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PubMed code 22107038

Compile data set for download or QSAR
Found 32 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 4


(Homo sapiens (Human))		BDBM50364066
PNG
(CHEMBL1950678)
Show SMILES [BH3-]P(=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)OP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C18H28BN4O22P4/c19-46(32,39-5-7-11(26)13(28)15(41-7)22-3-1-9(24)20-17(22)30)43-48(35,36)45-49(37,38)44-47(33,34)40-6-8-12(27)14(29)16(42-8)23-4-2-10(25)21-18(23)31/h1-4,7-8,11-16,26-29H,5-6H2,19H3,(H,33,34)(H,35,36)(H,37,38)(H,20,24,30)(H,21,25,31)/q-1/p-3/t7-,8-,11-,12-,13-,14-,15-,16-,46?/m1/s1
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n/an/an/an/a 9.40E+3n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y purinoceptor 4 expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by spectrofl...

J Med Chem 55: 437-48 (2012)


Article DOI: 10.1021/jm2013198
BindingDB Entry DOI: 10.7270/Q2Z60PJT
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Rattus norvegicus)		BDBM50364069
PNG
(CHEMBL1950673)
Show SMILES [BH3-]P(=O)(OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C19H29BN7O20P4/c20-48(34,45-49(35,36)41-3-8-12(30)14(32)18(44-8)27-6-24-10-15(21)22-5-23-16(10)27)46-51(39,40)47-50(37,38)42-4-7-11(29)13(31)17(43-7)26-2-1-9(28)25-19(26)33/h1-2,5-8,11-14,17-18,29-32H,3-4H2,20H3,(H,35,36)(H,37,38)(H,39,40)(H2,21,22,23)(H,25,28,33)/q-1/p-3/t7-,8-,11-,12-,13-,14-,17-,18-,48?/m1/s1
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n/an/an/an/a 1.29E+3n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at rat P2Y purinoceptor 6 expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by spectrofluo...

J Med Chem 55: 437-48 (2012)


Article DOI: 10.1021/jm2013198
BindingDB Entry DOI: 10.7270/Q2Z60PJT
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)		BDBM50364072
PNG
(CHEMBL1950677)
Show SMILES [BH3-]P(=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)OP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C20H30BN10O18P4/c21-50(36,43-1-7-11(32)13(34)19(45-7)30-5-28-9-15(22)24-3-26-17(9)30)47-52(39,40)49-53(41,42)48-51(37,38)44-2-8-12(33)14(35)20(46-8)31-6-29-10-16(23)25-4-27-18(10)31/h3-8,11-14,19-20,32-35H,1-2H2,21H3,(H,37,38)(H,39,40)(H,41,42)(H2,22,24,26)(H2,23,25,27)/q-1/p-3/t7-,8-,11-,12-,13-,14-,19-,20-,50?/m1/s1
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n/an/an/an/a 1.48E+3n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at turkey P2Y purinoceptor 1 expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by spectrof...

J Med Chem 55: 437-48 (2012)


Article DOI: 10.1021/jm2013198
BindingDB Entry DOI: 10.7270/Q2Z60PJT
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Rattus norvegicus)		BDBM50364065
PNG
(CHEMBL1950676)
Show SMILES [BH3-]P(=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C18H27BN4O19P3/c19-43(32,37-5-7-11(26)13(28)15(39-7)22-3-1-9(24)20-17(22)30)41-45(35,36)42-44(33,34)38-6-8-12(27)14(29)16(40-8)23-4-2-10(25)21-18(23)31/h1-4,7-8,11-16,26-29H,5-6H2,19H3,(H,33,34)(H,35,36)(H,20,24,30)(H,21,25,31)/q-1/p-2/t7-,8-,11-,12-,13-,14-,15-,16-,43?/m1/s1
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n/an/an/an/a 720n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at rat P2Y purinoceptor 6 expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by spectrofluo...

J Med Chem 55: 437-48 (2012)


Article DOI: 10.1021/jm2013198
BindingDB Entry DOI: 10.7270/Q2Z60PJT
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)		BDBM50364072
PNG
(CHEMBL1950677)
Show SMILES [BH3-]P(=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)OP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C20H30BN10O18P4/c21-50(36,43-1-7-11(32)13(34)19(45-7)30-5-28-9-15(22)24-3-26-17(9)30)47-52(39,40)49-53(41,42)48-51(37,38)44-2-8-12(33)14(35)20(46-8)31-6-29-10-16(23)25-4-27-18(10)31/h3-8,11-14,19-20,32-35H,1-2H2,21H3,(H,37,38)(H,39,40)(H,41,42)(H2,22,24,26)(H2,23,25,27)/q-1/p-3/t7-,8-,11-,12-,13-,14-,19-,20-,50?/m1/s1
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n/an/an/an/a 1.48E+3n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at turkey P2Y purinoceptor 1 expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by spectrof...

J Med Chem 55: 437-48 (2012)


Article DOI: 10.1021/jm2013198
BindingDB Entry DOI: 10.7270/Q2Z60PJT
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Rattus norvegicus)		BDBM50364070
PNG
(CHEMBL1950674)
Show SMILES [BH3-]P(=O)(OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C19H29BN7O20P4/c20-48(34,45-49(35,36)41-3-7-11(29)13(31)17(43-7)26-2-1-9(28)25-19(26)33)46-51(39,40)47-50(37,38)42-4-8-12(30)14(32)18(44-8)27-6-24-10-15(21)22-5-23-16(10)27/h1-2,5-8,11-14,17-18,29-32H,3-4H2,20H3,(H,35,36)(H,37,38)(H,39,40)(H2,21,22,23)(H,25,28,33)/q-1/p-3/t7-,8-,11-,12-,13-,14-,17-,18-,48?/m1/s1
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n/an/an/an/a 2.09E+4n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at rat P2Y purinoceptor 6 expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by spectrofluo...

J Med Chem 55: 437-48 (2012)


Article DOI: 10.1021/jm2013198
BindingDB Entry DOI: 10.7270/Q2Z60PJT
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Rattus norvegicus)		BDBM50118239
PNG
(CHEMBL130266 | UDP | Uridine diphosphate | uridine...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
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n/an/an/an/a 200n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at rat P2Y purinoceptor 6 expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by spectrofluo...

J Med Chem 55: 437-48 (2012)


Article DOI: 10.1021/jm2013198
BindingDB Entry DOI: 10.7270/Q2Z60PJT
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)		BDBM50118242
PNG
(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Show SMILES CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1 |r|
Show InChI InChI=1S/C11H17N5O10P2S/c1-29-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(25-10)2-24-28(22,23)26-27(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1
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n/an/an/an/a 4n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at turkey P2Y purinoceptor 1 expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by spectrof...

J Med Chem 55: 437-48 (2012)


Article DOI: 10.1021/jm2013198
BindingDB Entry DOI: 10.7270/Q2Z60PJT
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)		BDBM50364065
PNG
(CHEMBL1950676)
Show SMILES [BH3-]P(=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C18H27BN4O19P3/c19-43(32,37-5-7-11(26)13(28)15(39-7)22-3-1-9(24)20-17(22)30)41-45(35,36)42-44(33,34)38-6-8-12(27)14(29)16(40-8)23-4-2-10(25)21-18(23)31/h1-4,7-8,11-16,26-29H,5-6H2,19H3,(H,33,34)(H,35,36)(H,20,24,30)(H,21,25,31)/q-1/p-2/t7-,8-,11-,12-,13-,14-,15-,16-,43?/m1/s1
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n/an/an/an/a 4.40E+3n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at turkey P2Y purinoceptor 1 expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by spectrof...

J Med Chem 55: 437-48 (2012)


Article DOI: 10.1021/jm2013198
BindingDB Entry DOI: 10.7270/Q2Z60PJT
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))		BDBM50364069
PNG
(CHEMBL1950673)
Show SMILES [BH3-]P(=O)(OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C19H29BN7O20P4/c20-48(34,45-49(35,36)41-3-8-12(30)14(32)18(44-8)27-6-24-10-15(21)22-5-23-16(10)27)46-51(39,40)47-50(37,38)42-4-7-11(29)13(31)17(43-7)26-2-1-9(28)25-19(26)33/h1-2,5-8,11-14,17-18,29-32H,3-4H2,20H3,(H,35,36)(H,37,38)(H,39,40)(H2,21,22,23)(H,25,28,33)/q-1/p-3/t7-,8-,11-,12-,13-,14-,17-,18-,48?/m1/s1
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n/an/an/an/a 6.42E+4n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y purinoceptor 2 expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by spectrofl...

J Med Chem 55: 437-48 (2012)


Article DOI: 10.1021/jm2013198
BindingDB Entry DOI: 10.7270/Q2Z60PJT
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)		BDBM50364071
PNG
(CHEMBL1950675)
Show SMILES [BH3-]P(=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C20H29BN10O15P3/c21-47(36,41-1-7-11(32)13(34)19(43-7)30-5-28-9-15(22)24-3-26-17(9)30)45-49(39,40)46-48(37,38)42-2-8-12(33)14(35)20(44-8)31-6-29-10-16(23)25-4-27-18(10)31/h3-8,11-14,19-20,32-35H,1-2H2,21H3,(H,37,38)(H,39,40)(H2,22,24,26)(H2,23,25,27)/q-1/p-2/t7-,8-,11-,12-,13-,14-,19-,20-,47?/m1/s1
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n/an/an/an/a 800n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at turkey P2Y purinoceptor 1 expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by spectrof...

J Med Chem 55: 437-48 (2012)


Article DOI: 10.1021/jm2013198
BindingDB Entry DOI: 10.7270/Q2Z60PJT
More data for this
Ligand-Target Pair
P2Y purinoceptor 4


(Homo sapiens (Human))		BDBM50118213
PNG
(5'-UTP | CHEMBL336296 | H4utp | UTP | uridine 5'-(...)
Show SMILES O[C@@H]1[C@@H](COP(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/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
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n/an/an/an/a 480n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y purinoceptor 4 expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by spectrofl...

J Med Chem 55: 437-48 (2012)


Article DOI: 10.1021/jm2013198
BindingDB Entry DOI: 10.7270/Q2Z60PJT
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Rattus norvegicus)		BDBM50364066
PNG
(CHEMBL1950678)
Show SMILES [BH3-]P(=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)OP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C18H28BN4O22P4/c19-46(32,39-5-7-11(26)13(28)15(41-7)22-3-1-9(24)20-17(22)30)43-48(35,36)45-49(37,38)44-47(33,34)40-6-8-12(27)14(29)16(42-8)23-4-2-10(25)21-18(23)31/h1-4,7-8,11-16,26-29H,5-6H2,19H3,(H,33,34)(H,35,36)(H,37,38)(H,20,24,30)(H,21,25,31)/q-1/p-3/t7-,8-,11-,12-,13-,14-,15-,16-,46?/m1/s1
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n/an/an/an/a 3.61E+4n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at rat P2Y purinoceptor 6 expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by spectrofluo...

J Med Chem 55: 437-48 (2012)


Article DOI: 10.1021/jm2013198
BindingDB Entry DOI: 10.7270/Q2Z60PJT
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)		BDBM50184371
PNG
(CHEMBL218604 | [bis({[(2R,3S,4R,5R)-5-(6-amino-9H-...)
Show SMILES [BH3-]P(=O)(OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C20H29BN10O15P3/c21-47(36,45-48(37,38)41-1-7-11(32)13(34)19(43-7)30-5-28-9-15(22)24-3-26-17(9)30)46-49(39,40)42-2-8-12(33)14(35)20(44-8)31-6-29-10-16(23)25-4-27-18(10)31/h3-8,11-14,19-20,32-35H,1-2H2,21H3,(H,37,38)(H,39,40)(H2,22,24,26)(H2,23,25,27)/q-1/p-2/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
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n/an/an/an/a 900n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at turkey P2Y purinoceptor 1 expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by spectrof...

J Med Chem 55: 437-48 (2012)


Article DOI: 10.1021/jm2013198
BindingDB Entry DOI: 10.7270/Q2Z60PJT
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))		BDBM50205413
PNG
(CHEMBL221326 | P(1),P(4)-bis(uridin-5'-yl) tetraph...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C18H26N4O23P4/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(41-15)5-39-46(31,32)43-48(35,36)45-49(37,38)44-47(33,34)40-6-8-12(26)14(28)16(42-8)22-4-2-10(24)20-18(22)30/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,19,23,29)(H,20,24,30)/t7-,8-,11-,12-,13-,14-,15-,16-/m1/s1
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n/an/an/an/a 60n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y purinoceptor 2 expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by spectrofl...

J Med Chem 55: 437-48 (2012)


Article DOI: 10.1021/jm2013198
BindingDB Entry DOI: 10.7270/Q2Z60PJT
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Rattus norvegicus)		BDBM50364066
PNG
(CHEMBL1950678)
Show SMILES [BH3-]P(=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)OP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C18H28BN4O22P4/c19-46(32,39-5-7-11(26)13(28)15(41-7)22-3-1-9(24)20-17(22)30)43-48(35,36)45-49(37,38)44-47(33,34)40-6-8-12(27)14(29)16(42-8)23-4-2-10(25)21-18(23)31/h1-4,7-8,11-16,26-29H,5-6H2,19H3,(H,33,34)(H,35,36)(H,37,38)(H,20,24,30)(H,21,25,31)/q-1/p-3/t7-,8-,11-,12-,13-,14-,15-,16-,46?/m1/s1
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n/an/an/an/a 3.61E+4n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at rat P2Y purinoceptor 6 expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by spectrofluo...

J Med Chem 55: 437-48 (2012)


Article DOI: 10.1021/jm2013198
BindingDB Entry DOI: 10.7270/Q2Z60PJT
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))		BDBM50364066
PNG
(CHEMBL1950678)
Show SMILES [BH3-]P(=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)OP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C18H28BN4O22P4/c19-46(32,39-5-7-11(26)13(28)15(41-7)22-3-1-9(24)20-17(22)30)43-48(35,36)45-49(37,38)44-47(33,34)40-6-8-12(27)14(29)16(42-8)23-4-2-10(25)21-18(23)31/h1-4,7-8,11-16,26-29H,5-6H2,19H3,(H,33,34)(H,35,36)(H,37,38)(H,20,24,30)(H,21,25,31)/q-1/p-3/t7-,8-,11-,12-,13-,14-,15-,16-,46?/m1/s1
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n/an/an/an/a 2.46E+4n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y purinoceptor 2 expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by spectrofl...

J Med Chem 55: 437-48 (2012)


Article DOI: 10.1021/jm2013198
BindingDB Entry DOI: 10.7270/Q2Z60PJT
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Rattus norvegicus)		BDBM50364069
PNG
(CHEMBL1950673)
Show SMILES [BH3-]P(=O)(OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C19H29BN7O20P4/c20-48(34,45-49(35,36)41-3-8-12(30)14(32)18(44-8)27-6-24-10-15(21)22-5-23-16(10)27)46-51(39,40)47-50(37,38)42-4-7-11(29)13(31)17(43-7)26-2-1-9(28)25-19(26)33/h1-2,5-8,11-14,17-18,29-32H,3-4H2,20H3,(H,35,36)(H,37,38)(H,39,40)(H2,21,22,23)(H,25,28,33)/q-1/p-3/t7-,8-,11-,12-,13-,14-,17-,18-,48?/m1/s1
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n/an/an/an/a 1.29E+3n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at rat P2Y purinoceptor 6 expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by spectrofluo...

J Med Chem 55: 437-48 (2012)


Article DOI: 10.1021/jm2013198
BindingDB Entry DOI: 10.7270/Q2Z60PJT
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)		BDBM50364068
PNG
(CHEMBL1950671)
Show SMILES [BH3-]P(=O)(OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C20H30BN10O18P4/c21-50(36,47-51(37,38)43-1-7-11(32)13(34)19(45-7)30-5-28-9-15(22)24-3-26-17(9)30)48-53(41,42)49-52(39,40)44-2-8-12(33)14(35)20(46-8)31-6-29-10-16(23)25-4-27-18(10)31/h3-8,11-14,19-20,32-35H,1-2H2,21H3,(H,37,38)(H,39,40)(H,41,42)(H2,22,24,26)(H2,23,25,27)/q-1/p-3/t7-,8-,11-,12-,13-,14-,19-,20-,50?/m1/s1
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n/an/an/an/a 3.00E+3n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at turkey P2Y purinoceptor 1 expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by spectrof...

J Med Chem 55: 437-48 (2012)


Article DOI: 10.1021/jm2013198
BindingDB Entry DOI: 10.7270/Q2Z60PJT
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Rattus norvegicus)		BDBM50364065
PNG
(CHEMBL1950676)
Show SMILES [BH3-]P(=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C18H27BN4O19P3/c19-43(32,37-5-7-11(26)13(28)15(39-7)22-3-1-9(24)20-17(22)30)41-45(35,36)42-44(33,34)38-6-8-12(27)14(29)16(40-8)23-4-2-10(25)21-18(23)31/h1-4,7-8,11-16,26-29H,5-6H2,19H3,(H,33,34)(H,35,36)(H,20,24,30)(H,21,25,31)/q-1/p-2/t7-,8-,11-,12-,13-,14-,15-,16-,43?/m1/s1
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n/an/an/an/a 720n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at rat P2Y purinoceptor 6 expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by spectrofluo...

J Med Chem 55: 437-48 (2012)


Article DOI: 10.1021/jm2013198
BindingDB Entry DOI: 10.7270/Q2Z60PJT
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Rattus norvegicus)		BDBM50364073
PNG
(CHEMBL1950672)
Show SMILES [BH3-]P(=O)(OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C18H28BN4O22P4/c19-46(32,43-47(33,34)39-5-7-11(26)13(28)15(41-7)22-3-1-9(24)20-17(22)30)44-49(37,38)45-48(35,36)40-6-8-12(27)14(29)16(42-8)23-4-2-10(25)21-18(23)31/h1-4,7-8,11-16,26-29H,5-6H2,19H3,(H,33,34)(H,35,36)(H,37,38)(H,20,24,30)(H,21,25,31)/q-1/p-3/t7-,8-,11-,12-,13-,14-,15-,16-,46?/m1/s1
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n/an/an/an/a 1.93E+3n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at rat P2Y purinoceptor 6 expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by spectrofluo...

J Med Chem 55: 437-48 (2012)


Article DOI: 10.1021/jm2013198
BindingDB Entry DOI: 10.7270/Q2Z60PJT
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)		BDBM50364068
PNG
(CHEMBL1950671)
Show SMILES [BH3-]P(=O)(OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C20H30BN10O18P4/c21-50(36,47-51(37,38)43-1-7-11(32)13(34)19(45-7)30-5-28-9-15(22)24-3-26-17(9)30)48-53(41,42)49-52(39,40)44-2-8-12(33)14(35)20(46-8)31-6-29-10-16(23)25-4-27-18(10)31/h3-8,11-14,19-20,32-35H,1-2H2,21H3,(H,37,38)(H,39,40)(H,41,42)(H2,22,24,26)(H2,23,25,27)/q-1/p-3/t7-,8-,11-,12-,13-,14-,19-,20-,50?/m1/s1
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n/an/an/an/a 3.00E+3n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at turkey P2Y purinoceptor 1 expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by spectrof...

J Med Chem 55: 437-48 (2012)


Article DOI: 10.1021/jm2013198
BindingDB Entry DOI: 10.7270/Q2Z60PJT
More data for this
Ligand-Target Pair
P2Y purinoceptor 4


(Homo sapiens (Human))		BDBM50364066
PNG
(CHEMBL1950678)
Show SMILES [BH3-]P(=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)OP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C18H28BN4O22P4/c19-46(32,39-5-7-11(26)13(28)15(41-7)22-3-1-9(24)20-17(22)30)43-48(35,36)45-49(37,38)44-47(33,34)40-6-8-12(27)14(29)16(42-8)23-4-2-10(25)21-18(23)31/h1-4,7-8,11-16,26-29H,5-6H2,19H3,(H,33,34)(H,35,36)(H,37,38)(H,20,24,30)(H,21,25,31)/q-1/p-3/t7-,8-,11-,12-,13-,14-,15-,16-,46?/m1/s1
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n/an/an/an/a 9.40E+3n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y purinoceptor 4 expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by spectrofl...

J Med Chem 55: 437-48 (2012)


Article DOI: 10.1021/jm2013198
BindingDB Entry DOI: 10.7270/Q2Z60PJT
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Rattus norvegicus)		BDBM50364073
PNG
(CHEMBL1950672)
Show SMILES [BH3-]P(=O)(OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C18H28BN4O22P4/c19-46(32,43-47(33,34)39-5-7-11(26)13(28)15(41-7)22-3-1-9(24)20-17(22)30)44-49(37,38)45-48(35,36)40-6-8-12(27)14(29)16(42-8)23-4-2-10(25)21-18(23)31/h1-4,7-8,11-16,26-29H,5-6H2,19H3,(H,33,34)(H,35,36)(H,37,38)(H,20,24,30)(H,21,25,31)/q-1/p-3/t7-,8-,11-,12-,13-,14-,15-,16-,46?/m1/s1
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n/an/an/an/a 1.93E+3n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at rat P2Y purinoceptor 6 expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by spectrofluo...

J Med Chem 55: 437-48 (2012)


Article DOI: 10.1021/jm2013198
BindingDB Entry DOI: 10.7270/Q2Z60PJT
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Rattus norvegicus)		BDBM50364070
PNG
(CHEMBL1950674)
Show SMILES [BH3-]P(=O)(OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C19H29BN7O20P4/c20-48(34,45-49(35,36)41-3-7-11(29)13(31)17(43-7)26-2-1-9(28)25-19(26)33)46-51(39,40)47-50(37,38)42-4-8-12(30)14(32)18(44-8)27-6-24-10-15(21)22-5-23-16(10)27/h1-2,5-8,11-14,17-18,29-32H,3-4H2,20H3,(H,35,36)(H,37,38)(H,39,40)(H2,21,22,23)(H,25,28,33)/q-1/p-3/t7-,8-,11-,12-,13-,14-,17-,18-,48?/m1/s1
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n/an/an/an/a 2.09E+4n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at rat P2Y purinoceptor 6 expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by spectrofluo...

J Med Chem 55: 437-48 (2012)


Article DOI: 10.1021/jm2013198
BindingDB Entry DOI: 10.7270/Q2Z60PJT
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)		BDBM50364069
PNG
(CHEMBL1950673)
Show SMILES [BH3-]P(=O)(OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C19H29BN7O20P4/c20-48(34,45-49(35,36)41-3-8-12(30)14(32)18(44-8)27-6-24-10-15(21)22-5-23-16(10)27)46-51(39,40)47-50(37,38)42-4-7-11(29)13(31)17(43-7)26-2-1-9(28)25-19(26)33/h1-2,5-8,11-14,17-18,29-32H,3-4H2,20H3,(H,35,36)(H,37,38)(H,39,40)(H2,21,22,23)(H,25,28,33)/q-1/p-3/t7-,8-,11-,12-,13-,14-,17-,18-,48?/m1/s1
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n/an/an/an/a 6.90E+3n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at turkey P2Y purinoceptor 1 expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by spectrof...

J Med Chem 55: 437-48 (2012)


Article DOI: 10.1021/jm2013198
BindingDB Entry DOI: 10.7270/Q2Z60PJT
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))		BDBM50364072
PNG
(CHEMBL1950677)
Show SMILES [BH3-]P(=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)OP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C20H30BN10O18P4/c21-50(36,43-1-7-11(32)13(34)19(45-7)30-5-28-9-15(22)24-3-26-17(9)30)47-52(39,40)49-53(41,42)48-51(37,38)44-2-8-12(33)14(35)20(46-8)31-6-29-10-16(23)25-4-27-18(10)31/h3-8,11-14,19-20,32-35H,1-2H2,21H3,(H,37,38)(H,39,40)(H,41,42)(H2,22,24,26)(H2,23,25,27)/q-1/p-3/t7-,8-,11-,12-,13-,14-,19-,20-,50?/m1/s1
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n/an/an/an/a 2.59E+4n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y purinoceptor 2 expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by spectrofl...

J Med Chem 55: 437-48 (2012)


Article DOI: 10.1021/jm2013198
BindingDB Entry DOI: 10.7270/Q2Z60PJT
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))		BDBM50118213
PNG
(5'-UTP | CHEMBL336296 | H4utp | UTP | uridine 5'-(...)
Show SMILES O[C@@H]1[C@@H](COP(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/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
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n/an/an/an/a 640n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y purinoceptor 2 expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by spectrofl...

J Med Chem 55: 437-48 (2012)


Article DOI: 10.1021/jm2013198
BindingDB Entry DOI: 10.7270/Q2Z60PJT
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))		BDBM50364072
PNG
(CHEMBL1950677)
Show SMILES [BH3-]P(=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)OP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C20H30BN10O18P4/c21-50(36,43-1-7-11(32)13(34)19(45-7)30-5-28-9-15(22)24-3-26-17(9)30)47-52(39,40)49-53(41,42)48-51(37,38)44-2-8-12(33)14(35)20(46-8)31-6-29-10-16(23)25-4-27-18(10)31/h3-8,11-14,19-20,32-35H,1-2H2,21H3,(H,37,38)(H,39,40)(H,41,42)(H2,22,24,26)(H2,23,25,27)/q-1/p-3/t7-,8-,11-,12-,13-,14-,19-,20-,50?/m1/s1
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n/an/an/an/a 2.59E+4n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y purinoceptor 2 expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by spectrofl...

J Med Chem 55: 437-48 (2012)


Article DOI: 10.1021/jm2013198
BindingDB Entry DOI: 10.7270/Q2Z60PJT
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)		BDBM50364070
PNG
(CHEMBL1950674)
Show SMILES [BH3-]P(=O)(OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C19H29BN7O20P4/c20-48(34,45-49(35,36)41-3-7-11(29)13(31)17(43-7)26-2-1-9(28)25-19(26)33)46-51(39,40)47-50(37,38)42-4-8-12(30)14(32)18(44-8)27-6-24-10-15(21)22-5-23-16(10)27/h1-2,5-8,11-14,17-18,29-32H,3-4H2,20H3,(H,35,36)(H,37,38)(H,39,40)(H2,21,22,23)(H,25,28,33)/q-1/p-3/t7-,8-,11-,12-,13-,14-,17-,18-,48?/m1/s1
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n/an/an/an/a 500n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at turkey P2Y purinoceptor 1 expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by spectrof...

J Med Chem 55: 437-48 (2012)


Article DOI: 10.1021/jm2013198
BindingDB Entry DOI: 10.7270/Q2Z60PJT
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)		BDBM50364071
PNG
(CHEMBL1950675)
Show SMILES [BH3-]P(=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C20H29BN10O15P3/c21-47(36,41-1-7-11(32)13(34)19(43-7)30-5-28-9-15(22)24-3-26-17(9)30)45-49(39,40)46-48(37,38)42-2-8-12(33)14(35)20(44-8)31-6-29-10-16(23)25-4-27-18(10)31/h3-8,11-14,19-20,32-35H,1-2H2,21H3,(H,37,38)(H,39,40)(H2,22,24,26)(H2,23,25,27)/q-1/p-2/t7-,8-,11-,12-,13-,14-,19-,20-,47?/m1/s1
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n/an/an/an/a 800n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at turkey P2Y purinoceptor 1 expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by spectrof...

J Med Chem 55: 437-48 (2012)


Article DOI: 10.1021/jm2013198
BindingDB Entry DOI: 10.7270/Q2Z60PJT
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)		BDBM50364070
PNG
(CHEMBL1950674)
Show SMILES [BH3-]P(=O)(OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C19H29BN7O20P4/c20-48(34,45-49(35,36)41-3-7-11(29)13(31)17(43-7)26-2-1-9(28)25-19(26)33)46-51(39,40)47-50(37,38)42-4-8-12(30)14(32)18(44-8)27-6-24-10-15(21)22-5-23-16(10)27/h1-2,5-8,11-14,17-18,29-32H,3-4H2,20H3,(H,35,36)(H,37,38)(H,39,40)(H2,21,22,23)(H,25,28,33)/q-1/p-3/t7-,8-,11-,12-,13-,14-,17-,18-,48?/m1/s1
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n/an/an/an/a 500n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at turkey P2Y purinoceptor 1 expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by spectrof...

J Med Chem 55: 437-48 (2012)


Article DOI: 10.1021/jm2013198
BindingDB Entry DOI: 10.7270/Q2Z60PJT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%