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PubMed code 24712832

Compile data set for download or QSAR
Found 66 hits of Enzyme Inhibition Constant Data   
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 P2Y2


(Homo sapiens (Human))
BDBM50012958
PNG
(CHEMBL3261362)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCc2cccc(F)c2)[nH]c1=O
Show InChI InChI=1/C18H25FN3O15P3/c19-12-5-1-3-11(9-12)4-2-8-33-21-14-6-7-22(18(25)20-14)17-16(24)15(23)13(35-17)10-34-39(29,30)37-40(31,32)36-38(26,27)28/h1,3,5-7,9,13,15-17,23-24H,2,4,8,10H2,(H,29,30)(H,31,32)(H,20,21,25)(H2,26,27,28)/t13-,15-,16-,17-/s2
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n/an/an/an/a 190n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y4


(Homo sapiens (Human))
BDBM50012958
PNG
(CHEMBL3261362)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCc2cccc(F)c2)[nH]c1=O
Show InChI InChI=1/C18H25FN3O15P3/c19-12-5-1-3-11(9-12)4-2-8-33-21-14-6-7-22(18(25)20-14)17-16(24)15(23)13(35-17)10-34-39(29,30)37-40(31,32)36-38(26,27)28/h1,3,5-7,9,13,15-17,23-24H,2,4,8,10H2,(H,29,30)(H,31,32)(H,20,21,25)(H2,26,27,28)/t13-,15-,16-,17-/s2
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n/an/an/an/a 100n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y6


(Homo sapiens (Human))
BDBM50012972
PNG
(CHEMBL3261363)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCc2ccc(F)cc2)[nH]c1=O
Show InChI InChI=1/C18H25FN3O15P3/c19-12-5-3-11(4-6-12)2-1-9-33-21-14-7-8-22(18(25)20-14)17-16(24)15(23)13(35-17)10-34-39(29,30)37-40(31,32)36-38(26,27)28/h3-8,13,15-17,23-24H,1-2,9-10H2,(H,29,30)(H,31,32)(H,20,21,25)(H2,26,27,28)/t13-,15-,16-,17-/s2
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n/an/an/an/a 1.21E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as stimulation of [3H]inositol phosphate accumulation by liquid scin...


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y6


(Homo sapiens (Human))
BDBM50012974
PNG
(CHEMBL3261365)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCc2cccc(I)c2)[nH]c1=O
Show InChI InChI=1/C18H25IN3O15P3/c19-12-5-1-3-11(9-12)4-2-8-33-21-14-6-7-22(18(25)20-14)17-16(24)15(23)13(35-17)10-34-39(29,30)37-40(31,32)36-38(26,27)28/h1,3,5-7,9,13,15-17,23-24H,2,4,8,10H2,(H,29,30)(H,31,32)(H,20,21,25)(H2,26,27,28)/t13-,15-,16-,17-/s2
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n/an/an/an/a 299n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as stimulation of [3H]inositol phosphate accumulation by liquid scin...


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y6


(Homo sapiens (Human))
BDBM50012976
PNG
(CHEMBL3261367)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCc2cccc(c2)[N+]([O-])=O)[nH]c1=O
Show InChI InChI=1/C18H25N4O17P3/c23-15-13(10-36-41(31,32)39-42(33,34)38-40(28,29)30)37-17(16(15)24)21-7-6-14(19-18(21)25)20-35-8-2-4-11-3-1-5-12(9-11)22(26)27/h1,3,5-7,9,13,15-17,23-24H,2,4,8,10H2,(H,31,32)(H,33,34)(H,19,20,25)(H2,28,29,30)/t13-,15-,16-,17-/s2
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n/an/an/an/a 9.70E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as stimulation of [3H]inositol phosphate accumulation by liquid scin...


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50013031
PNG
(CHEMBL3261380)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cc\c(=N\OCCCc3ccccc3)[nH]c2=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCc2ccccc2)[nH]c1=O
Show InChI InChI=1/C36H48N6O23P4/c43-29-25(61-33(31(29)45)41-17-15-27(37-35(41)47)39-57-19-7-13-23-9-3-1-4-10-23)21-59-66(49,50)63-68(53,54)65-69(55,56)64-67(51,52)60-22-26-30(44)32(46)34(62-26)42-18-16-28(38-36(42)48)40-58-20-8-14-24-11-5-2-6-12-24/h1-6,9-12,15-18,25-26,29-34,43-46H,7-8,13-14,19-22H2,(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,37,39,47)(H,38,40,48)/t25-,26-,29-,30-,31-,32-,33-,34-/s2
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n/an/an/an/a>1.00E+4n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y6


(Homo sapiens (Human))
BDBM50013030
PNG
(CHEMBL3261379)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cc\c(=N\OCCCc3ccccc3)[nH]c2=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1/C27H37N5O23P4/c33-19-9-11-32(27(39)29-19)25-23(37)21(35)17(52-25)14-50-57(42,43)54-59(46,47)55-58(44,45)53-56(40,41)49-13-16-20(34)22(36)24(51-16)31-10-8-18(28-26(31)38)30-48-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,16-17,20-25,34-37H,4,7,12-14H2,(H,40,41)(H,42,43)(H,44,45)(H,46,47)(H,28,30,38)(H,29,33,39)/t16-,17-,20-,21-,22-,23-,24-,25-/s2
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n/an/an/an/a 332n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells by functional assay


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y6


(Homo sapiens (Human))
BDBM50013031
PNG
(CHEMBL3261380)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cc\c(=N\OCCCc3ccccc3)[nH]c2=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCc2ccccc2)[nH]c1=O
Show InChI InChI=1/C36H48N6O23P4/c43-29-25(61-33(31(29)45)41-17-15-27(37-35(41)47)39-57-19-7-13-23-9-3-1-4-10-23)21-59-66(49,50)63-68(53,54)65-69(55,56)64-67(51,52)60-22-26-30(44)32(46)34(62-26)42-18-16-28(38-36(42)48)40-58-20-8-14-24-11-5-2-6-12-24/h1-6,9-12,15-18,25-26,29-34,43-46H,7-8,13-14,19-22H2,(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,37,39,47)(H,38,40,48)/t25-,26-,29-,30-,31-,32-,33-,34-/s2
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n/an/an/an/a>1.00E+4n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells by functional assay


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50012972
PNG
(CHEMBL3261363)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCc2ccc(F)cc2)[nH]c1=O
Show InChI InChI=1/C18H25FN3O15P3/c19-12-5-3-11(4-6-12)2-1-9-33-21-14-7-8-22(18(25)20-14)17-16(24)15(23)13(35-17)10-34-39(29,30)37-40(31,32)36-38(26,27)28/h3-8,13,15-17,23-24H,1-2,9-10H2,(H,29,30)(H,31,32)(H,20,21,25)(H2,26,27,28)/t13-,15-,16-,17-/s2
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n/an/an/an/a 547n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50013009
PNG
(CHEMBL3261371)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCc2ccncc2)[nH]c1=O
Show InChI InChI=1/C17H25N4O15P3/c22-14-12(10-33-38(28,29)36-39(30,31)35-37(25,26)27)34-16(15(14)23)21-8-5-13(19-17(21)24)20-32-9-1-2-11-3-6-18-7-4-11/h3-8,12,14-16,22-23H,1-2,9-10H2,(H,28,29)(H,30,31)(H,19,20,24)(H2,25,26,27)/t12-,14-,15-,16-/s2
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n/an/an/an/a 285n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y6


(Homo sapiens (Human))
BDBM50013014
PNG
(CHEMBL3261376)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCc2ccc(OCC(=O)NCCC#C)cc2)[nH]c1=O
Show InChI InChI=1/C24H33N4O17P3/c1-2-3-11-25-20(29)15-40-17-8-6-16(7-9-17)5-4-13-41-27-19-10-12-28(24(32)26-19)23-22(31)21(30)18(43-23)14-42-47(36,37)45-48(38,39)44-46(33,34)35/h1,6-10,12,18,21-23,30-31H,3-5,11,13-15H2,(H,25,29)(H,36,37)(H,38,39)(H,26,27,32)(H2,33,34,35)/t18-,21-,22-,23-/s2
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n/an/an/an/a 183n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as stimulation of [3H]inositol phosphate accumulation by liquid scin...


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y4


(Homo sapiens (Human))
BDBM50013031
PNG
(CHEMBL3261380)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cc\c(=N\OCCCc3ccccc3)[nH]c2=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCc2ccccc2)[nH]c1=O
Show InChI InChI=1/C36H48N6O23P4/c43-29-25(61-33(31(29)45)41-17-15-27(37-35(41)47)39-57-19-7-13-23-9-3-1-4-10-23)21-59-66(49,50)63-68(53,54)65-69(55,56)64-67(51,52)60-22-26-30(44)32(46)34(62-26)42-18-16-28(38-36(42)48)40-58-20-8-14-24-11-5-2-6-12-24/h1-6,9-12,15-18,25-26,29-34,43-46H,7-8,13-14,19-22H2,(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,37,39,47)(H,38,40,48)/t25-,26-,29-,30-,31-,32-,33-,34-/s2
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n/an/an/an/a 1.33E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y4 receptor expressed in human 1321N1 cells by functional assay


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50012953
PNG
(CHEMBL3261359)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCC(O)=O)[nH]c1=O
Show InChI InChI=1/C13H22N3O17P3/c17-9(18)2-1-5-29-15-8-3-4-16(13(21)14-8)12-11(20)10(19)7(31-12)6-30-35(25,26)33-36(27,28)32-34(22,23)24/h3-4,7,10-12,19-20H,1-2,5-6H2,(H,17,18)(H,25,26)(H,27,28)(H,14,15,21)(H2,22,23,24)/t7-,10-,11-,12-/s2
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n/an/an/an/a 299n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50013014
PNG
(CHEMBL3261376)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCc2ccc(OCC(=O)NCCC#C)cc2)[nH]c1=O
Show InChI InChI=1/C24H33N4O17P3/c1-2-3-11-25-20(29)15-40-17-8-6-16(7-9-17)5-4-13-41-27-19-10-12-28(24(32)26-19)23-22(31)21(30)18(43-23)14-42-47(36,37)45-48(38,39)44-46(33,34)35/h1,6-10,12,18,21-23,30-31H,3-5,11,13-15H2,(H,25,29)(H,36,37)(H,38,39)(H,26,27,32)(H2,33,34,35)/t18-,21-,22-,23-/s2
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n/an/an/an/a 109n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y4


(Homo sapiens (Human))
BDBM50012955
PNG
(CHEMBL3261361)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCOc2ccccc2)[nH]c1=O
Show InChI InChI=1/C17H24N3O16P3/c21-14-12(10-33-38(27,28)36-39(29,30)35-37(24,25)26)34-16(15(14)22)20-7-6-13(18-17(20)23)19-32-9-8-31-11-4-2-1-3-5-11/h1-7,12,14-16,21-22H,8-10H2,(H,27,28)(H,29,30)(H,18,19,23)(H2,24,25,26)/t12-,14-,15-,16-/s2
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n/an/an/an/a 430n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y4


(Homo sapiens (Human))
BDBM50012973
PNG
(CHEMBL3261364)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCc2ccc(Br)cc2)[nH]c1=O
Show InChI InChI=1/C18H25BrN3O15P3/c19-12-5-3-11(4-6-12)2-1-9-33-21-14-7-8-22(18(25)20-14)17-16(24)15(23)13(35-17)10-34-39(29,30)37-40(31,32)36-38(26,27)28/h3-8,13,15-17,23-24H,1-2,9-10H2,(H,29,30)(H,31,32)(H,20,21,25)(H2,26,27,28)/t13-,15-,16-,17-/s2
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n/an/an/an/a 141n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y4


(Homo sapiens (Human))
BDBM50012978
PNG
(CHEMBL3261369)
Show SMILES COc1ccc(CCCO\N=c2\ccn([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c(=O)[nH]2)cc1
Show InChI InChI=1/C19H28N3O16P3/c1-33-13-6-4-12(5-7-13)3-2-10-34-21-15-8-9-22(19(25)20-15)18-17(24)16(23)14(36-18)11-35-40(29,30)38-41(31,32)37-39(26,27)28/h4-9,14,16-18,23-24H,2-3,10-11H2,1H3,(H,29,30)(H,31,32)(H,20,21,25)(H2,26,27,28)/t14-,16-,17-,18-/s2
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n/an/an/an/a 23n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y4


(Homo sapiens (Human))
BDBM50013009
PNG
(CHEMBL3261371)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCc2ccncc2)[nH]c1=O
Show InChI InChI=1/C17H25N4O15P3/c22-14-12(10-33-38(28,29)36-39(30,31)35-37(25,26)27)34-16(15(14)23)21-8-5-13(19-17(21)24)20-32-9-1-2-11-3-6-18-7-4-11/h3-8,12,14-16,22-23H,1-2,9-10H2,(H,28,29)(H,30,31)(H,19,20,24)(H2,25,26,27)/t12-,14-,15-,16-/s2
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n/an/an/an/a 250n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y4


(Homo sapiens (Human))
BDBM50013013
PNG
(CHEMBL3261375)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCC(C#N)(c2ccccc2)c2ccccc2)[nH]c1=O
Show InChI InChI=1/C25H29N4O15P3/c26-16-25(17-7-3-1-4-8-17,18-9-5-2-6-10-18)12-14-40-28-20-11-13-29(24(32)27-20)23-22(31)21(30)19(42-23)15-41-46(36,37)44-47(38,39)43-45(33,34)35/h1-11,13,19,21-23,30-31H,12,14-15H2,(H,36,37)(H,38,39)(H,27,28,32)(H2,33,34,35)/t19-,21-,22-,23-/s2
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n/an/an/an/a 47n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y4


(Homo sapiens (Human))
BDBM50013029
PNG
(CHEMBL3261378)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCc2ccc(OCC(=O)NCCc3cn(CCCNC(=O)CCCCCNC(=O)COc4ccc(\C=C\c5ccc6C=C7C=CC(c8cccs8)=[N+]7[B-](F)(F)n56)cc4)nn3)cc2)[nH]c1=O
Show InChI InChI=1/C56H67BF2N11O20P3S/c58-57(59)69-41(16-17-42(69)33-43-18-23-46(70(43)57)48-8-5-32-94-48)15-10-39-13-21-45(22-14-39)84-36-51(72)61-26-3-1-2-9-50(71)60-27-6-29-67-34-40(64-66-67)24-28-62-52(73)37-85-44-19-11-38(12-20-44)7-4-31-86-65-49-25-30-68(56(76)63-49)55-54(75)53(74)47(88-55)35-87-92(80,81)90-93(82,83)89-91(77,78)79/h5,8,10-23,25,30,32-34,47,53-55,74-75H,1-4,6-7,9,24,26-29,31,35-37H2,(H,60,71)(H,61,72)(H,62,73)(H,80,81)(H,82,83)(H,63,65,76)(H2,77,78,79)/b15-10+/t47-,53-,54-,55-/s2
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n/an/an/an/a 70n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y6


(Homo sapiens (Human))
BDBM50012973
PNG
(CHEMBL3261364)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCc2ccc(Br)cc2)[nH]c1=O
Show InChI InChI=1/C18H25BrN3O15P3/c19-12-5-3-11(4-6-12)2-1-9-33-21-14-7-8-22(18(25)20-14)17-16(24)15(23)13(35-17)10-34-39(29,30)37-40(31,32)36-38(26,27)28/h3-8,13,15-17,23-24H,1-2,9-10H2,(H,29,30)(H,31,32)(H,20,21,25)(H2,26,27,28)/t13-,15-,16-,17-/s2
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n/an/an/an/a 225n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as stimulation of [3H]inositol phosphate accumulation by liquid scin...


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50013012
PNG
(CHEMBL3261374)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCc2ccc3ccccc3c2)[nH]c1=O
Show InChI InChI=1/C22H28N3O15P3/c26-19-17(13-37-42(32,33)40-43(34,35)39-41(29,30)31)38-21(20(19)27)25-10-9-18(23-22(25)28)24-36-11-3-4-14-7-8-15-5-1-2-6-16(15)12-14/h1-2,5-10,12,17,19-21,26-27H,3-4,11,13H2,(H,32,33)(H,34,35)(H,23,24,28)(H2,29,30,31)/t17-,19-,20-,21-/s2
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n/an/an/an/a 139n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y4


(Homo sapiens (Human))
BDBM50012953
PNG
(CHEMBL3261359)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCC(O)=O)[nH]c1=O
Show InChI InChI=1/C13H22N3O17P3/c17-9(18)2-1-5-29-15-8-3-4-16(13(21)14-8)12-11(20)10(19)7(31-12)6-30-35(25,26)33-36(27,28)32-34(22,23)24/h3-4,7,10-12,19-20H,1-2,5-6H2,(H,17,18)(H,25,26)(H,27,28)(H,14,15,21)(H2,22,23,24)/t7-,10-,11-,12-/s2
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n/an/an/an/a 470n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y4


(Homo sapiens (Human))
BDBM50012972
PNG
(CHEMBL3261363)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCc2ccc(F)cc2)[nH]c1=O
Show InChI InChI=1/C18H25FN3O15P3/c19-12-5-3-11(4-6-12)2-1-9-33-21-14-7-8-22(18(25)20-14)17-16(24)15(23)13(35-17)10-34-39(29,30)37-40(31,32)36-38(26,27)28/h3-8,13,15-17,23-24H,1-2,9-10H2,(H,29,30)(H,31,32)(H,20,21,25)(H2,26,27,28)/t13-,15-,16-,17-/s2
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n/an/an/an/a 105n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y4


(Homo sapiens (Human))
BDBM50013011
PNG
(CHEMBL3261373)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCC#C)[nH]c1=O
Show InChI InChI=1/C14H22N3O15P3/c1-2-3-4-7-28-16-10-5-6-17(14(20)15-10)13-12(19)11(18)9(30-13)8-29-34(24,25)32-35(26,27)31-33(21,22)23/h1,5-6,9,11-13,18-19H,3-4,7-8H2,(H,24,25)(H,26,27)(H,15,16,20)(H2,21,22,23)/t9-,11-,12-,13-/s2
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n/an/an/an/a 410n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y6


(Homo sapiens (Human))
BDBM50012979
PNG
(CHEMBL3261370)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCc2cccnc2)[nH]c1=O
Show InChI InChI=1/C17H25N4O15P3/c22-14-12(10-33-38(28,29)36-39(30,31)35-37(25,26)27)34-16(15(14)23)21-7-5-13(19-17(21)24)20-32-8-2-4-11-3-1-6-18-9-11/h1,3,5-7,9,12,14-16,22-23H,2,4,8,10H2,(H,28,29)(H,30,31)(H,19,20,24)(H2,25,26,27)/t12-,14-,15-,16-/s2
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n/an/an/an/a 2.95E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as stimulation of [3H]inositol phosphate accumulation by liquid scin...


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y6


(Homo sapiens (Human))
BDBM50013009
PNG
(CHEMBL3261371)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCc2ccncc2)[nH]c1=O
Show InChI InChI=1/C17H25N4O15P3/c22-14-12(10-33-38(28,29)36-39(30,31)35-37(25,26)27)34-16(15(14)23)21-8-5-13(19-17(21)24)20-32-9-1-2-11-3-6-18-7-4-11/h3-8,12,14-16,22-23H,1-2,9-10H2,(H,28,29)(H,30,31)(H,19,20,24)(H2,25,26,27)/t12-,14-,15-,16-/s2
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n/an/an/an/a 4.28E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as stimulation of [3H]inositol phosphate accumulation by liquid scin...


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y6


(Homo sapiens (Human))
BDBM50013010
PNG
(CHEMBL3261372)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCc2ccsc2)[nH]c1=O
Show InChI InChI=1/C16H24N3O15P3S/c20-13-11(8-31-36(26,27)34-37(28,29)33-35(23,24)25)32-15(14(13)21)19-5-3-12(17-16(19)22)18-30-6-1-2-10-4-7-38-9-10/h3-5,7,9,11,13-15,20-21H,1-2,6,8H2,(H,26,27)(H,28,29)(H,17,18,22)(H2,23,24,25)/t11-,13-,14-,15-/s2
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n/an/an/an/a 164n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as stimulation of [3H]inositol phosphate accumulation by liquid scin...


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y6


(Homo sapiens (Human))
BDBM50013011
PNG
(CHEMBL3261373)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCC#C)[nH]c1=O
Show InChI InChI=1/C14H22N3O15P3/c1-2-3-4-7-28-16-10-5-6-17(14(20)15-10)13-12(19)11(18)9(30-13)8-29-34(24,25)32-35(26,27)31-33(21,22)23/h1,5-6,9,11-13,18-19H,3-4,7-8H2,(H,24,25)(H,26,27)(H,15,16,20)(H2,21,22,23)/t9-,11-,12-,13-/s2
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n/an/an/an/a 3.00E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as stimulation of [3H]inositol phosphate accumulation by liquid scin...


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y6


(Homo sapiens (Human))
BDBM50013012
PNG
(CHEMBL3261374)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCc2ccc3ccccc3c2)[nH]c1=O
Show InChI InChI=1/C22H28N3O15P3/c26-19-17(13-37-42(32,33)40-43(34,35)39-41(29,30)31)38-21(20(19)27)25-10-9-18(23-22(25)28)24-36-11-3-4-14-7-8-15-5-1-2-6-16(15)12-14/h1-2,5-10,12,17,19-21,26-27H,3-4,11,13H2,(H,32,33)(H,34,35)(H,23,24,28)(H2,29,30,31)/t17-,19-,20-,21-/s2
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n/an/an/an/a 90n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as stimulation of [3H]inositol phosphate accumulation by liquid scin...


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50012954
PNG
(CHEMBL3261360)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCCc2ccccc2)[nH]c1=O
Show InChI InChI=1/C19H28N3O15P3/c23-16-14(12-34-39(29,30)37-40(31,32)36-38(26,27)28)35-18(17(16)24)22-10-9-15(20-19(22)25)21-33-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,9-10,14,16-18,23-24H,4-5,8,11-12H2,(H,29,30)(H,31,32)(H,20,21,25)(H2,26,27,28)/t14-,16-,17-,18-/s2
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n/an/an/an/a 214n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50012955
PNG
(CHEMBL3261361)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCOc2ccccc2)[nH]c1=O
Show InChI InChI=1/C17H24N3O16P3/c21-14-12(10-33-38(27,28)36-39(29,30)35-37(24,25)26)34-16(15(14)22)20-7-6-13(18-17(20)23)19-32-9-8-31-11-4-2-1-3-5-11/h1-7,12,14-16,21-22H,8-10H2,(H,27,28)(H,29,30)(H,18,19,23)(H2,24,25,26)/t12-,14-,15-,16-/s2
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n/an/an/an/a 3.40E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y4


(Homo sapiens (Human))
BDBM50012974
PNG
(CHEMBL3261365)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCc2cccc(I)c2)[nH]c1=O
Show InChI InChI=1/C18H25IN3O15P3/c19-12-5-1-3-11(9-12)4-2-8-33-21-14-6-7-22(18(25)20-14)17-16(24)15(23)13(35-17)10-34-39(29,30)37-40(31,32)36-38(26,27)28/h1,3,5-7,9,13,15-17,23-24H,2,4,8,10H2,(H,29,30)(H,31,32)(H,20,21,25)(H2,26,27,28)/t13-,15-,16-,17-/s2
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n/an/an/an/a 114n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y4


(Homo sapiens (Human))
BDBM50012975
PNG
(CHEMBL3261366)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCc2ccc(I)cc2)[nH]c1=O
Show InChI InChI=1/C18H25IN3O15P3/c19-12-5-3-11(4-6-12)2-1-9-33-21-14-7-8-22(18(25)20-14)17-16(24)15(23)13(35-17)10-34-39(29,30)37-40(31,32)36-38(26,27)28/h3-8,13,15-17,23-24H,1-2,9-10H2,(H,29,30)(H,31,32)(H,20,21,25)(H2,26,27,28)/t13-,15-,16-,17-/s2
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n/an/an/an/a 91n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y4


(Homo sapiens (Human))
BDBM50012976
PNG
(CHEMBL3261367)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCc2cccc(c2)[N+]([O-])=O)[nH]c1=O
Show InChI InChI=1/C18H25N4O17P3/c23-15-13(10-36-41(31,32)39-42(33,34)38-40(28,29)30)37-17(16(15)24)21-7-6-14(19-18(21)25)20-35-8-2-4-11-3-1-5-12(9-11)22(26)27/h1,3,5-7,9,13,15-17,23-24H,2,4,8,10H2,(H,31,32)(H,33,34)(H,19,20,25)(H2,28,29,30)/t13-,15-,16-,17-/s2
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n/an/an/an/a 95n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y4


(Homo sapiens (Human))
BDBM50012977
PNG
(CHEMBL3261368)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCc2ccc(cc2)[N+]([O-])=O)[nH]c1=O
Show InChI InChI=1/C18H25N4O17P3/c23-15-13(10-36-41(31,32)39-42(33,34)38-40(28,29)30)37-17(16(15)24)21-8-7-14(19-18(21)25)20-35-9-1-2-11-3-5-12(6-4-11)22(26)27/h3-8,13,15-17,23-24H,1-2,9-10H2,(H,31,32)(H,33,34)(H,19,20,25)(H2,28,29,30)/t13-,15-,16-,17-/s2
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n/an/an/an/a 84n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y4


(Homo sapiens (Human))
BDBM50013010
PNG
(CHEMBL3261372)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCc2ccsc2)[nH]c1=O
Show InChI InChI=1/C16H24N3O15P3S/c20-13-11(8-31-36(26,27)34-37(28,29)33-35(23,24)25)32-15(14(13)21)19-5-3-12(17-16(19)22)18-30-6-1-2-10-4-7-38-9-10/h3-5,7,9,11,13-15,20-21H,1-2,6,8H2,(H,26,27)(H,28,29)(H,17,18,22)(H2,23,24,25)/t11-,13-,14-,15-/s2
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n/an/an/an/a 20n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y4


(Homo sapiens (Human))
BDBM50013014
PNG
(CHEMBL3261376)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCc2ccc(OCC(=O)NCCC#C)cc2)[nH]c1=O
Show InChI InChI=1/C24H33N4O17P3/c1-2-3-11-25-20(29)15-40-17-8-6-16(7-9-17)5-4-13-41-27-19-10-12-28(24(32)26-19)23-22(31)21(30)18(43-23)14-42-47(36,37)45-48(38,39)44-46(33,34)35/h1,6-10,12,18,21-23,30-31H,3-5,11,13-15H2,(H,25,29)(H,36,37)(H,38,39)(H,26,27,32)(H2,33,34,35)/t18-,21-,22-,23-/s2
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n/an/an/an/a 40n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y6


(Homo sapiens (Human))
BDBM50012958
PNG
(CHEMBL3261362)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCc2cccc(F)c2)[nH]c1=O
Show InChI InChI=1/C18H25FN3O15P3/c19-12-5-1-3-11(9-12)4-2-8-33-21-14-6-7-22(18(25)20-14)17-16(24)15(23)13(35-17)10-34-39(29,30)37-40(31,32)36-38(26,27)28/h1,3,5-7,9,13,15-17,23-24H,2,4,8,10H2,(H,29,30)(H,31,32)(H,20,21,25)(H2,26,27,28)/t13-,15-,16-,17-/s2
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n/an/an/an/a 539n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as stimulation of [3H]inositol phosphate accumulation by liquid scin...


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50012973
PNG
(CHEMBL3261364)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCc2ccc(Br)cc2)[nH]c1=O
Show InChI InChI=1/C18H25BrN3O15P3/c19-12-5-3-11(4-6-12)2-1-9-33-21-14-7-8-22(18(25)20-14)17-16(24)15(23)13(35-17)10-34-39(29,30)37-40(31,32)36-38(26,27)28/h3-8,13,15-17,23-24H,1-2,9-10H2,(H,29,30)(H,31,32)(H,20,21,25)(H2,26,27,28)/t13-,15-,16-,17-/s2
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n/an/an/an/a 350n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50012975
PNG
(CHEMBL3261366)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCc2ccc(I)cc2)[nH]c1=O
Show InChI InChI=1/C18H25IN3O15P3/c19-12-5-3-11(4-6-12)2-1-9-33-21-14-7-8-22(18(25)20-14)17-16(24)15(23)13(35-17)10-34-39(29,30)37-40(31,32)36-38(26,27)28/h3-8,13,15-17,23-24H,1-2,9-10H2,(H,29,30)(H,31,32)(H,20,21,25)(H2,26,27,28)/t13-,15-,16-,17-/s2
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n/an/an/an/a 187n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50012977
PNG
(CHEMBL3261368)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCc2ccc(cc2)[N+]([O-])=O)[nH]c1=O
Show InChI InChI=1/C18H25N4O17P3/c23-15-13(10-36-41(31,32)39-42(33,34)38-40(28,29)30)37-17(16(15)24)21-8-7-14(19-18(21)25)20-35-9-1-2-11-3-5-12(6-4-11)22(26)27/h3-8,13,15-17,23-24H,1-2,9-10H2,(H,31,32)(H,33,34)(H,19,20,25)(H2,28,29,30)/t13-,15-,16-,17-/s2
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n/an/an/an/a 458n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50013010
PNG
(CHEMBL3261372)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCc2ccsc2)[nH]c1=O
Show InChI InChI=1/C16H24N3O15P3S/c20-13-11(8-31-36(26,27)34-37(28,29)33-35(23,24)25)32-15(14(13)21)19-5-3-12(17-16(19)22)18-30-6-1-2-10-4-7-38-9-10/h3-5,7,9,11,13-15,20-21H,1-2,6,8H2,(H,26,27)(H,28,29)(H,17,18,22)(H2,23,24,25)/t11-,13-,14-,15-/s2
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n/an/an/an/a 103n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y4


(Homo sapiens (Human))
BDBM50012954
PNG
(CHEMBL3261360)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCCc2ccccc2)[nH]c1=O
Show InChI InChI=1/C19H28N3O15P3/c23-16-14(12-34-39(29,30)37-40(31,32)36-38(26,27)28)35-18(17(16)24)22-10-9-15(20-19(22)25)21-33-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,9-10,14,16-18,23-24H,4-5,8,11-12H2,(H,29,30)(H,31,32)(H,20,21,25)(H2,26,27,28)/t14-,16-,17-,18-/s2
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n/an/an/an/a 54n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y4


(Homo sapiens (Human))
BDBM50013012
PNG
(CHEMBL3261374)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCc2ccc3ccccc3c2)[nH]c1=O
Show InChI InChI=1/C22H28N3O15P3/c26-19-17(13-37-42(32,33)40-43(34,35)39-41(29,30)31)38-21(20(19)27)25-10-9-18(23-22(25)28)24-36-11-3-4-14-7-8-15-5-1-2-6-16(15)12-14/h1-2,5-10,12,17,19-21,26-27H,3-4,11,13H2,(H,32,33)(H,34,35)(H,23,24,28)(H2,29,30,31)/t17-,19-,20-,21-/s2
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n/an/an/an/a 128n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y4


(Homo sapiens (Human))
BDBM50013028
PNG
(CHEMBL3261377)
Show SMILES Nc1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCCCCCn3cc(CCNC(=O)COc4ccc(CCCO\N=c5\ccn([C@@H]6O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]6O)c(=O)[nH]5)cc4)nn3)c3ccc(=[NH2+])c(c3oc2c1S([O-])(=O)=O)S([O-])(=O)=O
Show InChI InChI=1/C51H59N10O27P3S2.2C6H15N/c52-36-15-13-33-41(34-14-16-37(53)47(93(79,80)81)45(34)86-44(33)46(36)92(76,77)78)32-12-9-29(24-35(32)50(66)67)48(65)55-19-3-1-2-4-21-60-25-30(57-59-60)17-20-54-40(62)27-82-31-10-7-28(8-11-31)6-5-23-83-58-39-18-22-61(51(68)56-39)49-43(64)42(63)38(85-49)26-84-90(72,73)88-91(74,75)87-89(69,70)71;2*1-4-7(5-2)6-3/h7-16,18,22,24-25,38,42-43,49,52,63-64H,1-6,17,19-21,23,26-27,53H2,(H,54,62)(H,55,65)(H,66,67)(H,72,73)(H,74,75)(H,56,58,68)(H2,69,70,71)(H,76,77,78)(H,79,80,81);2*4-6H2,1-3H3/t38-,42-,43-,49-;;/s2
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n/an/an/an/a 200n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y6


(Homo sapiens (Human))
BDBM50012955
PNG
(CHEMBL3261361)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCOc2ccccc2)[nH]c1=O
Show InChI InChI=1/C17H24N3O16P3/c21-14-12(10-33-38(27,28)36-39(29,30)35-37(24,25)26)34-16(15(14)22)20-7-6-13(18-17(20)23)19-32-9-8-31-11-4-2-1-3-5-11/h1-7,12,14-16,21-22H,8-10H2,(H,27,28)(H,29,30)(H,18,19,23)(H2,24,25,26)/t12-,14-,15-,16-/s2
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n/an/an/an/a 1.78E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as stimulation of [3H]inositol phosphate accumulation by liquid scin...


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y6


(Homo sapiens (Human))
BDBM50012978
PNG
(CHEMBL3261369)
Show SMILES COc1ccc(CCCO\N=c2\ccn([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c(=O)[nH]2)cc1
Show InChI InChI=1/C19H28N3O16P3/c1-33-13-6-4-12(5-7-13)3-2-10-34-21-15-8-9-22(19(25)20-15)18-17(24)16(23)14(36-18)11-35-40(29,30)38-41(31,32)37-39(26,27)28/h4-9,14,16-18,23-24H,2-3,10-11H2,1H3,(H,29,30)(H,31,32)(H,20,21,25)(H2,26,27,28)/t14-,16-,17-,18-/s2
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n/an/an/an/a 277n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as stimulation of [3H]inositol phosphate accumulation by liquid scin...


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y6


(Homo sapiens (Human))
BDBM50013013
PNG
(CHEMBL3261375)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCC(C#N)(c2ccccc2)c2ccccc2)[nH]c1=O
Show InChI InChI=1/C25H29N4O15P3/c26-16-25(17-7-3-1-4-8-17,18-9-5-2-6-10-18)12-14-40-28-20-11-13-29(24(32)27-20)23-22(31)21(30)19(42-23)15-41-46(36,37)44-47(38,39)43-45(33,34)35/h1-11,13,19,21-23,30-31H,12,14-15H2,(H,36,37)(H,38,39)(H,27,28,32)(H2,33,34,35)/t19-,21-,22-,23-/s2
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n/an/an/an/a 177n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as stimulation of [3H]inositol phosphate accumulation by liquid scin...


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50012974
PNG
(CHEMBL3261365)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCc2cccc(I)c2)[nH]c1=O
Show InChI InChI=1/C18H25IN3O15P3/c19-12-5-1-3-11(9-12)4-2-8-33-21-14-6-7-22(18(25)20-14)17-16(24)15(23)13(35-17)10-34-39(29,30)37-40(31,32)36-38(26,27)28/h1,3,5-7,9,13,15-17,23-24H,2,4,8,10H2,(H,29,30)(H,31,32)(H,20,21,25)(H2,26,27,28)/t13-,15-,16-,17-/s2
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n/an/an/an/a 325n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50012976
PNG
(CHEMBL3261367)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCc2cccc(c2)[N+]([O-])=O)[nH]c1=O
Show InChI InChI=1/C18H25N4O17P3/c23-15-13(10-36-41(31,32)39-42(33,34)38-40(28,29)30)37-17(16(15)24)21-7-6-14(19-18(21)25)20-35-8-2-4-11-3-1-5-12(9-11)22(26)27/h1,3,5-7,9,13,15-17,23-24H,2,4,8,10H2,(H,31,32)(H,33,34)(H,19,20,25)(H2,28,29,30)/t13-,15-,16-,17-/s2
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n/an/an/an/a 457n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50012979
PNG
(CHEMBL3261370)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCc2cccnc2)[nH]c1=O
Show InChI InChI=1/C17H25N4O15P3/c22-14-12(10-33-38(28,29)36-39(30,31)35-37(25,26)27)34-16(15(14)23)21-7-5-13(19-17(21)24)20-32-8-2-4-11-3-1-6-18-9-11/h1,3,5-7,9,12,14-16,22-23H,2,4,8,10H2,(H,28,29)(H,30,31)(H,19,20,24)(H2,25,26,27)/t12-,14-,15-,16-/s2
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n/an/an/an/a 327n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50013028
PNG
(CHEMBL3261377)
Show SMILES Nc1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCCCCCn3cc(CCNC(=O)COc4ccc(CCCO\N=c5\ccn([C@@H]6O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]6O)c(=O)[nH]5)cc4)nn3)c3ccc(=[NH2+])c(c3oc2c1S([O-])(=O)=O)S([O-])(=O)=O
Show InChI InChI=1/C51H59N10O27P3S2.2C6H15N/c52-36-15-13-33-41(34-14-16-37(53)47(93(79,80)81)45(34)86-44(33)46(36)92(76,77)78)32-12-9-29(24-35(32)50(66)67)48(65)55-19-3-1-2-4-21-60-25-30(57-59-60)17-20-54-40(62)27-82-31-10-7-28(8-11-31)6-5-23-83-58-39-18-22-61(51(68)56-39)49-43(64)42(63)38(85-49)26-84-90(72,73)88-91(74,75)87-89(69,70)71;2*1-4-7(5-2)6-3/h7-16,18,22,24-25,38,42-43,49,52,63-64H,1-6,17,19-21,23,26-27,53H2,(H,54,62)(H,55,65)(H,66,67)(H,72,73)(H,74,75)(H,56,58,68)(H2,69,70,71)(H,76,77,78)(H,79,80,81);2*4-6H2,1-3H3/t38-,42-,43-,49-;;/s2
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n/an/an/an/a 577n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50013029
PNG
(CHEMBL3261378)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCc2ccc(OCC(=O)NCCc3cn(CCCNC(=O)CCCCCNC(=O)COc4ccc(\C=C\c5ccc6C=C7C=CC(c8cccs8)=[N+]7[B-](F)(F)n56)cc4)nn3)cc2)[nH]c1=O
Show InChI InChI=1/C56H67BF2N11O20P3S/c58-57(59)69-41(16-17-42(69)33-43-18-23-46(70(43)57)48-8-5-32-94-48)15-10-39-13-21-45(22-14-39)84-36-51(72)61-26-3-1-2-9-50(71)60-27-6-29-67-34-40(64-66-67)24-28-62-52(73)37-85-44-19-11-38(12-20-44)7-4-31-86-65-49-25-30-68(56(76)63-49)55-54(75)53(74)47(88-55)35-87-92(80,81)90-93(82,83)89-91(77,78)79/h5,8,10-23,25,30,32-34,47,53-55,74-75H,1-4,6-7,9,24,26-29,31,35-37H2,(H,60,71)(H,61,72)(H,62,73)(H,80,81)(H,82,83)(H,63,65,76)(H2,77,78,79)/b15-10+/t47-,53-,54-,55-/s2
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n/an/an/an/a 66n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y6


(Homo sapiens (Human))
BDBM50012954
PNG
(CHEMBL3261360)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCCc2ccccc2)[nH]c1=O
Show InChI InChI=1/C19H28N3O15P3/c23-16-14(12-34-39(29,30)37-40(31,32)36-38(26,27)28)35-18(17(16)24)22-10-9-15(20-19(22)25)21-33-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,9-10,14,16-18,23-24H,4-5,8,11-12H2,(H,29,30)(H,31,32)(H,20,21,25)(H2,26,27,28)/t14-,16-,17-,18-/s2
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n/an/an/an/a 251n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as stimulation of [3H]inositol phosphate accumulation by liquid scin...


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y6


(Homo sapiens (Human))
BDBM50012975
PNG
(CHEMBL3261366)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCc2ccc(I)cc2)[nH]c1=O
Show InChI InChI=1/C18H25IN3O15P3/c19-12-5-3-11(4-6-12)2-1-9-33-21-14-7-8-22(18(25)20-14)17-16(24)15(23)13(35-17)10-34-39(29,30)37-40(31,32)36-38(26,27)28/h3-8,13,15-17,23-24H,1-2,9-10H2,(H,29,30)(H,31,32)(H,20,21,25)(H2,26,27,28)/t13-,15-,16-,17-/s2
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n/an/an/an/a 90n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as stimulation of [3H]inositol phosphate accumulation by liquid scin...


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y6


(Homo sapiens (Human))
BDBM50012977
PNG
(CHEMBL3261368)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCc2ccc(cc2)[N+]([O-])=O)[nH]c1=O
Show InChI InChI=1/C18H25N4O17P3/c23-15-13(10-36-41(31,32)39-42(33,34)38-40(28,29)30)37-17(16(15)24)21-8-7-14(19-18(21)25)20-35-9-1-2-11-3-5-12(6-4-11)22(26)27/h3-8,13,15-17,23-24H,1-2,9-10H2,(H,31,32)(H,33,34)(H,19,20,25)(H2,28,29,30)/t13-,15-,16-,17-/s2
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n/an/an/an/a 1.33E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as stimulation of [3H]inositol phosphate accumulation by liquid scin...


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y6


(Homo sapiens (Human))
BDBM50013028
PNG
(CHEMBL3261377)
Show SMILES Nc1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCCCCCn3cc(CCNC(=O)COc4ccc(CCCO\N=c5\ccn([C@@H]6O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]6O)c(=O)[nH]5)cc4)nn3)c3ccc(=[NH2+])c(c3oc2c1S([O-])(=O)=O)S([O-])(=O)=O
Show InChI InChI=1/C51H59N10O27P3S2.2C6H15N/c52-36-15-13-33-41(34-14-16-37(53)47(93(79,80)81)45(34)86-44(33)46(36)92(76,77)78)32-12-9-29(24-35(32)50(66)67)48(65)55-19-3-1-2-4-21-60-25-30(57-59-60)17-20-54-40(62)27-82-31-10-7-28(8-11-31)6-5-23-83-58-39-18-22-61(51(68)56-39)49-43(64)42(63)38(85-49)26-84-90(72,73)88-91(74,75)87-89(69,70)71;2*1-4-7(5-2)6-3/h7-16,18,22,24-25,38,42-43,49,52,63-64H,1-6,17,19-21,23,26-27,53H2,(H,54,62)(H,55,65)(H,66,67)(H,72,73)(H,74,75)(H,56,58,68)(H2,69,70,71)(H,76,77,78)(H,79,80,81);2*4-6H2,1-3H3/t38-,42-,43-,49-;;/s2
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n/an/an/an/a 334n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as stimulation of [3H]inositol phosphate accumulation by liquid scin...


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y4


(Homo sapiens (Human))
BDBM50013030
PNG
(CHEMBL3261379)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cc\c(=N\OCCCc3ccccc3)[nH]c2=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1/C27H37N5O23P4/c33-19-9-11-32(27(39)29-19)25-23(37)21(35)17(52-25)14-50-57(42,43)54-59(46,47)55-58(44,45)53-56(40,41)49-13-16-20(34)22(36)24(51-16)31-10-8-18(28-26(31)38)30-48-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,16-17,20-25,34-37H,4,7,12-14H2,(H,40,41)(H,42,43)(H,44,45)(H,46,47)(H,28,30,38)(H,29,33,39)/t16-,17-,20-,21-,22-,23-,24-,25-/s2
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n/an/an/an/a 93n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y4 receptor expressed in human 1321N1 cells by functional assay


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50012978
PNG
(CHEMBL3261369)
Show SMILES COc1ccc(CCCO\N=c2\ccn([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c(=O)[nH]2)cc1
Show InChI InChI=1/C19H28N3O16P3/c1-33-13-6-4-12(5-7-13)3-2-10-34-21-15-8-9-22(19(25)20-15)18-17(24)16(23)14(36-18)11-35-40(29,30)38-41(31,32)37-39(26,27)28/h4-9,14,16-18,23-24H,2-3,10-11H2,1H3,(H,29,30)(H,31,32)(H,20,21,25)(H2,26,27,28)/t14-,16-,17-,18-/s2
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n/an/an/an/a 47n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50013011
PNG
(CHEMBL3261373)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCC#C)[nH]c1=O
Show InChI InChI=1/C14H22N3O15P3/c1-2-3-4-7-28-16-10-5-6-17(14(20)15-10)13-12(19)11(18)9(30-13)8-29-34(24,25)32-35(26,27)31-33(21,22)23/h1,5-6,9,11-13,18-19H,3-4,7-8H2,(H,24,25)(H,26,27)(H,15,16,20)(H2,21,22,23)/t9-,11-,12-,13-/s2
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n/an/an/an/a 168n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50013013
PNG
(CHEMBL3261375)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCC(C#N)(c2ccccc2)c2ccccc2)[nH]c1=O
Show InChI InChI=1/C25H29N4O15P3/c26-16-25(17-7-3-1-4-8-17,18-9-5-2-6-10-18)12-14-40-28-20-11-13-29(24(32)27-20)23-22(31)21(30)19(42-23)15-41-46(36,37)44-47(38,39)43-45(33,34)35/h1-11,13,19,21-23,30-31H,12,14-15H2,(H,36,37)(H,38,39)(H,27,28,32)(H2,33,34,35)/t19-,21-,22-,23-/s2
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n/an/an/an/a 934n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y4


(Homo sapiens (Human))
BDBM50012979
PNG
(CHEMBL3261370)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCc2cccnc2)[nH]c1=O
Show InChI InChI=1/C17H25N4O15P3/c22-14-12(10-33-38(28,29)36-39(30,31)35-37(25,26)27)34-16(15(14)23)21-7-5-13(19-17(21)24)20-32-8-2-4-11-3-1-6-18-9-11/h1,3,5-7,9,12,14-16,22-23H,2,4,8,10H2,(H,28,29)(H,30,31)(H,19,20,24)(H2,25,26,27)/t12-,14-,15-,16-/s2
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n/an/an/an/a 300n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y6


(Homo sapiens (Human))
BDBM50012953
PNG
(CHEMBL3261359)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCC(O)=O)[nH]c1=O
Show InChI InChI=1/C13H22N3O17P3/c17-9(18)2-1-5-29-15-8-3-4-16(13(21)14-8)12-11(20)10(19)7(31-12)6-30-35(25,26)33-36(27,28)32-34(22,23)24/h3-4,7,10-12,19-20H,1-2,5-6H2,(H,17,18)(H,25,26)(H,27,28)(H,14,15,21)(H2,22,23,24)/t7-,10-,11-,12-/s2
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n/an/an/an/a 697n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as stimulation of [3H]inositol phosphate accumulation by liquid scin...


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y6


(Homo sapiens (Human))
BDBM50013029
PNG
(CHEMBL3261378)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCc2ccc(OCC(=O)NCCc3cn(CCCNC(=O)CCCCCNC(=O)COc4ccc(\C=C\c5ccc6C=C7C=CC(c8cccs8)=[N+]7[B-](F)(F)n56)cc4)nn3)cc2)[nH]c1=O
Show InChI InChI=1/C56H67BF2N11O20P3S/c58-57(59)69-41(16-17-42(69)33-43-18-23-46(70(43)57)48-8-5-32-94-48)15-10-39-13-21-45(22-14-39)84-36-51(72)61-26-3-1-2-9-50(71)60-27-6-29-67-34-40(64-66-67)24-28-62-52(73)37-85-44-19-11-38(12-20-44)7-4-31-86-65-49-25-30-68(56(76)63-49)55-54(75)53(74)47(88-55)35-87-92(80,81)90-93(82,83)89-91(77,78)79/h5,8,10-23,25,30,32-34,47,53-55,74-75H,1-4,6-7,9,24,26-29,31,35-37H2,(H,60,71)(H,61,72)(H,62,73)(H,80,81)(H,82,83)(H,63,65,76)(H2,77,78,79)/b15-10+/t47-,53-,54-,55-/s2
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n/an/an/an/a 23n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as stimulation of [3H]inositol phosphate accumulation by liquid scin...


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50013030
PNG
(CHEMBL3261379)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cc\c(=N\OCCCc3ccccc3)[nH]c2=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1/C27H37N5O23P4/c33-19-9-11-32(27(39)29-19)25-23(37)21(35)17(52-25)14-50-57(42,43)54-59(46,47)55-58(44,45)53-56(40,41)49-13-16-20(34)22(36)24(51-16)31-10-8-18(28-26(31)38)30-48-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,16-17,20-25,34-37H,4,7,12-14H2,(H,40,41)(H,42,43)(H,44,45)(H,46,47)(H,28,30,38)(H,29,33,39)/t16-,17-,20-,21-,22-,23-,24-,25-/s2
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n/an/an/an/a 389n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%