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Compile Data Set for Download or QSAR

Found 80 hits Enz. Inhib. hit(s) with all data for entry = 50033238   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50341881
PNG
(2-methylthio-1-beta-D-ribofuranosylpyrimidine-4-on...)
Show SMILES CSc1nc(=O)ccn1[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H16N2O11P2S/c1-26-10-11-6(13)2-3-12(10)9-8(15)7(14)5(22-9)4-21-25(19,20)23-24(16,17)18/h2-3,5,7-9,14-15H,4H2,1H3,(H,19,20)(H2,16,17,18)/t5-,7-,8-,9-/m1/s1
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n/an/an/an/a 523n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50341880
PNG
(((2R,3S,4R,5R)-3,4-dihydroxy-5-(2-oxo-4-thioxo-3,4...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc(=S)[nH]c1=O |r|
Show InChI InChI=1S/C9H15N2O14P3S/c12-6-4(3-22-27(18,19)25-28(20,21)24-26(15,16)17)23-8(7(6)13)11-2-1-5(29)10-9(11)14/h1-2,4,6-8,12-13H,3H2,(H,18,19)(H,20,21)(H,10,14,29)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1
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n/an/an/an/a 26n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50341883
PNG
(2-benzylthio-1-beta-D-ribofuranosylpyrimidine-4-on...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)nc1SCc1ccccc1 |r|
Show InChI InChI=1S/C16H20N2O11P2S/c19-12-6-7-18(16(17-12)32-9-10-4-2-1-3-5-10)15-14(21)13(20)11(28-15)8-27-31(25,26)29-30(22,23)24/h1-7,11,13-15,20-21H,8-9H2,(H,25,26)(H2,22,23,24)/t11-,13-,14-,15-/m1/s1
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n/an/an/an/a 6.20E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50341896
PNG
(CHEMBL1765114 | dichloro(((((2R,3S,4R,5R)-5-(2,4-d...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H15Cl2N2O14P3/c11-10(12,29(19,20)21)30(22,23)28-31(24,25)26-3-4-6(16)7(17)8(27-4)14-2-1-5(15)13-9(14)18/h1-2,4,6-8,16-17H,3H2,(H,22,23)(H,24,25)(H,13,15,18)(H2,19,20,21)/t4-,6-,7-,8-/m1/s1
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n/an/an/an/a 612n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50341882
PNG
(2-propylthio-1-beta-D-ribofuranosylpyramidine-4-on...)
Show SMILES CCCSc1nc(=O)ccn1[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C12H20N2O11P2S/c1-2-5-28-12-13-8(15)3-4-14(12)11-10(17)9(16)7(24-11)6-23-27(21,22)25-26(18,19)20/h3-4,7,9-11,16-17H,2,5-6H2,1H3,(H,21,22)(H2,18,19,20)/t7-,9-,10-,11-/m1/s1
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n/an/an/an/a 1.20E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50341897
PNG
(3-Phenacyl-5'-uridylic Acid(1,1-Chloro-1-phosphono...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)n1ccc(=O)n(CC(=O)c2ccccc2)c1=O |r|
Show InChI InChI=1S/C18H21Cl2N2O15P3/c19-18(20,38(28,29)30)39(31,32)37-40(33,34)35-9-12-14(25)15(26)16(36-12)21-7-6-13(24)22(17(21)27)8-11(23)10-4-2-1-3-5-10/h1-7,12,14-16,25-26H,8-9H2,(H,31,32)(H,33,34)(H2,28,29,30)/t12-,14-,15-,16-/m1/s1
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n/an/an/an/a 826n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50341885
PNG
(2-methoxy-1-beta-D-ribofuranosylpyrimidine-4-one-5...)
Show SMILES COc1nc(=O)ccn1[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H16N2O12P2/c1-21-10-11-6(13)2-3-12(10)9-8(15)7(14)5(23-9)4-22-26(19,20)24-25(16,17)18/h2-3,5,7-9,14-15H,4H2,1H3,(H,19,20)(H2,16,17,18)/t5-,7-,8-,9-/m1/s1
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n/an/an/an/a 907n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50341898
PNG
(4-Thio-5'-uridylic Acid(1,1-Chloro-1-phosphonometh...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)n1ccc(=S)[nH]c1=O |r|
Show InChI InChI=1S/C10H15Cl2N2O13P3S/c11-10(12,28(18,19)20)29(21,22)27-30(23,24)25-3-4-6(15)7(16)8(26-4)14-2-1-5(31)13-9(14)17/h1-2,4,6-8,15-16H,3H2,(H,21,22)(H,23,24)(H,13,17,31)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1
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n/an/an/an/a 1.81E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50341884
PNG
(2-phenylethylthio-1-beta-D-ribofuranosylpyrimidine...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)nc1SCCc1ccccc1 |r|
Show InChI InChI=1S/C17H22N2O11P2S/c20-13-6-8-19(17(18-13)33-9-7-11-4-2-1-3-5-11)16-15(22)14(21)12(29-16)10-28-32(26,27)30-31(23,24)25/h1-6,8,12,14-16,21-22H,7,9-10H2,(H,26,27)(H2,23,24,25)/t12-,14-,15-,16-/m1/s1
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n/an/an/an/a 544n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50341899
PNG
((((((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidi...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)C(F)(F)P(O)(O)=O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H15F2N2O14P3/c11-10(12,29(19,20)21)30(22,23)28-31(24,25)26-3-4-6(16)7(17)8(27-4)14-2-1-5(15)13-9(14)18/h1-2,4,6-8,16-17H,3H2,(H,22,23)(H,24,25)(H,13,15,18)(H2,19,20,21)/t4-,6-,7-,8-/m1/s1
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n/an/an/an/a 4.90E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50341887
PNG
(2-Methylamino-1-beta-D-ribofuranosylpyrimidine-4-o...)
Show SMILES CNc1nc(=O)ccn1[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H17N3O11P2/c1-11-10-12-6(14)2-3-13(10)9-8(16)7(15)5(23-9)4-22-26(20,21)24-25(17,18)19/h2-3,5,7-9,15-16H,4H2,1H3,(H,20,21)(H,11,12,14)(H2,17,18,19)/t5-,7-,8-,9-/m1/s1
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n/an/an/an/a 7.60E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50341900
PNG
(3-Phenacyl-5'-uridylic Acid(1,1-Difluoro-1-phospho...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)C(F)(F)P(O)(O)=O)n1ccc(=O)n(CC(=O)c2ccccc2)c1=O |r|
Show InChI InChI=1S/C18H21F2N2O15P3/c19-18(20,38(28,29)30)39(31,32)37-40(33,34)35-9-12-14(25)15(26)16(36-12)21-7-6-13(24)22(17(21)27)8-11(23)10-4-2-1-3-5-10/h1-7,12,14-16,25-26H,8-9H2,(H,31,32)(H,33,34)(H2,28,29,30)/t12-,14-,15-,16-/m1/s1
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n/an/an/an/a 1.20E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50341886
PNG
(2-amino-1-beta-D-ribofuranosylpyrimidine-4-one-5'-...)
Show SMILES Nc1nc(=O)ccn1[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C9H15N3O11P2/c10-9-11-5(13)1-2-12(9)8-7(15)6(14)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,14-15H,3H2,(H,19,20)(H2,10,11,13)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
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n/an/an/an/a 604n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50341901
PNG
(4-Thio-5'-uridylic Acid(1,1-Difluoro-1-phosphonome...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)C(F)(F)P(O)(O)=O)n1ccc(=S)[nH]c1=O |r|
Show InChI InChI=1S/C10H15F2N2O13P3S/c11-10(12,28(18,19)20)29(21,22)27-30(23,24)25-3-4-6(15)7(16)8(26-4)14-2-1-5(31)13-9(14)17/h1-2,4,6-8,15-16H,3H2,(H,21,22)(H,23,24)(H,13,17,31)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1
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n/an/an/an/a 134n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50341893
PNG
(((2R,3S,4R,5R)-5-(2-amino-4-oxopyrimidin-1(4H)-yl)...)
Show SMILES Nc1nc(=O)ccn1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C9H14N3O8P/c10-9-11-5(13)1-2-12(9)8-7(15)6(14)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,14-15H,3H2,(H2,10,11,13)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50118213
PNG
(5'-UTP | CHEMBL336296 | H4utp | UTP | uridine 5'-(...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
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n/an/an/an/a 18n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50341888
PNG
(2-Methylthio-1-beta-D-ribofuranosylpyrimidine-4-on...)
Show SMILES CSc1nc(=O)ccn1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H15N2O8PS/c1-22-10-11-6(13)2-3-12(10)9-8(15)7(14)5(20-9)4-19-21(16,17)18/h2-3,5,7-9,14-15H,4H2,1H3,(H2,16,17,18)/t5-,7-,8-,9-/m1/s1
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n/an/an/an/a 2.90E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50341902
PNG
(5-Bromo-1-beta-D-ribofuranosyl(3H)pyrimidine-2,4-d...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(=O)Nc1ccccc1)n1cc(Br)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C15H19BrN3O14P3/c16-9-6-19(15(23)17-13(9)22)14-12(21)11(20)10(31-14)7-30-35(26,27)33-36(28,29)32-34(24,25)18-8-4-2-1-3-5-8/h1-6,10-12,14,20-21H,7H2,(H,26,27)(H,28,29)(H,17,22,23)(H2,18,24,25)/t10-,11-,12-,14-/m1/s1
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n/an/an/an/a 1.80E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50341890
PNG
(2-Propylthio-1-beta-D-ribofuranosylpyrimidine-4-on...)
Show SMILES CCCSc1nc(=O)ccn1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C12H19N2O8PS/c1-2-5-24-12-13-8(15)3-4-14(12)11-10(17)9(16)7(22-11)6-21-23(18,19)20/h3-4,7,9-11,16-17H,2,5-6H2,1H3,(H2,18,19,20)/t7-,9-,10-,11-/m1/s1
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n/an/an/an/a 4.80E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50341889
PNG
(2-Ethylthio-1-beta-D-ribofuranosylpyrimidine-4-one...)
Show SMILES CCSc1nc(=O)ccn1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C11H17N2O8PS/c1-2-23-11-12-7(14)3-4-13(11)10-9(16)8(15)6(21-10)5-20-22(17,18)19/h3-4,6,8-10,15-16H,2,5H2,1H3,(H2,17,18,19)/t6-,8-,9-,10-/m1/s1
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n/an/an/an/a 1.50E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50341891
PNG
(2-Phenylethylthio-1-beta-D-ribofuranosylpyrimidine...)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)nc1SCCc1ccccc1 |r|
Show InChI InChI=1S/C17H21N2O8PS/c20-13-6-8-19(17(18-13)29-9-7-11-4-2-1-3-5-11)16-15(22)14(21)12(27-16)10-26-28(23,24)25/h1-6,8,12,14-16,21-22H,7,9-10H2,(H2,23,24,25)/t12-,14-,15-,16-/m1/s1
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n/an/an/an/a 1.30E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50341904
PNG
(CHEMBL1767407 | [P(1)-(uridine 5')-P(4)-(2'-deoxyc...)
Show SMILES Nc1ccn([C@H]2C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3ccc(=O)[nH]c3=O)O2)c(=O)n1 |r|
Show InChI InChI=1S/C18H27N5O21P4/c19-11-1-3-22(17(28)20-11)13-5-8(24)9(40-13)6-38-45(30,31)42-47(34,35)44-48(36,37)43-46(32,33)39-7-10-14(26)15(27)16(41-10)23-4-2-12(25)21-18(23)29/h1-4,8-10,13-16,24,26-27H,5-7H2,(H,30,31)(H,32,33)(H,34,35)(H,36,37)(H2,19,20,28)(H,21,25,29)/p-4/t8-,9+,10+,13+,14+,15+,16+/m0/s1
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n/an/an/an/a 200n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at P2Y2 receptor


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50341894
PNG
(((2R,3S,4R,5R)-3,4-dihydroxy-5-(2-(methylamino)-4-...)
Show SMILES CNc1nc(=O)ccn1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H16N3O8P/c1-11-10-12-6(14)2-3-13(10)9-8(16)7(15)5(21-9)4-20-22(17,18)19/h2-3,5,7-9,15-16H,4H2,1H3,(H,11,12,14)(H2,17,18,19)/t5-,7-,8-,9-/m1/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
P2Y purinoceptor 4


(Homo sapiens (Human))
BDBM50341880
PNG
(((2R,3S,4R,5R)-3,4-dihydroxy-5-(2-oxo-4-thioxo-3,4...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc(=S)[nH]c1=O |r|
Show InChI InChI=1S/C9H15N2O14P3S/c12-6-4(3-22-27(18,19)25-28(20,21)24-26(15,16)17)23-8(7(6)13)11-2-1-5(29)10-9(11)14/h1-2,4,6-8,12-13H,3H2,(H,18,19)(H,20,21)(H,10,14,29)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1
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n/an/an/an/a 23n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at P2Y4 receptor


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50341892
PNG
(2-Methoxy-1-beta-D-ribofuranosylpyrimidine-4-one-5...)
Show SMILES COc1nc(=O)ccn1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H15N2O9P/c1-19-10-11-6(13)2-3-12(10)9-8(15)7(14)5(21-9)4-20-22(16,17)18/h2-3,5,7-9,14-15H,4H2,1H3,(H2,16,17,18)/t5-,7-,8-,9-/m1/s1
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n/an/an/an/a 9.90E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50271187
PNG
(CHEMBL519835 | [dichloro({[({[(2R,3S,4R,5R)-3,4-di...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)n1ccc(=O)[nH]c1=S |r|
Show InChI InChI=1S/C10H15Cl2N2O13P3S/c11-10(12,28(18,19)20)29(21,22)27-30(23,24)25-3-4-6(16)7(17)8(26-4)14-2-1-5(15)13-9(14)31/h1-2,4,6-8,16-17H,3H2,(H,21,22)(H,23,24)(H,13,15,31)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1
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n/an/an/an/a 794n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50341879
PNG
(CHEMBL1767408 | Diquafosol)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C18H26N4O23P4/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(41-15)5-39-46(31,32)43-48(35,36)45-49(37,38)44-47(33,34)40-6-8-12(26)14(28)16(42-8)22-4-2-10(24)20-18(22)30/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,19,23,29)(H,20,24,30)/p-4/t7-,8-,11-,12-,13-,14-,15-,16-/m1/s1
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n/an/an/an/a 100n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at P2Y2 receptor


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50341895
PNG
(((2R,3S,4R,5R)-3,4-dihydroxy-5-(2-oxo-4-thioxo-3,4...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)n1ccc(=S)[nH]c1=O |r|
Show InChI InChI=1S/C9H13N2O8PS/c12-6-4(3-18-20(15,16)17)19-8(7(6)13)11-2-1-5(21)10-9(11)14/h1-2,4,6-8,12-13H,3H2,(H,10,14,21)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50118239
PNG
(CHEMBL130266 | UDP | Uridine diphosphate | uridine...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
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n/an/an/an/a 1.65E+4n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
P2Y purinoceptor 4


(Homo sapiens (Human))
BDBM50341879
PNG
(CHEMBL1767408 | Diquafosol)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C18H26N4O23P4/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(41-15)5-39-46(31,32)43-48(35,36)45-49(37,38)44-47(33,34)40-6-8-12(26)14(28)16(42-8)22-4-2-10(24)20-18(22)30/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,19,23,29)(H,20,24,30)/p-4/t7-,8-,11-,12-,13-,14-,15-,16-/m1/s1
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n/an/an/an/a 400n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at P2Y4 receptor


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))
BDBM50341879
PNG
(CHEMBL1767408 | Diquafosol)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C18H26N4O23P4/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(41-15)5-39-46(31,32)43-48(35,36)45-49(37,38)44-47(33,34)40-6-8-12(26)14(28)16(42-8)22-4-2-10(24)20-18(22)30/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,19,23,29)(H,20,24,30)/p-4/t7-,8-,11-,12-,13-,14-,15-,16-/m1/s1
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n/an/an/an/a 2.00E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at P2Y6 receptor


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
P2Y purinoceptor 4


(Homo sapiens (Human))
BDBM50341880
PNG
(((2R,3S,4R,5R)-3,4-dihydroxy-5-(2-oxo-4-thioxo-3,4...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc(=S)[nH]c1=O |r|
Show InChI InChI=1S/C9H15N2O14P3S/c12-6-4(3-22-27(18,19)25-28(20,21)24-26(15,16)17)23-8(7(6)13)11-2-1-5(29)10-9(11)14/h1-2,4,6-8,12-13H,3H2,(H,18,19)(H,20,21)(H,10,14,29)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1
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n/an/an/an/a 23n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y4 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
P2Y purinoceptor 4


(Homo sapiens (Human))
BDBM50118239
PNG
(CHEMBL130266 | UDP | Uridine diphosphate | uridine...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
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n/an/an/an/a 1.40E+4n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y4 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
P2Y purinoceptor 4


(Homo sapiens (Human))
BDBM50118213
PNG
(5'-UTP | CHEMBL336296 | H4utp | UTP | uridine 5'-(...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
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n/an/an/an/a 88n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y4 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
P2Y purinoceptor 4


(Homo sapiens (Human))
BDBM50341881
PNG
(2-methylthio-1-beta-D-ribofuranosylpyrimidine-4-on...)
Show SMILES CSc1nc(=O)ccn1[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H16N2O11P2S/c1-26-10-11-6(13)2-3-12(10)9-8(15)7(14)5(22-9)4-21-25(19,20)23-24(16,17)18/h2-3,5,7-9,14-15H,4H2,1H3,(H,19,20)(H2,16,17,18)/t5-,7-,8-,9-/m1/s1
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n/an/an/an/a 1.52E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y4 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
P2Y purinoceptor 4


(Homo sapiens (Human))
BDBM50341882
PNG
(2-propylthio-1-beta-D-ribofuranosylpyramidine-4-on...)
Show SMILES CCCSc1nc(=O)ccn1[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C12H20N2O11P2S/c1-2-5-28-12-13-8(15)3-4-14(12)11-10(17)9(16)7(24-11)6-23-27(21,22)25-26(18,19)20/h3-4,7,9-11,16-17H,2,5-6H2,1H3,(H,21,22)(H2,18,19,20)/t7-,9-,10-,11-/m1/s1
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n/an/an/an/a 4.90E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y4 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
P2Y purinoceptor 4


(Homo sapiens (Human))
BDBM50341883
PNG
(2-benzylthio-1-beta-D-ribofuranosylpyrimidine-4-on...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)nc1SCc1ccccc1 |r|
Show InChI InChI=1S/C16H20N2O11P2S/c19-12-6-7-18(16(17-12)32-9-10-4-2-1-3-5-10)15-14(21)13(20)11(28-15)8-27-31(25,26)29-30(22,23)24/h1-7,11,13-15,20-21H,8-9H2,(H,25,26)(H2,22,23,24)/t11-,13-,14-,15-/m1/s1
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n/an/an/an/a 5.98E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y4 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
P2Y purinoceptor 4


(Homo sapiens (Human))
BDBM50341885
PNG
(2-methoxy-1-beta-D-ribofuranosylpyrimidine-4-one-5...)
Show SMILES COc1nc(=O)ccn1[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H16N2O12P2/c1-21-10-11-6(13)2-3-12(10)9-8(15)7(14)5(23-9)4-22-26(19,20)24-25(16,17)18/h2-3,5,7-9,14-15H,4H2,1H3,(H,19,20)(H2,16,17,18)/t5-,7-,8-,9-/m1/s1
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n/an/an/an/a 4.49E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y4 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
P2Y purinoceptor 4


(Homo sapiens (Human))
BDBM50341888
PNG
(2-Methylthio-1-beta-D-ribofuranosylpyrimidine-4-on...)
Show SMILES CSc1nc(=O)ccn1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H15N2O8PS/c1-22-10-11-6(13)2-3-12(10)9-8(15)7(14)5(20-9)4-19-21(16,17)18/h2-3,5,7-9,14-15H,4H2,1H3,(H2,16,17,18)/t5-,7-,8-,9-/m1/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y4 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
P2Y purinoceptor 4


(Homo sapiens (Human))
BDBM50341889
PNG
(2-Ethylthio-1-beta-D-ribofuranosylpyrimidine-4-one...)
Show SMILES CCSc1nc(=O)ccn1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C11H17N2O8PS/c1-2-23-11-12-7(14)3-4-13(11)10-9(16)8(15)6(21-10)5-20-22(17,18)19/h3-4,6,8-10,15-16H,2,5H2,1H3,(H2,17,18,19)/t6-,8-,9-,10-/m1/s1
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n/an/an/an/a 4.33E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y4 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
P2Y purinoceptor 4


(Homo sapiens (Human))
BDBM50341890
PNG
(2-Propylthio-1-beta-D-ribofuranosylpyrimidine-4-on...)
Show SMILES CCCSc1nc(=O)ccn1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C12H19N2O8PS/c1-2-5-24-12-13-8(15)3-4-14(12)11-10(17)9(16)7(22-11)6-21-23(18,19)20/h3-4,7,9-11,16-17H,2,5-6H2,1H3,(H2,18,19,20)/t7-,9-,10-,11-/m1/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y4 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
P2Y purinoceptor 4


(Homo sapiens (Human))
BDBM50341903
PNG
(2-Benzylthio-1-beta-D-ribofuranosylpyrimidine-4-on...)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)nc1SCc1ccccc1 |r|
Show InChI InChI=1S/C16H19N2O8PS/c19-12-6-7-18(16(17-12)28-9-10-4-2-1-3-5-10)15-14(21)13(20)11(26-15)8-25-27(22,23)24/h1-7,11,13-15,20-21H,8-9H2,(H2,22,23,24)/t11-,13-,14-,15-/m1/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y4 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
P2Y purinoceptor 4


(Homo sapiens (Human))
BDBM50341891
PNG
(2-Phenylethylthio-1-beta-D-ribofuranosylpyrimidine...)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)nc1SCCc1ccccc1 |r|
Show InChI InChI=1S/C17H21N2O8PS/c20-13-6-8-19(17(18-13)29-9-7-11-4-2-1-3-5-11)16-15(22)14(21)12(27-16)10-26-28(23,24)25/h1-6,8,12,14-16,21-22H,7,9-10H2,(H2,23,24,25)/t12-,14-,15-,16-/m1/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y4 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
P2Y purinoceptor 4


(Homo sapiens (Human))
BDBM50341892
PNG
(2-Methoxy-1-beta-D-ribofuranosylpyrimidine-4-one-5...)
Show SMILES COc1nc(=O)ccn1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H15N2O9P/c1-19-10-11-6(13)2-3-12(10)9-8(15)7(14)5(21-9)4-20-22(16,17)18/h2-3,5,7-9,14-15H,4H2,1H3,(H2,16,17,18)/t5-,7-,8-,9-/m1/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y4 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
P2Y purinoceptor 4


(Homo sapiens (Human))
BDBM50341893
PNG
(((2R,3S,4R,5R)-5-(2-amino-4-oxopyrimidin-1(4H)-yl)...)
Show SMILES Nc1nc(=O)ccn1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C9H14N3O8P/c10-9-11-5(13)1-2-12(9)8-7(15)6(14)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,14-15H,3H2,(H2,10,11,13)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
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n/an/an/an/a 4.98E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y4 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
P2Y purinoceptor 4


(Homo sapiens (Human))
BDBM50341894
PNG
(((2R,3S,4R,5R)-3,4-dihydroxy-5-(2-(methylamino)-4-...)
Show SMILES CNc1nc(=O)ccn1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H16N3O8P/c1-11-10-12-6(14)2-3-13(10)9-8(16)7(15)5(21-9)4-20-22(17,18)19/h2-3,5,7-9,15-16H,4H2,1H3,(H,11,12,14)(H2,17,18,19)/t5-,7-,8-,9-/m1/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y4 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
P2Y purinoceptor 4


(Homo sapiens (Human))
BDBM50341895
PNG
(((2R,3S,4R,5R)-3,4-dihydroxy-5-(2-oxo-4-thioxo-3,4...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)n1ccc(=S)[nH]c1=O |r|
Show InChI InChI=1S/C9H13N2O8PS/c12-6-4(3-18-20(15,16)17)19-8(7(6)13)11-2-1-5(21)10-9(11)14/h1-2,4,6-8,12-13H,3H2,(H,10,14,21)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y4 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
P2Y purinoceptor 4


(Homo sapiens (Human))
BDBM50341897
PNG
(3-Phenacyl-5'-uridylic Acid(1,1-Chloro-1-phosphono...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)n1ccc(=O)n(CC(=O)c2ccccc2)c1=O |r|
Show InChI InChI=1S/C18H21Cl2N2O15P3/c19-18(20,38(28,29)30)39(31,32)37-40(33,34)35-9-12-14(25)15(26)16(36-12)21-7-6-13(24)22(17(21)27)8-11(23)10-4-2-1-3-5-10/h1-7,12,14-16,25-26H,8-9H2,(H,31,32)(H,33,34)(H2,28,29,30)/t12-,14-,15-,16-/m1/s1
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n/an/an/an/a 7.30E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y4 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
P2Y purinoceptor 4


(Homo sapiens (Human))
BDBM50271187
PNG
(CHEMBL519835 | [dichloro({[({[(2R,3S,4R,5R)-3,4-di...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)n1ccc(=O)[nH]c1=S |r|
Show InChI InChI=1S/C10H15Cl2N2O13P3S/c11-10(12,28(18,19)20)29(21,22)27-30(23,24)25-3-4-6(16)7(17)8(26-4)14-2-1-5(15)13-9(14)31/h1-2,4,6-8,16-17H,3H2,(H,21,22)(H,23,24)(H,13,15,31)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1
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n/an/an/an/a 3.85E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y4 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
P2Y purinoceptor 4


(Homo sapiens (Human))
BDBM50341898
PNG
(4-Thio-5'-uridylic Acid(1,1-Chloro-1-phosphonometh...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)n1ccc(=S)[nH]c1=O |r|
Show InChI InChI=1S/C10H15Cl2N2O13P3S/c11-10(12,28(18,19)20)29(21,22)27-30(23,24)25-3-4-6(15)7(16)8(26-4)14-2-1-5(31)13-9(14)17/h1-2,4,6-8,15-16H,3H2,(H,21,22)(H,23,24)(H,13,17,31)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1
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n/an/an/an/a 7.87E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y4 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
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