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Compile Data Set for Download or QSAR

Found 574 hits of ec50 data for polymerid = 49000976,49000978,49000983,49000985,50000310,50000466,50000723,50000724,50000725,50000731   
Target
(Institution)
LigandTarget
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
Purinergic receptor P2Y1


(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)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Rattus norvegicus)
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 1n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Concentration required for calcium mobilization at rat purinergic 2Y1 receptor expressed in HEK 293 cells


J Med Chem 47: 4405-16 (2004)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Rattus norvegicus)
BDBM50410189
PNG
(CHEMBL2093075)
Show SMILES CSc1nc(N)c2ncn(C3O[C@H](CO[P@](O)(=S)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C11H18N5O12P3S2/c1-33-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(26-10)2-25-31(24,32)28-30(22,23)27-29(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H,24,32)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10?,31+/m1/s1
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n/an/an/an/a 1n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Concentration required for calcium mobilization at rat purinergic 2Y1 receptor expressed in HEK 293 cells


J Med Chem 47: 4405-16 (2004)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Rattus norvegicus)
BDBM50409654
PNG
(CHEMBL2021421)
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)OP([O-])([O-])=O
Show InChI InChI=1S/C10H17BClN5O12P3/c11-30(20,28-32(24,25)29-31(21,22)23)26-1-3-5(18)6(19)9(27-3)17-2-14-4-7(13)15-10(12)16-8(4)17/h2-3,5-6,9,18-19H,1H2,11H3,(H,24,25)(H2,13,15,16)(H2,21,22,23)/q-1/p-3/t3-,5-,6-,9-,30?/m1/s1
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n/an/an/an/a 1n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonists activity was evaluated by release of [Ca2+] release of HEK 293 cells stably transfected with rat-brain P2Y purinoceptor 1 (P2Y1-R)


J Med Chem 45: 5384-96 (2002)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(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
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)

More data for this
Ligand-Target Pair
P2X purinoceptor 1


(RAT)
BDBM50118215
PNG
(CHEMBL1628528 | Ip5I)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2nc[nH]c3=O)O[C@H]([C@@H]1O)n1cnc2c1nc[nH]c2=O
Show InChI InChI=1S/C20H27N8O24P5/c29-11-7(47-19(13(11)31)27-5-25-9-15(27)21-3-23-17(9)33)1-45-53(35,36)49-55(39,40)51-57(43,44)52-56(41,42)50-54(37,38)46-2-8-12(30)14(32)20(48-8)28-6-26-10-16(28)22-4-24-18(10)34/h3-8,11-14,19-20,29-32H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,21,23,33)(H,22,24,34)/t7-,8+,11-,12+,13-,14+,19-,20-/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
The compound was evaluated for antagonist activity against recombinant rat P2X purinoceptor 1 (P2X1)


J Med Chem 45: 4057-93 (2002)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(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
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)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(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
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)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(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
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)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(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
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)

More data for this
Ligand-Target Pair
P2X purinoceptor 1


(HUMAN)
BDBM50118219
PNG
(Bz-ATP | CHEMBL339386)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1OC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H24N5O14P3/c24-20-17-21(26-11-25-20)28(12-27-17)22-19(40-23(30)15-8-6-14(7-9-15)13-4-2-1-3-5-13)18(29)16(39-22)10-38-44(34,35)42-45(36,37)41-43(31,32)33/h1-9,11-12,16,18-19,22,29H,10H2,(H,34,35)(H,36,37)(H2,24,25,26)(H2,31,32,33)/t16-,18-,19-,22-/m1/s1
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n/an/an/an/a 2n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
The compound was evaluated for antagonist activity against recombinant human P2X purinoceptor 1 (P2X1 )


J Med Chem 45: 4057-93 (2002)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Rattus norvegicus)
BDBM50370180
PNG
(CHEMBL607612)
Show SMILES C[B-](C)(C)P(=O)(OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)OP(O)(=O)OP(O)(O)=O
Show InChI InChI=1S/C13H24BN5O12P3/c1-14(2,3)32(22,30-34(26,27)31-33(23,24)25)28-4-7-9(20)10(21)13(29-7)19-6-18-8-11(15)16-5-17-12(8)19/h5-7,9-10,13,20-21H,4H2,1-3H3,(H,26,27)(H2,15,16,17)(H2,23,24,25)/q-1/t7-,9-,10-,13?,32?/m1/s1
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Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonists activity was evaluated by release of [Ca2+] release of HEK 293 cells stably transfected with rat-brain P2Y purinoceptor 1 (P2Y1-R)


J Med Chem 45: 5384-96 (2002)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Rattus norvegicus)
BDBM50422407
PNG
(CHEMBL2364735)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O
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)/p-4/t4-,6-,7-,10-/m1/s1
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Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonists activity was evaluated by release of [Ca2+] release of HEK 293 cells stably transfected with rat-brain P2Y purinoceptor 1 (P2Y1-R)


J Med Chem 45: 5384-96 (2002)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(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
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)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(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
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)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(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
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)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(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
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)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Rattus norvegicus)
BDBM50267999
PNG
(({[({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-...)
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
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
Concentration required for calcium mobilization at rat purinergic 2Y1 receptor expressed in HEK 293 cells


J Med Chem 47: 4405-16 (2004)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(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
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)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Rattus norvegicus)
BDBM50267999
PNG
(({[({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-...)
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
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
Agonists activity was evaluated by release of [Ca2+] release of HEK 293 cells stably transfected with rat-brain P2Y purinoceptor 1 (P2Y1-R)


J Med Chem 45: 5384-96 (2002)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(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
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)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50131064
PNG
(CHEMBL3634182)
Show SMILES CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(S)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1/C11H17N5O9P2S2/c1-29-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(24-10)2-23-27(22,28)25-26(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,28)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-,27?/s2
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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)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(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
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)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(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
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)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens)
BDBM50197695
PNG
(({[({[(2R,3S,4R,5R)-5-(5-fluoro-1,3-benzothiazol-2...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)c1nc2cc(F)ccc2s1
Show InChI InChI=1S/C12H15FNO13P3S/c13-5-1-2-8-6(3-5)14-12(31-8)11-10(16)9(15)7(25-11)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h1-3,7,9-11,15-16H,4H2,(H,20,21)(H,22,23)(H2,17,18,19)/t7-,9-,10-,11-/m1/s1
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UCB-Group

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2 receptor expressed in human 1321N1 by FLIPR assay


Bioorg Med Chem Lett 17: 558-61 (2007)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens)
BDBM50195835
PNG
(({[({[(2R,3S,4R,5R)-5-[7-fluoro-6-(methylsulfanyl)...)
Show SMILES CSc1cc2ccn([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c(=O)c2cc1F
Show InChI InChI=1S/C15H19FNO14P3S/c1-35-11-4-7-2-3-17(14(20)8(7)5-9(11)16)15-13(19)12(18)10(29-15)6-28-33(24,25)31-34(26,27)30-32(21,22)23/h2-5,10,12-13,15,18-19H,6H2,1H3,(H,24,25)(H,26,27)(H2,21,22,23)/t10-,12-,13-,15-/m1/s1
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UCB-Group

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2 receptor expressed in human 1321N1 by FLIPR assay


Bioorg Med Chem Lett 17: 562-5 (2007)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(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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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)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(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
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)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(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
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)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Rattus norvegicus)
BDBM50422406
PNG
(2-Chloroadenosine Triphosphate Tetrasodium | CHEMB...)
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)/p-4/t3-,5-,6-,9-/m1/s1
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n/an/an/an/a 3.60n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonists activity was evaluated by release of [Ca2+] release of HEK 293 cells stably transfected with rat-brain P2Y purinoceptor 1 (P2Y1-R)


J Med Chem 45: 5384-96 (2002)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(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)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(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
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)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens)
BDBM50195845
PNG
(({[({[(2R,3S,4R,5R)-5-[6-(dimethylamino)-7-fluoro-...)
Show SMILES CN(C)c1cc2ccn([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c(=O)c2cc1F
Show InChI InChI=1S/C16H22FN2O14P3/c1-18(2)11-5-8-3-4-19(15(22)9(8)6-10(11)17)16-14(21)13(20)12(31-16)7-30-35(26,27)33-36(28,29)32-34(23,24)25/h3-6,12-14,16,20-21H,7H2,1-2H3,(H,26,27)(H,28,29)(H2,23,24,25)/t12-,13-,14-,16-/m1/s1
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n/an/an/an/a 4n/an/an/an/a



UCB-Group

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2 receptor expressed in human 1321N1 by FLIPR assay


Bioorg Med Chem Lett 17: 562-5 (2007)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Rattus norvegicus)
BDBM50435007
PNG
(CHEMBL2386493)
Show SMILES B[P@@](=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(Cl)nc12)OP(O)(=O)OP(O)(O)=O
Show InChI InChI=1S/C10H16BClN5O12P3/c11-30(20,28-32(24,25)29-31(21,22)23)26-1-3-5(18)6(19)9(27-3)17-2-14-4-7(13)15-10(12)16-8(4)17/h2-3,5-6,9,18-19H,1,11H2,(H,24,25)(H2,13,15,16)(H2,21,22,23)/t3-,5-,6-,9-,30-/m1/s1
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n/an/an/an/a 4.5n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at rat brain P2Y1R transfected in HEK293 cells assessed as induction of intracellular calcium mobilization by fluorescence assay


J Med Chem 56: 4938-52 (2013)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Rattus norvegicus)
BDBM50422408
PNG
(CHEMBL2364736)
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)/p-4/t4-,6-,7-,10-/m1/s1
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n/an/an/an/a 4.5n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonists activity was evaluated by release of [Ca2+] release of HEK 293 cells stably transfected with rat-brain P2Y purinoceptor 1 (P2Y1-R)


J Med Chem 45: 5384-96 (2002)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Rattus norvegicus)
BDBM50370496
PNG
(CHEMBL610595)
Show SMILES BP(O)(OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(Cl)nc12)OP(O)(=O)OP(O)(O)=O
Show InChI InChI=1S/C10H18BClN5O12P3/c11-30(20,28-32(24,25)29-31(21,22)23)26-1-3-5(18)6(19)9(27-3)17-2-14-4-7(13)15-10(12)16-8(4)17/h2-3,5-6,9,18-20,30H,1,11H2,(H,24,25)(H2,13,15,16)(H2,21,22,23)/t3-,5-,6-,9?/m1/s1
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n/an/an/an/a 4.5n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Concentration required for calcium mobilization at rat purinergic 2Y1 receptor expressed in HEK 293 cells


J Med Chem 47: 4405-16 (2004)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(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
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)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(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
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)

More data for this
Ligand-Target Pair
P2X purinoceptor 1


(RAT)
BDBM50118222
PNG
(MRS 2257)
Show SMILES Cc1nc(N=Nc2cc(CP(O)([O-])=O)cc(CP(O)([O-])=O)c2)c(COP(O)(O)=O)c(C=O)c1O
Show InChI InChI=1S/C16H20N3O12P3/c1-9-15(21)13(5-20)14(6-31-34(28,29)30)16(17-9)19-18-12-3-10(7-32(22,23)24)2-11(4-12)8-33(25,26)27/h2-5,21H,6-8H2,1H3,(H2,22,23,24)(H2,25,26,27)(H2,28,29,30)/p-2
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n/an/an/an/a 5n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
The compound was evaluated for antagonist activity against recombinant rat P2X purinoceptor 1 (P2X1) at 1 uM,expressed in Xenopus oocytes


J Med Chem 45: 4057-93 (2002)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens)
BDBM50195825
PNG
(({[({[(2R,3S,4R,5R)-5-(7-fluoro-1-oxo-1,2-dihydroi...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2ccc(F)cc2c1=O
Show InChI InChI=1S/C14H17FNO14P3/c15-8-2-1-7-3-4-16(13(19)9(7)5-8)14-12(18)11(17)10(28-14)6-27-32(23,24)30-33(25,26)29-31(20,21)22/h1-5,10-12,14,17-18H,6H2,(H,23,24)(H,25,26)(H2,20,21,22)/t10-,11-,12-,14-/m1/s1
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n/an/an/an/a 5n/an/an/an/a



UCB-Group

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2 receptor expressed in human 1321N1 by FLIPR assay


Bioorg Med Chem Lett 17: 562-5 (2007)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens)
BDBM50195825
PNG
(({[({[(2R,3S,4R,5R)-5-(7-fluoro-1-oxo-1,2-dihydroi...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2ccc(F)cc2c1=O
Show InChI InChI=1S/C14H17FNO14P3/c15-8-2-1-7-3-4-16(13(19)9(7)5-8)14-12(18)11(17)10(28-14)6-27-32(23,24)30-33(25,26)29-31(20,21)22/h1-5,10-12,14,17-18H,6H2,(H,23,24)(H,25,26)(H2,20,21,22)/t10-,11-,12-,14-/m1/s1
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n/an/an/an/a 5n/an/an/an/a



UCB-Group

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2 receptor expressed in human 1321N1 by FLIPR assay


Bioorg Med Chem Lett 17: 558-61 (2007)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(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
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)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(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)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(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
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)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens)
BDBM50195847
PNG
(({[({[(2R,3S,4R,5R)-5-(7-fluoro-6-methoxy-1-oxo-1,...)
Show SMILES COc1cc2ccn([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c(=O)c2cc1F
Show InChI InChI=1S/C15H19FNO15P3/c1-28-10-4-7-2-3-17(14(20)8(7)5-9(10)16)15-13(19)12(18)11(30-15)6-29-34(24,25)32-35(26,27)31-33(21,22)23/h2-5,11-13,15,18-19H,6H2,1H3,(H,24,25)(H,26,27)(H2,21,22,23)/t11-,12-,13-,15-/m1/s1
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n/an/an/an/a 6n/an/an/an/a



UCB-Group

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2 receptor expressed in human 1321N1 by FLIPR assay


Bioorg Med Chem Lett 17: 562-5 (2007)

More data for this
Ligand-Target Pair
P2X purinoceptor 1


(HUMAN)
BDBM50370141
PNG
(TNP-ATP)
Show SMILES Nc1ncnc2n(cnc12)C1OC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C2OC3(OC12)C(=C[C-](C=C3[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C16H16N8O19P3/c17-13-10-14(19-4-18-13)21(5-20-10)15-12-11(7(39-15)3-38-45(34,35)43-46(36,37)42-44(31,32)33)40-16(41-12)8(23(27)28)1-6(22(25)26)2-9(16)24(29)30/h1-2,4-5,7,11-12,15H,3H2,(H,34,35)(H,36,37)(H2,17,18,19)(H2,31,32,33)/q-1
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n/an/an/an/a 6n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
The compound was evaluated for antagonist activity against recombinant human P2X purinoceptor 1 (P2X1 )


J Med Chem 45: 4057-93 (2002)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(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
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)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens)
BDBM50197694
PNG
(({[({[(2R,3S,4R,5R)-5-(6-chloro-4-fluoro-1,3-benzo...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)c1nc2c(F)cc(Cl)cc2s1
Show InChI InChI=1S/C12H14ClFNO13P3S/c13-4-1-5(14)8-7(2-4)32-12(15-8)11-10(17)9(16)6(26-11)3-25-30(21,22)28-31(23,24)27-29(18,19)20/h1-2,6,9-11,16-17H,3H2,(H,21,22)(H,23,24)(H2,18,19,20)/t6-,9-,10-,11-/m1/s1
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n/an/an/an/a 7n/an/an/an/a



UCB-Group

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2 receptor expressed in human 1321N1 by FLIPR assay


Bioorg Med Chem Lett 17: 558-61 (2007)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(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
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)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(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)

More data for this
Ligand-Target Pair
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