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Compile Data Set for Download or QSAR

Found 3469 hits Enz. Inhib. hit(s) with Target = 'Purinergic receptor P2Y1'   
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
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)


Article DOI: 10.1021/jm010538v
BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50000900
PNG
(CHEMBL90804 | {Cyclohexyl-[4-(2-oxo-2,3-dihydro-1H...)
Show SMILES COC(=O)CN(C1CCCCC1)C(=O)CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1
Show InChI InChI=1S/C23H28N4O5/c1-31-21(29)14-27(16-6-3-2-4-7-16)20(28)8-5-11-32-17-9-10-18-15(12-17)13-19-22(24-18)26-23(30)25-19/h9-10,12-13,16H,2-8,11,14H2,1H3,(H2,24,25,26,30)
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n/an/an/an/a 0.700n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation using adenosine diphosphate (ADP) as activating agent in human platelet rich plasma (PRP)


J Med Chem 35: 2672-87 (1992)


Article DOI: 10.1021/jm00092a019
BindingDB Entry DOI: 10.7270/Q2513X52
More data for this
Ligand-Target Pair
Purinergic receptor P2Y14


(Homo sapiens)
BDBM50303338
PNG
(2-Thiouridine-5'-alpha,beta-methylene Diphosphate,...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])(=O)CP(O)([O-])=O)n1ccc(=O)[nH]c1=S
Show InChI InChI=1S/C10H16N2O10P2S/c13-6-1-2-12(10(25)11-6)9-8(15)7(14)5(22-9)3-21-24(19,20)4-23(16,17)18/h1-2,5,7-9,14-15H,3-4H2,(H,19,20)(H,11,13,25)(H2,16,17,18)/p-2/t5-,7-,8-,9-/m1/s1
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n/an/an/an/a 0.920n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y14 receptor expressed in HEK293 cells coexpressing phospholipase C-activating Gi protein cells assessed as inhibition of...


J Med Chem 53: 471-80 (2010)


Article DOI: 10.1021/jm901432g
BindingDB Entry DOI: 10.7270/Q2W95B4M
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)


Article DOI: 10.1021/jm020251d
BindingDB Entry DOI: 10.7270/Q2M909DD
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50000892
PNG
(5-(2-Oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-7-y...)
Show SMILES CN(C1CCCCC1)C(=O)CCCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1
Show InChI InChI=1S/C22H28N4O3/c1-26(16-7-3-2-4-8-16)20(27)9-5-6-12-29-17-10-11-18-15(13-17)14-19-21(23-18)25-22(28)24-19/h10-11,13-14,16H,2-9,12H2,1H3,(H2,23,24,25,28)
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n/an/an/an/a 1n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation using adenosine diphosphate (ADP) as activating agent in human platelet rich plasma (PRP)


J Med Chem 35: 2672-87 (1992)


Article DOI: 10.1021/jm00092a019
BindingDB Entry DOI: 10.7270/Q2513X52
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)


Article DOI: 10.1021/jm049771u
BindingDB Entry DOI: 10.7270/Q2PC334S
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50000915
PNG
(5-(2-Oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-7-y...)
Show SMILES CN(C1CCCCCC1)C(=O)CCCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1
Show InChI InChI=1S/C23H30N4O3/c1-27(17-8-4-2-3-5-9-17)21(28)10-6-7-13-30-18-11-12-19-16(14-18)15-20-22(24-19)26-23(29)25-20/h11-12,14-15,17H,2-10,13H2,1H3,(H2,24,25,26,29)
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n/an/an/an/a 1n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation using adenosine diphosphate (ADP) as activating agent in human platelet rich plasma (PRP)


J Med Chem 35: 2672-87 (1992)


Article DOI: 10.1021/jm00092a019
BindingDB Entry DOI: 10.7270/Q2513X52
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)


Article DOI: 10.1021/jm049771u
BindingDB Entry DOI: 10.7270/Q2PC334S
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(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 1.10n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against phospholipase C coupled rat P2Y purinoceptor 12 (P2Y12)


J Med Chem 45: 4057-93 (2002)


Article DOI: 10.1021/jm020046y
BindingDB Entry DOI: 10.7270/Q2VX0H71
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50118223
PNG
(AR-C67085 | Adenosine triphosphate derivative | CH...)
Show SMILES CCCSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C14H22Cl2N5O12P3S/c1-2-3-37-13-19-10(17)7-11(20-13)21(5-18-7)12-9(23)8(22)6(32-12)4-31-36(29,30)33-35(27,28)14(15,16)34(24,25)26/h5-6,8-9,12,22-23H,2-4H2,1H3,(H,27,28)(H,29,30)(H2,17,19,20)(H2,24,25,26)/t6-,8-,9-,12-/m1/s1
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n/an/an/an/a 1.30n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
The compound was evaluated for antagonist activity against platelet P2Y purinoceptor 12 (P2Y12)


J Med Chem 45: 4057-93 (2002)


Article DOI: 10.1021/jm020046y
BindingDB Entry DOI: 10.7270/Q2VX0H71
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50297387
PNG
((5S,6R,7E,9E,11Z,14Z)-6-(cystein-S-yl)-5-hydroxyic...)
Show SMILES CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](N)C(O)=O)[C@@H](O)CCCC(O)=O
Show InChI InChI=1S/C23H37NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(30-18-19(24)23(28)29)20(25)15-14-17-22(26)27/h6-7,9-13,16,19-21,25H,2-5,8,14-15,17-18,24H2,1H3,(H,26,27)(H,28,29)/b7-6-,10-9-,12-11+,16-13+/t19-,20-,21+/m0/s1
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n/an/an/an/a 1.30n/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y12 receptor


J Med Chem 52: 5803-15 (2009)


Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1
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)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
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)


Article DOI: 10.1021/jm9018542
BindingDB Entry DOI: 10.7270/Q20C4VVG
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)


Article DOI: 10.1021/jm970684u
BindingDB Entry DOI: 10.7270/Q2TM7BSC
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)


Article DOI: 10.1021/jm970684u
BindingDB Entry DOI: 10.7270/Q2TM7BSC
More data for this
Ligand-Target Pair
Purinergic receptor P2Y14


(Homo sapiens)
BDBM50194160
PNG
((2R,3R,4S,5R)-1-(3,4-dihydroxy-5-(diphosphoryloxym...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)n1ccc(=O)[nH]c1=S
Show InChI InChI=1S/C9H14N2O11P2S/c12-5-1-2-11(9(25)10-5)8-7(14)6(13)4(21-8)3-20-24(18,19)22-23(15,16)17/h1-2,4,6-8,13-14H,3H2,(H,18,19)(H,10,12,25)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1
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n/an/an/an/a 1.92n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y14 receptor expressed in HEK293 cells coexpressing phospholipase C-activating Gi protein cells assessed as inhibition of...


J Med Chem 53: 471-80 (2010)


Article DOI: 10.1021/jm901432g
BindingDB Entry DOI: 10.7270/Q2W95B4M
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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n/an/an/an/a 2n/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)


Article DOI: 10.1021/jm020251d
BindingDB Entry DOI: 10.7270/Q2M909DD
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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n/an/an/an/a 2n/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)


Article DOI: 10.1021/jm020251d
BindingDB Entry DOI: 10.7270/Q2M909DD
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)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
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)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
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)


Article DOI: 10.1021/jm901621h
BindingDB Entry DOI: 10.7270/Q2DN4565
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)


Article DOI: 10.1021/jm970684u
BindingDB Entry DOI: 10.7270/Q2TM7BSC
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)


Article DOI: 10.1021/jm3006355
BindingDB Entry DOI: 10.7270/Q2KK9CXT
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)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
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)


Article DOI: 10.1021/jm901621h
BindingDB Entry DOI: 10.7270/Q2DN4565
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)


Article DOI: 10.1021/jm049771u
BindingDB Entry DOI: 10.7270/Q2PC334S
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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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)


Article DOI: 10.1021/jm020251d
BindingDB Entry DOI: 10.7270/Q2M909DD
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=1S/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?/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 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
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 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)


Article DOI: 10.1021/jm010538v
BindingDB Entry DOI: 10.7270/Q25H7GZB
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)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
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)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
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)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
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)


Article DOI: 10.1021/jm020251d
BindingDB Entry DOI: 10.7270/Q2M909DD
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)


Article DOI: 10.1021/jm010538v
BindingDB Entry DOI: 10.7270/Q25H7GZB
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)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50000880
PNG
(7-(2-Hydroxy-ethoxy)-1,3-dihydro-imidazo[4,5-b]qui...)
Show SMILES OCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1
Show InChI InChI=1S/C12H11N3O3/c16-3-4-18-8-1-2-9-7(5-8)6-10-11(13-9)15-12(17)14-10/h1-2,5-6,16H,3-4H2,(H2,13,14,15,17)
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n/an/an/an/a 4n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation using adenosine diphosphate (ADP) as activating agent in human platelet rich plasma (PRP)


J Med Chem 35: 2672-87 (1992)


Article DOI: 10.1021/jm00092a019
BindingDB Entry DOI: 10.7270/Q2513X52
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)


Article DOI: 10.1021/jm400197m
BindingDB Entry DOI: 10.7270/Q2Q52R0Q
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)


Article DOI: 10.1021/jm020251d
BindingDB Entry DOI: 10.7270/Q2M909DD
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)


Article DOI: 10.1021/jm049771u
BindingDB Entry DOI: 10.7270/Q2PC334S
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)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
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)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50000931
PNG
(CHEMBL91368 | N-Cyclohexyl-N-methyl-4-(2-oxo-2,3-d...)
Show SMILES CN(C1CCCCC1)C(=O)CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1
Show InChI InChI=1S/C21H26N4O3/c1-25(15-6-3-2-4-7-15)19(26)8-5-11-28-16-9-10-17-14(12-16)13-18-20(22-17)24-21(27)23-18/h9-10,12-13,15H,2-8,11H2,1H3,(H2,22,23,24,27)
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n/an/an/an/a 5n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation using Adenosine diphosphate (ADP) as activating agent in rabbit platelet rich plasma (PRP)


J Med Chem 35: 2672-87 (1992)


Article DOI: 10.1021/jm00092a019
BindingDB Entry DOI: 10.7270/Q2513X52
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50000915
PNG
(5-(2-Oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-7-y...)
Show SMILES CN(C1CCCCCC1)C(=O)CCCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1
Show InChI InChI=1S/C23H30N4O3/c1-27(17-8-4-2-3-5-9-17)21(28)10-6-7-13-30-18-11-12-19-16(14-18)15-20-22(24-19)26-23(29)25-20/h11-12,14-15,17H,2-10,13H2,1H3,(H2,24,25,26,29)
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n/an/an/an/a 5n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation using Adenosine diphosphate (ADP) as activating agent in rabbit platelet rich plasma (PRP)


J Med Chem 35: 2672-87 (1992)


Article DOI: 10.1021/jm00092a019
BindingDB Entry DOI: 10.7270/Q2513X52
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)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50000900
PNG
(CHEMBL90804 | {Cyclohexyl-[4-(2-oxo-2,3-dihydro-1H...)
Show SMILES COC(=O)CN(C1CCCCC1)C(=O)CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1
Show InChI InChI=1S/C23H28N4O5/c1-31-21(29)14-27(16-6-3-2-4-7-16)20(28)8-5-11-32-17-9-10-18-15(12-17)13-19-22(24-18)26-23(30)25-19/h9-10,12-13,16H,2-8,11,14H2,1H3,(H2,24,25,26,30)
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n/an/an/an/a 6n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation using Adenosine diphosphate (ADP) as activating agent in rabbit platelet rich plasma (PRP)


J Med Chem 35: 2672-87 (1992)


Article DOI: 10.1021/jm00092a019
BindingDB Entry DOI: 10.7270/Q2513X52
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)


Article DOI: 10.1021/jm010538v
BindingDB Entry DOI: 10.7270/Q25H7GZB
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)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
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)


Article DOI: 10.1021/jm010538v
BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50000931
PNG
(CHEMBL91368 | N-Cyclohexyl-N-methyl-4-(2-oxo-2,3-d...)
Show SMILES CN(C1CCCCC1)C(=O)CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1
Show InChI InChI=1S/C21H26N4O3/c1-25(15-6-3-2-4-7-15)19(26)8-5-11-28-16-9-10-17-14(12-16)13-18-20(22-17)24-21(27)23-18/h9-10,12-13,15H,2-8,11H2,1H3,(H2,22,23,24,27)
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n/an/an/an/a 7n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation using adenosine diphosphate (ADP) as activating agent in human platelet rich plasma (PRP)


J Med Chem 35: 2672-87 (1992)


Article DOI: 10.1021/jm00092a019
BindingDB Entry DOI: 10.7270/Q2513X52
More data for this
Ligand-Target Pair
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