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Compile Data Set for Download or QSAR

Found 167 hits of ec50 data for polymerid = 7673   
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


(Homo sapiens (Human))
BDBM50409523
PNG
(CHEMBL2112093)
Show SMILES CSc1nc(N)c2ncn([C@@H]3[C@H]4C[C@@]4(COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C13H19N5O9P2S/c1-30-12-16-10(14)6-11(17-12)18(4-15-6)7-5-2-13(5,9(20)8(7)19)3-26-29(24,25)27-28(21,22)23/h4-5,7-9,19-20H,2-3H2,1H3,(H,24,25)(H2,14,16,17)(H2,21,22,23)/t5-,7-,8+,9+,13-/m1/s1
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n/an/an/an/a 0.400n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Accumulation of inositol phosphate in 1321N1 astrocytoma cells expressing human P2Y1 purinoceptor


J Med Chem 45: 2090-100 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
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 1.30n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of wild-type P2Y1 receptors expressed in COS-7 cells for the accumulation of inositol phosphate


J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
P2Y purinoceptor 1


(Homo sapiens (Human))
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 1.60n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human S317A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...


J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50308552
PNG
((1'S,2'R,3'S,4'R,5'S)-4-(6-Amino-2-chloro-9H-purin...)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@]2(COP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C12H15ClN5O6P/c13-11-16-9(14)5-10(17-11)18(3-15-5)6-4-1-12(4,8(20)7(6)19)2-24-25(21,22)23/h3-4,6-8,19-20H,1-2H2,(H2,14,16,17)(H2,21,22,23)/t4-,6-,7+,8+,12-/m1/s1
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n/an/an/an/a 1.89n/an/an/an/a



National Institutes of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y1 receptor expressed in human 1321N1 cells by PLC assay


J Med Chem 53: 2562-76 (2010)


Article DOI: 10.1021/jm9018542
BindingDB Entry DOI: 10.7270/Q20C4VVG
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
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 1.90n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Compound was measured for the antagonism of the activation of phospholipase C in mutant(WT) human P2Y1 receptor.


J Med Chem 41: 1456-66 (1998)


Article DOI: 10.1021/jm970684u
BindingDB Entry DOI: 10.7270/Q2TM7BSC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
P2Y purinoceptor 1


(Homo sapiens (Human))
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 1.90n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Compound was measured for the antagonism of the activation of phospholipase C in mutant(S317A) human P2Y1 receptor.


J Med Chem 41: 1456-66 (1998)


Article DOI: 10.1021/jm970684u
BindingDB Entry DOI: 10.7270/Q2TM7BSC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
P2Y purinoceptor 1


(Homo sapiens (Human))
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 2.20n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of wild-type P2Y1 receptors expressed in COS-7 cells for the accumulation of inositol phosphate i...


J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
P2Y purinoceptor 1


(Homo sapiens (Human))
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 G-protein coupled P2Y1 receptor expressed in human 1321N1 cells assessed as increase in calcium by Fura2 assay


J Med Chem 53: 2472-81 (2010)


Article DOI: 10.1021/jm901621h
BindingDB Entry DOI: 10.7270/Q2DN4565
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
P2Y purinoceptor 1


(Homo sapiens (Human))
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



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Compound was measured for the antagonism of the activation of phospholipase C in mutant(T221A) human P2Y1 receptor.


J Med Chem 41: 1456-66 (1998)


Article DOI: 10.1021/jm970684u
BindingDB Entry DOI: 10.7270/Q2TM7BSC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
P2Y purinoceptor 1


(Homo sapiens (Human))
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



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human K196A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...


J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
P2Y purinoceptor 1


(Homo sapiens (Human))
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 2.60n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human R301A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...


J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50423774
PNG
(CHEMBL2309024)
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 P2Y1 receptor expressed in human HEK293 cells


J Med Chem 53: 2472-81 (2010)


Article DOI: 10.1021/jm901621h
BindingDB Entry DOI: 10.7270/Q2DN4565
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
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 3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration to activate wild-type P2Y1 receptor expressed in COS-7 cells for the accumulation of inositol phosphate


J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50112757
PNG
(CHEMBL66627 | triPhosphoric acid -[4-(6-amino-2-ch...)
Show SMILES Nc1nc(Cl)nc2n(cnc12)C1[C@H]2C[C@@]2(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(O)C1O
Show InChI InChI=1S/C12H17ClN5O12P3/c13-11-16-9(14)5-10(17-11)18(3-15-5)6-4-1-12(4,8(20)7(6)19)2-28-32(24,25)30-33(26,27)29-31(21,22)23/h3-4,6-8,19-20H,1-2H2,(H,24,25)(H,26,27)(H2,14,16,17)(H2,21,22,23)/t4-,6?,7?,8?,12-/m1/s1
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n/an/an/an/a 3n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Activation of Purinoceptor P2Y1-mediated phospholipase C in turkey erythrocyte membranes


J Med Chem 45: 2090-100 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
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 3.20n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human E209D mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...


J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
P2Y purinoceptor 1


(Homo sapiens (Human))
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 3.60n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human D208A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...


J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50112763
PNG
(CHEMBL303596 | triPhosphoric acid -[4-(6-amino-2-m...)
Show SMILES CSc1nc(N)c2ncn(C3[C@H]4C[C@@]4(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(O)C3O)c2n1
Show InChI InChI=1S/C13H20N5O12P3S/c1-34-12-16-10(14)6-11(17-12)18(4-15-6)7-5-2-13(5,9(20)8(7)19)3-28-32(24,25)30-33(26,27)29-31(21,22)23/h4-5,7-9,19-20H,2-3H2,1H3,(H,24,25)(H,26,27)(H2,14,16,17)(H2,21,22,23)/t5-,7?,8?,9?,13-/m1/s1
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n/an/an/an/a 3.70n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Activation of Purinoceptor P2Y1-mediated phospholipase C in turkey erythrocyte membranes


J Med Chem 45: 2090-100 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
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 3.90n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human D289A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...


J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
P2Y purinoceptor 1


(Homo sapiens (Human))
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 4.70n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human R195A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...


J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
P2Y purinoceptor 1


(Homo sapiens (Human))
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 4.90n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human E209R mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...


J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
P2Y purinoceptor 1


(Homo sapiens (Human))
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 5.90n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human K125A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...


J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50112767
PNG
(CHEMBL291608 | triPhosphoric acid -[2,3-dihydroxy-...)
Show SMILES CNc1nc(Cl)nc2n(cnc12)C1[C@H]2C[C@@]2(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(O)C1O
Show InChI InChI=1S/C13H19ClN5O12P3/c1-15-10-6-11(18-12(14)17-10)19(4-16-6)7-5-2-13(5,9(21)8(7)20)3-29-33(25,26)31-34(27,28)30-32(22,23)24/h4-5,7-9,20-21H,2-3H2,1H3,(H,25,26)(H,27,28)(H,15,17,18)(H2,22,23,24)/t5-,7?,8?,9?,13-/m1/s1
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n/an/an/an/a 6n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Activation of Purinoceptor P2Y1-mediated phospholipase C in turkey erythrocyte membranes


J Med Chem 45: 2090-100 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
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 6n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration to activate human Y273F mutant strain P2Y1 receptor expressed in COS-7 cells for the accumulation of inositol phosphate


J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
P2Y purinoceptor 1


(Homo sapiens (Human))
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 6.40n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Accumulation of inositol phosphate in 1321N1 astrocytoma cells expressing human P2Y1 purinoceptor


J Med Chem 45: 2090-100 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50112757
PNG
(CHEMBL66627 | triPhosphoric acid -[4-(6-amino-2-ch...)
Show SMILES Nc1nc(Cl)nc2n(cnc12)C1[C@H]2C[C@@]2(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(O)C1O
Show InChI InChI=1S/C12H17ClN5O12P3/c13-11-16-9(14)5-10(17-11)18(3-15-5)6-4-1-12(4,8(20)7(6)19)2-28-32(24,25)30-33(26,27)29-31(21,22)23/h3-4,6-8,19-20H,1-2H2,(H,24,25)(H,26,27)(H2,14,16,17)(H2,21,22,23)/t4-,6?,7?,8?,12-/m1/s1
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n/an/an/an/a 7n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Accumulation of inositol phosphate in 1321N1 astrocytoma cells expressing human P2Y1 purinoceptor


J Med Chem 45: 2090-100 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50435011
PNG
(CHEMBL2386491)
Show SMILES [BH3-][P@@](=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(Cl)nc12)OP(O)(O)=O |r|
Show InChI InChI=1S/C10H16BClN5O9P2/c11-27(20,26-28(21,22)23)24-1-3-5(18)6(19)9(25-3)17-2-14-4-7(13)15-10(12)16-8(4)17/h2-3,5-6,9,18-19H,1H2,11H3,(H2,13,15,16)(H2,21,22,23)/q-1/t3-,5-,6-,9-,27-/m1/s1
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n/an/an/an/a 7n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at human GFP-tagged P2Y1R transfected in human 1321N1 cells assessed as induction of intracellular calcium mobilization by fluoresce...


J Med Chem 56: 4938-52 (2013)


Article DOI: 10.1021/jm400197m
BindingDB Entry DOI: 10.7270/Q2Q52R0Q
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
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 7.80n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human R212A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...


J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
P2Y purinoceptor 1


(Homo sapiens (Human))
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 8.60n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human E209Q mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...


J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50112767
PNG
(CHEMBL291608 | triPhosphoric acid -[2,3-dihydroxy-...)
Show SMILES CNc1nc(Cl)nc2n(cnc12)C1[C@H]2C[C@@]2(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(O)C1O
Show InChI InChI=1S/C13H19ClN5O12P3/c1-15-10-6-11(18-12(14)17-10)19(4-16-6)7-5-2-13(5,9(21)8(7)20)3-29-33(25,26)31-34(27,28)30-32(22,23)24/h4-5,7-9,20-21H,2-3H2,1H3,(H,25,26)(H,27,28)(H,15,17,18)(H2,22,23,24)/t5-,7?,8?,9?,13-/m1/s1
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n/an/an/an/a 9n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Accumulation of inositol phosphate in 1321N1 astrocytoma cells expressing human P2Y1 purinoceptor


J Med Chem 45: 2090-100 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
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 9.20n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human R285A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...


J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
P2Y purinoceptor 1


(Homo sapiens (Human))
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 9.80n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human D300A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...


J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
P2Y purinoceptor 1


(Homo sapiens (Human))
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 10n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Compound was measured for the antagonism of the activation of phospholipase C in mutant(S314T) human P2Y1 receptor.


J Med Chem 41: 1456-66 (1998)


Article DOI: 10.1021/jm970684u
BindingDB Entry DOI: 10.7270/Q2TM7BSC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
P2Y purinoceptor 1


(Homo sapiens (Human))
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 10.3n/an/an/an/a



National Institutes of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Activation of human P2Y1 receptor expressed in human 1321N1 cells assessed as induction of calcium flux by FLIPR assay


J Med Chem 53: 2562-76 (2010)


Article DOI: 10.1021/jm9018542
BindingDB Entry DOI: 10.7270/Q20C4VVG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
P2Y purinoceptor 1


(Homo sapiens (Human))
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 11n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Compound was measured for the antagonism of the activation of phospholipase C in mutant(T222A) human P2Y1 receptor.


J Med Chem 41: 1456-66 (1998)


Article DOI: 10.1021/jm970684u
BindingDB Entry DOI: 10.7270/Q2TM7BSC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
P2Y purinoceptor 1


(Homo sapiens (Human))
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 11n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human T222A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...


J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
P2Y purinoceptor 1


(Homo sapiens (Human))
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 11n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Activity against human P2Y1-GFP expressed in 1321N1 cells by intracellular calcium increase


J Med Chem 49: 1980-90 (2006)


Article DOI: 10.1021/jm050955y
BindingDB Entry DOI: 10.7270/Q22J6CN3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50308336
PNG
(CHEMBL591905 | {[5-(6-amino-9H-purin-9-yl)-3,4-dih...)
Show SMILES Nc1ncnc2n(cnc12)[C@H]1O[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)n2cnc3c(N)ncnc23)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C20H27N10O16P3/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(43-19)1-41-47(35,36)45-49(39,40)46-48(37,38)42-2-8-12(32)14(34)20(44-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m0/s1
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n/an/an/an/a 11n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at G-protein coupled P2Y1 receptor expressed in human 1321N1 cells assessed as increase in calcium by Fura2 assay


J Med Chem 53: 2472-81 (2010)


Article DOI: 10.1021/jm901621h
BindingDB Entry DOI: 10.7270/Q2DN4565
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
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 12n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human S314T mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...


J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
P2Y purinoceptor 1


(Homo sapiens (Human))
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 12n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at P2Y1 receptor expressed in 1321N1 cells assessed as cytosolic calcium level


J Med Chem 50: 5600-7 (2007)


Article DOI: 10.1021/jm070043r
BindingDB Entry DOI: 10.7270/Q2445Q7Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
P2Y purinoceptor 1


(Homo sapiens (Human))
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 12n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Compound was measured for the antagonism of the activation of phospholipase C in mutant(Y136A) human P2Y1 receptor.


J Med Chem 41: 1456-66 (1998)


Article DOI: 10.1021/jm970684u
BindingDB Entry DOI: 10.7270/Q2TM7BSC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
P2Y purinoceptor 1


(Homo sapiens (Human))
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 12n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Compound was measured for the antagonism of the activation of phospholipase C in mutant(S317A) human P2Y1 receptor in presence of MRS2179


J Med Chem 41: 1456-66 (1998)


Article DOI: 10.1021/jm970684u
BindingDB Entry DOI: 10.7270/Q2TM7BSC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
P2Y purinoceptor 1


(Homo sapiens (Human))
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 12n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Compound was measured for the antagonism of the activation of phospholipase C in mutant(T221A) human P2Y1 receptor in presence of MRS2179 (P<0.005)


J Med Chem 41: 1456-66 (1998)


Article DOI: 10.1021/jm970684u
BindingDB Entry DOI: 10.7270/Q2TM7BSC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
P2Y purinoceptor 1


(Homo sapiens (Human))
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 13n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Compound was measured for the antagonism of the activation of phospholipase C in mutant(WT) human P2Y1 receptor in presence of MRS2179 (P<0.005)


J Med Chem 41: 1456-66 (1998)


Article DOI: 10.1021/jm970684u
BindingDB Entry DOI: 10.7270/Q2TM7BSC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
P2Y purinoceptor 1


(Homo sapiens (Human))
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 13n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human Y136A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...


J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
P2Y purinoceptor 1


(Homo sapiens (Human))
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 13n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at human GFP-tagged P2Y1R transfected in human 1321N1 cells assessed as induction of intracellular calcium mobilization by fluoresce...


J Med Chem 56: 4938-52 (2013)


Article DOI: 10.1021/jm400197m
BindingDB Entry DOI: 10.7270/Q2Q52R0Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
P2Y purinoceptor 1


(Homo sapiens (Human))
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 13n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at GFP-tagged human P2Y1R transfected in human 1321N1 cells assessed as increase in intracellular Ca2+ level by fura 2/AM probe-base...


J Med Chem 58: 8427-43 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00575
BindingDB Entry DOI: 10.7270/Q2736SRG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50112765
PNG
(CHEMBL302077 | triPhosphoric acid-[4-(6-amino-puri...)
Show SMILES Nc1ncnc2n(cnc12)C1C2CC2(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(O)C1O
Show InChI InChI=1S/C12H18N5O12P3/c13-10-6-11(15-3-14-10)17(4-16-6)7-5-1-12(5,9(19)8(7)18)2-27-31(23,24)29-32(25,26)28-30(20,21)22/h3-5,7-9,18-19H,1-2H2,(H,23,24)(H,25,26)(H2,13,14,15)(H2,20,21,22)
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n/an/an/an/a 14n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Activation of Purinoceptor P2Y1-mediated phospholipase C in turkey erythrocyte membranes


J Med Chem 45: 2090-100 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM31995
PNG
(ADP | Adenosine Diphosphate (ADP) | CHEMBL14830)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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n/an/an/an/a 14n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at G-protein coupled P2Y1 receptor expressed in human 1321N1 cells assessed as increase in calcium by Fura2 assay


J Med Chem 53: 2472-81 (2010)


Article DOI: 10.1021/jm901621h
BindingDB Entry DOI: 10.7270/Q2DN4565
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
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 15n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration to activate human Y306A mutant strain P2Y1 receptor expressed in COS-7 cells for the accumulation of inositol phosphate


J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
P2Y purinoceptor 1


(Homo sapiens (Human))
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
PDB

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antibodypedia
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CHEMBL
KEGG
PC cid
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PDB
Article
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n/an/an/an/a 16n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human T221A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...


J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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