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Compile Data Set for Download or QSAR

Found 110 hits of ec50 for UniProtKB: P49652   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50118235
PNG
(Brilliant Blue | CHEMBL423337)
Show SMILES CCOc1ccc(Nc2ccc(cc2)[C+](c2ccc(cc2C)N(CC)Cc2cccc(c2)S([O-])(=O)=O)c2ccc(cc2C)N(CC)Cc2cccc(c2)S([O-])(=O)=O)cc1
Show InChI InChI=1S/C47H49N3O7S2/c1-6-49(31-35-11-9-13-43(29-35)58(51,52)53)40-21-25-45(33(4)27-40)47(37-15-17-38(18-16-37)48-39-19-23-42(24-20-39)57-8-3)46-26-22-41(28-34(46)5)50(7-2)32-36-12-10-14-44(30-36)59(54,55)56/h9-30,48H,6-8,31-32H2,1-5H3,(H-,51,52,53,54,55,56)/p-1
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n/an/an/an/a 0.100n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Evaluated for agonist activity against phospholipase C coupled P2Y purinoceptor 1 (P2Y1) of turkey erythrocytes


J Med Chem 45: 4057-93 (2002)


BindingDB Entry DOI: 10.7270/Q2VX0H71
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
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 0.880n/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


(Meleagris gallopavo)
BDBM50118226
PNG
(CHEMBL337062 | PAPET-ATP)
Show SMILES Nc1ccc(CCSc2nc(N)c3ncn([C@@H]4O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]4O)c3n2)cc1
Show InChI InChI=1S/C18H25N6O13P3S/c19-10-3-1-9(2-4-10)5-6-41-18-22-15(20)12-16(23-18)24(8-21-12)17-14(26)13(25)11(35-17)7-34-39(30,31)37-40(32,33)36-38(27,28)29/h1-4,8,11,13-14,17,25-26H,5-7,19H2,(H,30,31)(H,32,33)(H2,20,22,23)(H2,27,28,29)/t11-,13-,14-,17-/m1/s1
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n/an/an/an/a 1.5n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Evaluated for agonist activity against phospholipase C coupled P2Y purinoceptor 1 (P2Y1) of turkey erythrocytes


J Med Chem 45: 4057-93 (2002)


BindingDB Entry DOI: 10.7270/Q2VX0H71
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 P2Y1 receptor expressed in human 132N1 receptor assessed as induction of intracellular calcium mobilization


J Med Chem 53: 3305-19 (2010)


Article DOI: 10.1021/jm100030u
BindingDB Entry DOI: 10.7270/Q2CV4HW1
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)
BDBM50076474
PNG
(CHEMBL416252 | Phosphoric acid mono-[5-(6-amino-pu...)
Show SMILES Nc1ncnc2n(cnc12)C1COC(COP(O)(O)=O)C(C1)OP(O)(O)=O
Show InChI InChI=1S/C11H17N5O9P2/c12-10-9-11(14-4-13-10)16(5-15-9)6-1-7(25-27(20,21)22)8(23-2-6)3-24-26(17,18)19/h4-8H,1-3H2,(H2,12,13,14)(H2,17,18,19)(H2,20,21,22)
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n/an/an/an/a 3n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Evaluated for agonist activity against phospholipase C coupled P2Y purinoceptor 1 (P2Y1) of turkey erythrocytes


J Med Chem 45: 4057-93 (2002)


BindingDB Entry DOI: 10.7270/Q2VX0H71
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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Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at turkey P2Y1 receptor expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by dual-excitati...


Eur J Med Chem 44: 1525-36 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.015
BindingDB Entry DOI: 10.7270/Q2W37X7P
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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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)
BDBM50118243
PNG
(CHEMBL334823 | MRS 2191)
Show SMILES Cc1nc(N=Nc2cc(ccc2Cl)S(O)(=O)=O)c(COP(O)(O)=O)c(C=O)c1O |w:4.3|
Show InChI InChI=1S/C14H13ClN3O9PS/c1-7-13(20)9(5-19)10(6-27-28(21,22)23)14(16-7)18-17-12-4-8(29(24,25)26)2-3-11(12)15/h2-5,20H,6H2,1H3,(H2,21,22,23)(H,24,25,26)
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n/an/an/an/a 4.40n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Evaluated for agonist activity against phospholipase C coupled P2Y purinoceptor 1 (P2Y1) of turkey erythrocytes


J Med Chem 45: 4057-93 (2002)


BindingDB Entry DOI: 10.7270/Q2VX0H71
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50118240
PNG
(((2R,3S,4R,5R)-5-(6-amino-2-(hexylthio)-9H-purin-9...)
Show SMILES CCCCCCSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H26N5O7PS/c1-2-3-4-5-6-30-16-19-13(17)10-14(20-16)21(8-18-10)15-12(23)11(22)9(28-15)7-27-29(24,25)26/h8-9,11-12,15,22-23H,2-7H2,1H3,(H2,17,19,20)(H2,24,25,26)/t9-,11-,12-,15-/m1/s1
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n/an/an/an/a 4.80n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Evaluated for agonist activity against phospholipase C coupled P2Y purinoceptor 1 (P2Y1) of turkey erythrocytes


J Med Chem 45: 4057-93 (2002)


BindingDB Entry DOI: 10.7270/Q2VX0H71
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 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


(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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National Institute of Diabetes

Curated by ChEMBL


Assay Description
Evaluated for agonist activity against phospholipase C coupled P2Y purinoceptor 1 (P2Y1) of turkey erythrocytes


J Med Chem 45: 4057-93 (2002)


BindingDB Entry DOI: 10.7270/Q2VX0H71
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50118232
PNG
(2-MeSATP | ATP, 2-meS | CHEMBL336208)
Show SMILES CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C11H18N5O13P3S/c1-33-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(27-10)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1
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n/an/an/an/a 8n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Evaluated for agonist activity against phospholipase C coupled P2Y purinoceptor 1 (P2Y1) of turkey erythrocytes


J Med Chem 45: 4057-93 (2002)


BindingDB Entry DOI: 10.7270/Q2VX0H71
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50118232
PNG
(2-MeSATP | ATP, 2-meS | CHEMBL336208)
Show SMILES CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C11H18N5O13P3S/c1-33-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(27-10)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1
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n/an/an/an/a 8n/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


(Meleagris gallopavo)
BDBM50369452
PNG
(CHEMBL611285)
Show SMILES CCCCCCSc1nc(N)c2ncn(C3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1 |r|
Show InChI InChI=1S/C16H28N5O13P3S/c1-2-3-4-5-6-38-16-19-13(17)10-14(20-16)21(8-18-10)15-12(23)11(22)9(32-15)7-31-36(27,28)34-37(29,30)33-35(24,25)26/h8-9,11-12,15,22-23H,2-7H2,1H3,(H,27,28)(H,29,30)(H2,17,19,20)(H2,24,25,26)/t9-,11-,12-,15?/m1/s1
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n/an/an/an/a 10n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonistic activity for P2Y purinoceptor 1 of turkey erythrocyte membranes


J Med Chem 42: 3636-46 (1999)


Article DOI: 10.1021/jm990158y
BindingDB Entry DOI: 10.7270/Q2G73FD8
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50369449
PNG
(CHEMBL608639)
Show SMILES Nc1nc(SCCc2ccc(cc2)[N+]([O-])=O)nc2n(cnc12)C1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C18H23N6O15P3S/c19-15-12-16(22-18(21-15)43-6-5-9-1-3-10(4-2-9)24(27)28)23(8-20-12)17-14(26)13(25)11(37-17)7-36-41(32,33)39-42(34,35)38-40(29,30)31/h1-4,8,11,13-14,17,25-26H,5-7H2,(H,32,33)(H,34,35)(H2,19,21,22)(H2,29,30,31)/t11-,13-,14-,17?/m1/s1
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n/an/an/an/a 12n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonistic activity for P2Y purinoceptor 1 of turkey erythrocyte membranes


J Med Chem 42: 3636-46 (1999)


Article DOI: 10.1021/jm990158y
BindingDB Entry DOI: 10.7270/Q2G73FD8
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50422304
PNG
(CHEMBL2364567)
Show SMILES CCCCSc1nc(N)c2ncn([C@@H]3O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]3O)c2n1 |r|
Show InChI InChI=1S/C14H24N5O13P3S/c1-2-3-4-36-14-17-11(15)8-12(18-14)19(6-16-8)13-10(21)9(20)7(30-13)5-29-34(25,26)32-35(27,28)31-33(22,23)24/h6-7,9-10,13,20-21H,2-5H2,1H3,(H,25,26)(H,27,28)(H2,15,17,18)(H2,22,23,24)/p-4/t7-,9-,10-,13-/m1/s1
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n/an/an/an/a 18n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Compounds was tested for its ability to stimulate phospholipase C activity at the P2Y purinoceptor 1 in turkey erythrocyte membranes.


J Med Chem 42: 5325-37 (2000)


BindingDB Entry DOI: 10.7270/Q2V988S4
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50076466
PNG
(2-(6-Methylamino-purin-9-yl)-5,7,9,11-tetraoxo-tet...)
Show SMILES CNc1ncnc2n(cnc12)C1CC2OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OCC2O1
Show InChI InChI=1S/C11H17N5O14P4/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6-7(26-8)3-25-31(17,18)28-33(21,22)30-34(23,24)29-32(19,20)27-6/h4-8H,2-3H2,1H3,(H,17,18)(H,19,20)(H,21,22)(H,23,24)(H,12,13,14)
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n/an/an/an/a 20n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Concentration at which 50% of the maximal effect (stimulation of PLC at P2Y1 receptor in the turkey erythrocyte membranes) is reached


J Med Chem 42: 1625-38 (1999)


Article DOI: 10.1021/jm980657j
BindingDB Entry DOI: 10.7270/Q28C9WZM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50408723
PNG
(CHEMBL2092793)
Show SMILES CCCCCCSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=S)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1 |r|
Show InChI InChI=1S/C16H28N5O12P3S2/c1-2-3-4-5-6-38-16-19-13(17)10-14(20-16)21(8-18-10)15-12(23)11(22)9(31-15)7-30-36(29,37)33-35(27,28)32-34(24,25)26/h8-9,11-12,15,22-23H,2-7H2,1H3,(H,27,28)(H,29,37)(H2,17,19,20)(H2,24,25,26)/t9-,11-,12-,15-,36?/m1/s1
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n/an/an/an/a 21n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonistic activity for P2Y purinoceptor 1 of turkey erythrocyte membranes


J Med Chem 42: 3636-46 (1999)


Article DOI: 10.1021/jm990158y
BindingDB Entry DOI: 10.7270/Q2G73FD8
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50408723
PNG
(CHEMBL2092793)
Show SMILES CCCCCCSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=S)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1 |r|
Show InChI InChI=1S/C16H28N5O12P3S2/c1-2-3-4-5-6-38-16-19-13(17)10-14(20-16)21(8-18-10)15-12(23)11(22)9(31-15)7-30-36(29,37)33-35(27,28)32-34(24,25)26/h8-9,11-12,15,22-23H,2-7H2,1H3,(H,27,28)(H,29,37)(H2,17,19,20)(H2,24,25,26)/t9-,11-,12-,15-,36?/m1/s1
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n/an/an/an/a 21n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonistic activity for P2Y purinoceptor 1 of turkey erythrocyte membranes


J Med Chem 42: 3636-46 (1999)


Article DOI: 10.1021/jm990158y
BindingDB Entry DOI: 10.7270/Q2G73FD8
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
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50409524
PNG
(CHEMBL2112091)
Show SMILES CS(=O)c1nc(N)c2ncn([C@@H]3[C@H]4C[C@@]4(COP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C13H18N5O7PS/c1-27(24)12-16-10(14)6-11(17-12)18(4-15-6)7-5-2-13(5,9(20)8(7)19)3-25-26(21,22)23/h4-5,7-9,19-20H,2-3H2,1H3,(H2,14,16,17)(H2,21,22,23)/t5-,7-,8+,9+,13-,27?/m1/s1
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n/an/an/an/a 36.6n/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


(Meleagris gallopavo)
BDBM50422302
PNG
(CHEMBL2364568)
Show SMILES CCCCNc1nc(N)c2ncn([C@@H]3O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]3O)c2n1 |r|
Show InChI InChI=1S/C14H25N6O13P3/c1-2-3-4-16-14-18-11(15)8-12(19-14)20(6-17-8)13-10(22)9(21)7(31-13)5-30-35(26,27)33-36(28,29)32-34(23,24)25/h6-7,9-10,13,21-22H,2-5H2,1H3,(H,26,27)(H,28,29)(H2,23,24,25)(H3,15,16,18,19)/p-4/t7-,9-,10-,13-/m1/s1
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n/an/an/an/a 39n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Compounds was tested for its ability to stimulate phospholipase C activity at the P2Y purinoceptor 1 in turkey erythrocyte membranes.


J Med Chem 42: 5325-37 (2000)


BindingDB Entry DOI: 10.7270/Q2V988S4
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50026893
PNG
(CHEMBL3085531)
Show SMILES CNc1nc(Cl)nc2n(cnc12)[C@H]1C[C@@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12
Show InChI InChI=1S/C13H18ClN5O8P2/c1-15-10-9-11(18-12(14)17-10)19(5-16-9)7-2-8(27-29(23,24)25)13(3-6(7)13)4-26-28(20,21)22/h5-8H,2-4H2,1H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t6-,7+,8-,13+/m1/s1
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n/an/an/an/a 52n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Evaluated for agonist activity against phospholipase C coupled P2Y purinoceptor 1 (P2Y1) of turkey erythrocytes


J Med Chem 45: 4057-93 (2002)


BindingDB Entry DOI: 10.7270/Q2VX0H71
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50118240
PNG
(((2R,3S,4R,5R)-5-(6-amino-2-(hexylthio)-9H-purin-9...)
Show SMILES CCCCCCSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H26N5O7PS/c1-2-3-4-5-6-30-16-19-13(17)10-14(20-16)21(8-18-10)15-12(23)11(22)9(28-15)7-27-29(24,25)26/h8-9,11-12,15,22-23H,2-7H2,1H3,(H2,17,19,20)(H2,24,25,26)/t9-,11-,12-,15-/m1/s1
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n/an/an/an/a 60n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonistic activity for P2Y purinoceptor 1 of turkey erythrocyte membranes


J Med Chem 42: 3636-46 (1999)


Article DOI: 10.1021/jm990158y
BindingDB Entry DOI: 10.7270/Q2G73FD8
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50268012
PNG
({[({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9...)
Show SMILES CSc1nc(N)c2ncn([C@@H]3O[C@H](COP([O-])(=O)OP([O-])(=O)CP([O-])([O-])=O)[C@@H](O)[C@H]3O)c2n1 |r|
Show InChI InChI=1S/C12H20N5O12P3S/c1-33-12-15-9(13)6-10(16-12)17(3-14-6)11-8(19)7(18)5(28-11)2-27-32(25,26)29-31(23,24)4-30(20,21)22/h3,5,7-8,11,18-19H,2,4H2,1H3,(H,23,24)(H,25,26)(H2,13,15,16)(H2,20,21,22)/p-4/t5-,7-,8-,11-/m1/s1
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n/an/an/an/a 80n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at turkey P2Y1 receptor expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by dual-excitati...


Eur J Med Chem 44: 1525-36 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.015
BindingDB Entry DOI: 10.7270/Q2W37X7P
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50422301
PNG
(CHEMBL2364565)
Show SMILES CCCCOc1nc(N)c2ncn([C@@H]3O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]3O)c2n1 |r|
Show InChI InChI=1S/C14H24N5O14P3/c1-2-3-4-29-14-17-11(15)8-12(18-14)19(6-16-8)13-10(21)9(20)7(31-13)5-30-35(25,26)33-36(27,28)32-34(22,23)24/h6-7,9-10,13,20-21H,2-5H2,1H3,(H,25,26)(H,27,28)(H2,15,17,18)(H2,22,23,24)/p-4/t7-,9-,10-,13-/m1/s1
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n/an/an/an/a 88n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Compounds was tested for its ability to stimulate phospholipase C activity at the P2Y purinoceptor 1 in turkey erythrocyte membranes.


J Med Chem 42: 5325-37 (2000)


BindingDB Entry DOI: 10.7270/Q2V988S4
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50118230
PNG
(5'-O-[(R)-HYDROXY(THIOPHOSPHONOOXY)PHOSPHORYL]ADEN...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(S)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H15N5O9P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(23-10)1-22-25(18,19)24-26(20,21)27/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H2,20,21,27)/t4-,6-,7-,10-/m1/s1
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n/an/an/an/a 96n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Evaluated for agonist activity against phospholipase C coupled P2Y purinoceptor 1 (P2Y1) of turkey erythrocytes


J Med Chem 45: 4057-93 (2002)


BindingDB Entry DOI: 10.7270/Q2VX0H71
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50368125
PNG
(ADENOSINE DIPHOSPHATE | ADP)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|
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 100n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at turkey P2Y1 receptor expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by dual-excitati...


Eur J Med Chem 44: 1525-36 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.015
BindingDB Entry DOI: 10.7270/Q2W37X7P
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)
BDBM50085825
PNG
(CHEMBL353178 | Phosphoric acid mono-[4-(6-amino-pu...)
Show SMILES Nc1ncnc2n(cnc12)C1CC(OP(O)(O)=O)C2(COP(O)(O)=O)CC12
Show InChI InChI=1S/C12H17N5O8P2/c13-10-9-11(15-4-14-10)17(5-16-9)7-1-8(25-27(21,22)23)12(2-6(7)12)3-24-26(18,19)20/h4-8H,1-3H2,(H2,13,14,15)(H2,18,19,20)(H2,21,22,23)
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n/an/an/an/a 155n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
In vitro stimulation of 2PY1 purinoceptor mediated phospholipase C (PLC) activity in Turkey Erythrocyte Ghosts


J Med Chem 43: 829-42 (2000)


BindingDB Entry DOI: 10.7270/Q2474BJ3
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50118227
PNG
(CHEMBL133051 | MRS 2268)
Show SMILES Nc1ncnc2n(cnc12)[C@H]1CC(OP(O)(O)=O)C2(COP(O)(O)=O)CC12
Show InChI InChI=1S/C12H17N5O8P2/c13-10-9-11(15-4-14-10)17(5-16-9)7-1-8(25-27(21,22)23)12(2-6(7)12)3-24-26(18,19)20/h4-8H,1-3H2,(H2,13,14,15)(H2,18,19,20)(H2,21,22,23)/t6?,7-,8?,12?/m0/s1
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n/an/an/an/a 155n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Evaluated for agonist activity against phospholipase C coupled P2Y purinoceptor 1 (P2Y1) of turkey erythrocytes


J Med Chem 45: 4057-93 (2002)


BindingDB Entry DOI: 10.7270/Q2VX0H71
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)
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


(Meleagris gallopavo)
BDBM50118229
PNG
(CHEMBL129841 | MRS 2179)
Show SMILES CNc1ncnc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@@H](COP(O)(O)=O)O1
Show InChI InChI=1S/C11H17N5O9P2/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(25-27(20,21)22)7(24-8)3-23-26(17,18)19/h4-8H,2-3H2,1H3,(H,12,13,14)(H2,17,18,19)(H2,20,21,22)/t6-,7+,8+/m0/s1
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n/an/an/an/a 330n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Evaluated for agonist activity against phospholipase C coupled P2Y purinoceptor 1 (P2Y1) of turkey erythrocytes


J Med Chem 45: 4057-93 (2002)


BindingDB Entry DOI: 10.7270/Q2VX0H71
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)
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)
BDBM50408722
PNG
(CHEMBL2092794)
Show SMILES Nc1nc(SCCc2ccc(cc2)[N+]([O-])=O)nc2n(cnc12)C1OC(COP([S-])(=[OH+])OP(O)(=O)OP(O)(O)=O)C(O)C1O
Show InChI InChI=1S/C18H23N6O14P3S2/c19-15-12-16(22-18(21-15)43-6-5-9-1-3-10(4-2-9)24(27)28)23(8-20-12)17-14(26)13(25)11(36-17)7-35-41(34,42)38-40(32,33)37-39(29,30)31/h1-4,8,11,13-14,17,25-26H,5-7H2,(H,32,33)(H,34,42)(H2,19,21,22)(H2,29,30,31)
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n/an/an/an/a 510n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonistic activity for P2Y purinoceptor 1 of turkey erythrocyte membranes


J Med Chem 42: 3636-46 (1999)


Article DOI: 10.1021/jm990158y
BindingDB Entry DOI: 10.7270/Q2G73FD8
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50408722
PNG
(CHEMBL2092794)
Show SMILES Nc1nc(SCCc2ccc(cc2)[N+]([O-])=O)nc2n(cnc12)C1OC(COP([S-])(=[OH+])OP(O)(=O)OP(O)(O)=O)C(O)C1O
Show InChI InChI=1S/C18H23N6O14P3S2/c19-15-12-16(22-18(21-15)43-6-5-9-1-3-10(4-2-9)24(27)28)23(8-20-12)17-14(26)13(25)11(36-17)7-35-41(34,42)38-40(32,33)37-39(29,30)31/h1-4,8,11,13-14,17,25-26H,5-7H2,(H,32,33)(H,34,42)(H2,19,21,22)(H2,29,30,31)
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n/an/an/an/a 510n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonistic activity for P2Y purinoceptor 1 of turkey erythrocyte membranes


J Med Chem 42: 3636-46 (1999)


Article DOI: 10.1021/jm990158y
BindingDB Entry DOI: 10.7270/Q2G73FD8
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50062283
PNG
(CHEMBL43531 | Phosphoric acid mono-[5-(6-amino-2-m...)
Show SMILES CSc1nc(N)c2ncn(C3CC(OP(O)(O)=O)C(COP(O)(O)=O)O3)c2n1
Show InChI InChI=1S/C11H17N5O9P2S/c1-28-11-14-9(12)8-10(15-11)16(4-13-8)7-2-5(25-27(20,21)22)6(24-7)3-23-26(17,18)19/h4-7H,2-3H2,1H3,(H2,12,14,15)(H2,17,18,19)(H2,20,21,22)
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n/an/an/an/a 550n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Agonist activity at P2Y1 receptor measured as capacity to stimulate 50% phospholipase C in turkey erythrocyte membranes


J Med Chem 41: 183-90 (1998)


Article DOI: 10.1021/jm970433l
BindingDB Entry DOI: 10.7270/Q2SX6DWZ
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50062283
PNG
(CHEMBL43531 | Phosphoric acid mono-[5-(6-amino-2-m...)
Show SMILES CSc1nc(N)c2ncn(C3CC(OP(O)(O)=O)C(COP(O)(O)=O)O3)c2n1
Show InChI InChI=1S/C11H17N5O9P2S/c1-28-11-14-9(12)8-10(15-11)16(4-13-8)7-2-5(25-27(20,21)22)6(24-7)3-23-26(17,18)19/h4-7H,2-3H2,1H3,(H2,12,14,15)(H2,17,18,19)(H2,20,21,22)
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n/an/an/an/a 550n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Concentration at which 50% of the maximal effect (stimulation of PLC at P2Y1 receptor in the turkey erythrocyte membranes) is reached


J Med Chem 42: 1625-38 (1999)


Article DOI: 10.1021/jm980657j
BindingDB Entry DOI: 10.7270/Q28C9WZM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50315825
PNG
(({[({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-...)
Show SMILES BP(=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(SC)nc12)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O |r|
Show InChI InChI=1S/C12H19BCl2N5O11P3S/c1-35-11-18-8(16)5-9(19-11)20(3-17-5)10-7(22)6(21)4(30-10)2-29-34(13,28)31-33(26,27)12(14,15)32(23,24)25/h3-4,6-7,10,21-22H,2,13H2,1H3,(H,26,27)(H2,16,18,19)(H2,23,24,25)/t4-,6-,7-,10-,34?/m1/s1
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n/an/an/an/a 570n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at turkey P2Y1 receptor expressed in human 132N1 receptor assessed as induction of intracellular calcium mobilization


J Med Chem 53: 3305-19 (2010)


Article DOI: 10.1021/jm100030u
BindingDB Entry DOI: 10.7270/Q2CV4HW1
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50315825
PNG
(({[({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-...)
Show SMILES BP(=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(SC)nc12)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O |r|
Show InChI InChI=1S/C12H19BCl2N5O11P3S/c1-35-11-18-8(16)5-9(19-11)20(3-17-5)10-7(22)6(21)4(30-10)2-29-34(13,28)31-33(26,27)12(14,15)32(23,24)25/h3-4,6-7,10,21-22H,2,13H2,1H3,(H,26,27)(H2,16,18,19)(H2,23,24,25)/t4-,6-,7-,10-,34?/m1/s1
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n/an/an/an/a 570n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at turkey P2Y1 receptor expressed in human 132N1 receptor assessed as induction of intracellular calcium mobilization


J Med Chem 53: 3305-19 (2010)


Article DOI: 10.1021/jm100030u
BindingDB Entry DOI: 10.7270/Q2CV4HW1
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50062286
PNG
(CHEMBL44408 | Phosphoric acid mono-[5-(6-amino-2-c...)
Show SMILES Nc1nc(Cl)nc2n(cnc12)C1CC(OP(O)(O)=O)C(COP(O)(O)=O)O1
Show InChI InChI=1S/C10H14ClN5O9P2/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(25-27(20,21)22)5(24-6)2-23-26(17,18)19/h3-6H,1-2H2,(H2,12,14,15)(H2,17,18,19)(H2,20,21,22)
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n/an/an/an/a 651n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Agonist activity at P2Y1 receptor measured as capacity to stimulate 50% phospholipase C in turkey erythrocyte membranes


J Med Chem 41: 183-90 (1998)


Article DOI: 10.1021/jm970433l
BindingDB Entry DOI: 10.7270/Q2SX6DWZ
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50062286
PNG
(CHEMBL44408 | Phosphoric acid mono-[5-(6-amino-2-c...)
Show SMILES Nc1nc(Cl)nc2n(cnc12)C1CC(OP(O)(O)=O)C(COP(O)(O)=O)O1
Show InChI InChI=1S/C10H14ClN5O9P2/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(25-27(20,21)22)5(24-6)2-23-26(17,18)19/h3-6H,1-2H2,(H2,12,14,15)(H2,17,18,19)(H2,20,21,22)
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n/an/an/an/a 651n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Concentration at which 50% of the maximal effect (stimulation of PLC at P2Y1 receptor in the turkey erythrocyte membranes) is reached


J Med Chem 42: 1625-38 (1999)


Article DOI: 10.1021/jm980657j
BindingDB Entry DOI: 10.7270/Q28C9WZM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50422385
PNG
(2-Chloro-Adenosinetriphosphate | CHEMBL1368696)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H15ClN5O13P3/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1
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n/an/an/an/a 720n/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


(Meleagris gallopavo)
BDBM50315822
PNG
(({[({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-...)
Show SMILES CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)C(F)(F)P(O)(O)=O)[C@@H](O)[C@H]3O)c2n1 |r|
Show InChI InChI=1S/C12H18F2N5O12P3S/c1-35-11-17-8(15)5-9(18-11)19(3-16-5)10-7(21)6(20)4(30-10)2-29-34(27,28)31-33(25,26)12(13,14)32(22,23)24/h3-4,6-7,10,20-21H,2H2,1H3,(H,25,26)(H,27,28)(H2,15,17,18)(H2,22,23,24)/t4-,6-,7-,10-/m1/s1
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n/an/an/an/a 760n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at turkey P2Y1 receptor expressed in human 132N1 receptor assessed as induction of intracellular calcium mobilization


J Med Chem 53: 3305-19 (2010)


Article DOI: 10.1021/jm100030u
BindingDB Entry DOI: 10.7270/Q2CV4HW1
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)
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)
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
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