h2-5,9-10,14-16,20,28-29H,6-8,21H2,1H3,(H,22,30)(H,23,24,25)/t14-,15+,16-,20+/m0/s1
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Article
PubMed
5.59E+4n/an/an/an/an/an/an/an/a



National Institutes of Health



Assay Description
Binding affinity of ligand at human adenosine receptors expressed in CHO cell.


Chem Biol 12: 237-47 (2005)


Article DOI: 10.1016/j.chembiol.2004.12.010
BindingDB Entry DOI: 10.7270/Q2P26WK5
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM59209
PNG
(Adenosine analog, 14)
Show SMILES Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCN |r|
Show InChI InChI=1S/C20H25N7O4/c1-11-4-2-3-5-12(11)8-23-17-13-18(25-9-24-17)27(10-26-13)20-15(29)14(28)16(31-20)19(30)22-7-6-21/h2-5,9-10,14-16,20,28-29H,6-8,21H2,1H3,(H,22,30)(H,23,24,25)/t14-,15+,16-,20+/m0/s1
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Article
PubMed
>1.00E+5>-22.8n/an/an/an/an/a7.425



National Institutes of Health



Assay Description
Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell.


Chem Biol 12: 237-47 (2005)


Article DOI: 10.1016/j.chembiol.2004.12.010
BindingDB Entry DOI: 10.7270/Q2P26WK5
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM59209
PNG
(Adenosine analog, 14)
Show SMILES Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCN |r|
Show InChI InChI=1S/C20H25N7O4/c1-11-4-2-3-5-12(11)8-23-17-13-18(25-9-24-17)27(10-26-13)20-15(29)14(28)16(31-20)19(30)22-7-6-21/h2-5,9-10,14-16,20,28-29H,6-8,21H2,1H3,(H,22,30)(H,23,24,25)/t14-,15+,16-,20+/m0/s1
PDB
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PC sid
UniChem

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Article
PubMed
>1.00E+5>-22.8n/an/an/an/an/a7.425



National Institutes of Health



Assay Description
Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell.


Chem Biol 12: 237-47 (2005)


Article DOI: 10.1016/j.chembiol.2004.12.010
BindingDB Entry DOI: 10.7270/Q2P26WK5
More data for this
Ligand-Target Pair