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PubMed code 19419868

Compile data set for download or QSAR
Found 7 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
P2Y purinoceptor 2


(Homo sapiens (Human))		BDBM2
PNG
(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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n/an/an/an/a 85n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells coexpressing phospholipase C-activating G protein assessed as inositol phosph...

Bioorg Med Chem Lett 19: 3002-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.027
BindingDB Entry DOI: 10.7270/Q20K28GT
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))		BDBM50258290
PNG
(1-[5,6-Dideoxy-6-[(hydroxypyrophosphoroxy)phosphon...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1C=CP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc(=O)[nH]c1=O |r,w:8.9|
Show InChI InChI=1S/C10H15N2O14P3/c13-6-1-3-12(10(16)11-6)9-8(15)7(14)5(24-9)2-4-27(17,18)25-29(22,23)26-28(19,20)21/h1-5,7-9,14-15H,(H,17,18)(H,22,23)(H,11,13,16)(H2,19,20,21)/t5-,7-,8-,9-/m1/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells coexpressing phospholipase C-activating G protein assessed as inositol phosph...

Bioorg Med Chem Lett 19: 3002-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.027
BindingDB Entry DOI: 10.7270/Q20K28GT
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))		BDBM50258289
PNG
(9-[5'-Deoxy-5'-[(hydroxypyrophosphoroxy)phosphinyl...)
Show SMILES O[C@@H]1[C@@H](CP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C9H15N2O14P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(23-8)3-26(16,17)24-28(21,22)25-27(18,19)20/h1-2,4,6-8,13-14H,3H2,(H,16,17)(H,21,22)(H,10,12,15)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1
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n/an/an/an/a 8.60E+3n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells coexpressing phospholipase C-activating G protein assessed as inositol phosph...

Bioorg Med Chem Lett 19: 3002-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.027
BindingDB Entry DOI: 10.7270/Q20K28GT
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))		BDBM50258291
PNG
(9-[5'-Deoxy-5'-[(hydroxyphosphoroxy)phosphinyl]-be...)
Show SMILES O[C@@H]1[C@@H](CP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C9H14N2O11P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(21-8)3-23(16,17)22-24(18,19)20/h1-2,4,6-8,13-14H,3H2,(H,16,17)(H,10,12,15)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1
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n/an/an/an/a 3.40E+3n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells coexpressing phospholipase C-activating G protein assessed as inositol phosph...

Bioorg Med Chem Lett 19: 3002-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.027
BindingDB Entry DOI: 10.7270/Q20K28GT
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))		BDBM50258427
PNG
(CHEMBL522015 | uridine5'-methylene-phosphonate)
Show SMILES O[C@@H]1[C@@H](CCP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H15N2O8P/c13-6-1-3-12(10(16)11-6)9-8(15)7(14)5(20-9)2-4-21(17,18)19/h1,3,5,7-9,14-15H,2,4H2,(H,11,13,16)(H2,17,18,19)/t5-,7-,8-,9-/m1/s1
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n/an/an/an/a 1.60E+3n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells coexpressing phospholipase C-activating G protein assessed as inositol phosph...

Bioorg Med Chem Lett 19: 3002-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.027
BindingDB Entry DOI: 10.7270/Q20K28GT
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50258291
PNG
(9-[5'-Deoxy-5'-[(hydroxyphosphoroxy)phosphinyl]-be...)
Show SMILES O[C@@H]1[C@@H](CP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C9H14N2O11P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(21-8)3-23(16,17)22-24(18,19)20/h1-2,4,6-8,13-14H,3H2,(H,16,17)(H,10,12,15)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1
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n/an/an/an/a 1.90E+3n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells coexpressing phospholipase C-activating G protein assessed as inositol phosph...

Bioorg Med Chem Lett 19: 3002-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.027
BindingDB Entry DOI: 10.7270/Q20K28GT
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))		BDBM50258288
PNG
(9-[5'-Deoxy-5'-[(hydroxypyrophosphoroxy)phosphinyl...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H16N5O12P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-28(18,19)26-30(23,24)27-29(20,21)22/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,23,24)(H2,11,12,13)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1
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n/an/an/an/a 1.40E+3n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells coexpressing phospholipase C-activating G protein assessed as inositol phosph...

Bioorg Med Chem Lett 19: 3002-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.027
BindingDB Entry DOI: 10.7270/Q20K28GT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%