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PubMed code 22873688

Compile data set for download or QSAR
Found 10 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 1


(Rattus norvegicus)		BDBM50398072
PNG
(CHEMBL2181943)
Show SMILES [BH3-][P@@](=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(SC)nc12)OP([O-])(=O)OP([O-])([O-])=O |r|
Show InChI InChI=1S/C11H20BN5O12P3S/c1-33-11-15-8(13)5-9(16-11)17(3-14-5)10-7(19)6(18)4(27-10)2-26-30(12,20)28-32(24,25)29-31(21,22)23/h3-4,6-7,10,18-19H,2H2,1,12H3,(H,24,25)(H2,13,15,16)(H2,21,22,23)/q-1/p-3/t4-,6-,7-,10-,30-/m1/s1
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n/an/an/an/a 2.60n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at rat P2Y1R expressed in HEK293 cells assessed as release of intracellular calcium by fluorescence based assay

J Med Chem 55: 7623-35 (2012)


Article DOI: 10.1021/jm3006355
BindingDB Entry DOI: 10.7270/Q2KK9CXT
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)		BDBM50398067
PNG
(CHEMBL2181940)
Show SMILES [BH3-][P@](=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(SC)nc12)OP([O-])([O-])=O |r|
Show InChI InChI=1S/C11H19BN5O9P2S/c1-29-11-15-8(13)5-9(16-11)17(3-14-5)10-7(19)6(18)4(25-10)2-24-27(12,20)26-28(21,22)23/h3-4,6-7,10,18-19H,2H2,1,12H3,(H2,13,15,16)(H2,21,22,23)/q-1/p-2/t4-,6-,7-,10-,27+/m1/s1
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n/an/an/an/a 1.10E+3n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at turkey P2Y1R expressed in 1321N1 cells assessed as increase in intracellular calcium concentration by spectrofluorimetry

J Med Chem 55: 7623-35 (2012)


Article DOI: 10.1021/jm3006355
BindingDB Entry DOI: 10.7270/Q2KK9CXT
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Rattus norvegicus)		BDBM50366480
PNG
(ADENOSINE TRIPHOSPHATE | ATP)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@@](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 200n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at rat P2Y1R expressed in HEK293 cells assessed as release of intracellular calcium by fluorescence based assay

J Med Chem 55: 7623-35 (2012)


Article DOI: 10.1021/jm3006355
BindingDB Entry DOI: 10.7270/Q2KK9CXT
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)		BDBM50398071
PNG
(CHEMBL2181939)
Show SMILES [BH3-][P@@](=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)OP([O-])([O-])=O |r|
Show InChI InChI=1S/C10H17BN5O9P2/c11-26(19,25-27(20,21)22)23-1-4-6(17)7(18)10(24-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1H2,11H3,(H2,12,13,14)(H2,20,21,22)/q-1/p-2/t4-,6-,7-,10-,26-/m1/s1
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n/an/an/an/a 220n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at turkey P2Y1R expressed in 1321N1 cells assessed as increase in intracellular calcium concentration by spectrofluorimetry

J Med Chem 55: 7623-35 (2012)


Article DOI: 10.1021/jm3006355
BindingDB Entry DOI: 10.7270/Q2KK9CXT
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Rattus norvegicus)		BDBM50398072
PNG
(CHEMBL2181943)
Show SMILES [BH3-][P@@](=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(SC)nc12)OP([O-])(=O)OP([O-])([O-])=O |r|
Show InChI InChI=1S/C11H20BN5O12P3S/c1-33-11-15-8(13)5-9(16-11)17(3-14-5)10-7(19)6(18)4(27-10)2-26-30(12,20)28-32(24,25)29-31(21,22)23/h3-4,6-7,10,18-19H,2H2,1,12H3,(H,24,25)(H2,13,15,16)(H2,21,22,23)/q-1/p-3/t4-,6-,7-,10-,30-/m1/s1
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n/an/an/an/a 28n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at rat P2Y1R assessed as glucose-dependent insulin secretion

J Med Chem 55: 7623-35 (2012)


Article DOI: 10.1021/jm3006355
BindingDB Entry DOI: 10.7270/Q2KK9CXT
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 2.5n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at turkey P2Y1R expressed in 1321N1 cells assessed as increase in intracellular calcium concentration by spectrofluorimetry

J Med Chem 55: 7623-35 (2012)


Article DOI: 10.1021/jm3006355
BindingDB Entry DOI: 10.7270/Q2KK9CXT
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)		BDBM50398069
PNG
(CHEMBL2181935)
Show SMILES [BH3-][P@](=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(SC)nc12)OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(SC)nc12 |r|
Show InChI InChI=1S/C22H33BN10O15P3S2/c1-52-21-28-15(24)9-17(30-21)32(5-26-9)19-13(36)11(34)7(45-19)3-43-49(23,38)47-51(41,42)48-50(39,40)44-4-8-12(35)14(37)20(46-8)33-6-27-10-16(25)29-22(53-2)31-18(10)33/h5-8,11-14,19-20,34-37H,3-4H2,1-2,23H3,(H,39,40)(H,41,42)(H2,24,28,30)(H2,25,29,31)/q-1/p-2/t7-,8-,11-,12-,13-,14-,19-,20-,49+/m1/s1
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n/an/an/an/a 190n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at turkey P2Y1R expressed in 1321N1 cells assessed as increase in intracellular calcium concentration by spectrofluorimetry

J Med Chem 55: 7623-35 (2012)


Article DOI: 10.1021/jm3006355
BindingDB Entry DOI: 10.7270/Q2KK9CXT
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)		BDBM50398068
PNG
(CHEMBL2181936)
Show SMILES [BH3-][P@@](=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(SC)nc12)OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(SC)nc12 |r|
Show InChI InChI=1S/C22H33BN10O15P3S2/c1-52-21-28-15(24)9-17(30-21)32(5-26-9)19-13(36)11(34)7(45-19)3-43-49(23,38)47-51(41,42)48-50(39,40)44-4-8-12(35)14(37)20(46-8)33-6-27-10-16(25)29-22(53-2)31-18(10)33/h5-8,11-14,19-20,34-37H,3-4H2,1-2,23H3,(H,39,40)(H,41,42)(H2,24,28,30)(H2,25,29,31)/q-1/p-2/t7-,8-,11-,12-,13-,14-,19-,20-,49-/m1/s1
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n/an/an/an/a 140n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at turkey P2Y1R expressed in 1321N1 cells assessed as increase in intracellular calcium concentration by spectrofluorimetry

J Med Chem 55: 7623-35 (2012)


Article DOI: 10.1021/jm3006355
BindingDB Entry DOI: 10.7270/Q2KK9CXT
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)		BDBM50398070
PNG
(CHEMBL2181938)
Show SMILES [BH3-][P@](=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)OP([O-])([O-])=O |r|
Show InChI InChI=1S/C10H17BN5O9P2/c11-26(19,25-27(20,21)22)23-1-4-6(17)7(18)10(24-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1H2,11H3,(H2,12,13,14)(H2,20,21,22)/q-1/p-2/t4-,6-,7-,10-,26+/m1/s1
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n/an/an/an/a 960n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at turkey P2Y1R expressed in 1321N1 cells assessed as increase in intracellular calcium concentration by spectrofluorimetry

J Med Chem 55: 7623-35 (2012)


Article DOI: 10.1021/jm3006355
BindingDB Entry DOI: 10.7270/Q2KK9CXT
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)		BDBM50398066
PNG
(CHEMBL2181941)
Show SMILES [BH3-][P@@](=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(SC)nc12)OP([O-])([O-])=O |r|
Show InChI InChI=1S/C11H19BN5O9P2S/c1-29-11-15-8(13)5-9(16-11)17(3-14-5)10-7(19)6(18)4(25-10)2-24-27(12,20)26-28(21,22)23/h3-4,6-7,10,18-19H,2H2,1,12H3,(H2,13,15,16)(H2,21,22,23)/q-1/p-2/t4-,6-,7-,10-,27-/m1/s1
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n/an/an/an/a 34n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at turkey P2Y1R expressed in 1321N1 cells assessed as increase in intracellular calcium concentration by spectrofluorimetry

J Med Chem 55: 7623-35 (2012)


Article DOI: 10.1021/jm3006355
BindingDB Entry DOI: 10.7270/Q2KK9CXT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%