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Compile Data Set for Download or QSAR

Found 114 hits with Last Name = 'burianek' and Initial = 'le'   
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 14


(Homo sapiens (Human))
BDBM50209663
PNG
(CHEMBL374384 | MRS-2670 | diphosphoric acid 1-alph...)
Show SMILES OC[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=S)[nH]c2=O)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C15H24N2O16P2S/c18-3-5-8(19)10(21)12(23)14(31-5)32-35(27,28)33-34(25,26)29-4-6-9(20)11(22)13(30-6)17-2-1-7(36)16-15(17)24/h1-2,5-6,8-14,18-23H,3-4H2,(H,25,26)(H,27,28)(H,16,24,36)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1
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n/an/an/an/a 11n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 53: 471-80 (2010)


Article DOI: 10.1021/jm901432g
BindingDB Entry DOI: 10.7270/Q2W95B4M
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))
BDBM50209663
PNG
(CHEMBL374384 | MRS-2670 | diphosphoric acid 1-alph...)
Show SMILES OC[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=S)[nH]c2=O)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C15H24N2O16P2S/c18-3-5-8(19)10(21)12(23)14(31-5)32-35(27,28)33-34(25,26)29-4-6-9(20)11(22)13(30-6)17-2-1-7(36)16-15(17)24/h1-2,5-6,8-14,18-23H,3-4H2,(H,25,26)(H,27,28)(H,16,24,36)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1
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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 coexpressing phospholipase C-activating Gq protein assessed as [3H]inositol p...


J Med Chem 53: 471-80 (2010)


Article DOI: 10.1021/jm901432g
BindingDB Entry DOI: 10.7270/Q2W95B4M
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50319137
PNG
(CHEMBL1083259 | P1-Uridine 5'-P3-Phenyltriphosphat...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)Oc2ccccc2)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C15H19N2O15P3/c18-11-6-7-17(15(21)16-11)14-13(20)12(19)10(29-14)8-28-33(22,23)31-35(26,27)32-34(24,25)30-9-4-2-1-3-5-9/h1-7,10,12-14,19-20H,8H2,(H,22,23)(H,24,25)(H,26,27)(H,16,18,21)/t10-,12-,13-,14-/m1/s1
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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 recombinant P2Y2 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate production by scintillation pr...


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50319138
PNG
(CHEMBL1083258 | P1-Uridine 5'-P3-Cyclohexyltriphos...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OC2CCCCC2)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C15H25N2O15P3/c18-11-6-7-17(15(21)16-11)14-13(20)12(19)10(29-14)8-28-33(22,23)31-35(26,27)32-34(24,25)30-9-4-2-1-3-5-9/h6-7,9-10,12-14,19-20H,1-5,8H2,(H,22,23)(H,24,25)(H,26,27)(H,16,18,21)/t10-,12-,13-,14-/m1/s1
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n/an/an/an/a 2.28E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50319130
PNG
(((((2R,3S,4R,5R)-3,4-dihydroxy-5-((E)-4-(methoxyim...)
Show SMILES CONc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3ccc(NOC)nc3=O)[C@@H](O)[C@H]2O)c(=O)n1 |r|
Show InChI InChI=1S/C20H31N6O20P3/c1-39-23-11-3-5-25(19(31)21-11)17-15(29)13(27)9(43-17)7-41-47(33,34)45-49(37,38)46-48(35,36)42-8-10-14(28)16(30)18(44-10)26-6-4-12(24-40-2)22-20(26)32/h3-6,9-10,13-18,27-30H,7-8H2,1-2H3,(H,33,34)(H,35,36)(H,37,38)(H,21,23,31)(H,22,24,32)/t9-,10-,13-,14-,15-,16-,17-,18-/m1/s1
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n/an/an/an/a 2.12E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50319139
PNG
(CHEMBL1083256 | P1-Uridine5'-P3-Cyclohexyltriphosp...)
Show SMILES CONc1ccn([C@@H]2O[C@H](COP(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)[C@@H](O)[C@H]2O)c(=O)n1 |r|
Show InChI InChI=1S/C19H28N5O20P3/c1-38-22-10-2-4-23(18(30)20-10)16-14(28)12(26)8(41-16)6-39-45(32,33)43-47(36,37)44-46(34,35)40-7-9-13(27)15(29)17(42-9)24-5-3-11(25)21-19(24)31/h2-5,8-9,12-17,26-29H,6-7H2,1H3,(H,32,33)(H,34,35)(H,36,37)(H,20,22,30)(H,21,25,31)/t8-,9-,12-,13-,14-,15-,16-,17-/m1/s1
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n/an/an/an/a 170n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50319135
PNG
(CHEMBL1083255 | P1,P3-Di(uridine5'-)alpha,beta-Met...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)CP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C19H27N4O19P3/c24-10-1-3-22(18(30)20-10)16-14(28)12(26)8(40-16)5-38-43(32,33)7-44(34,35)42-45(36,37)39-6-9-13(27)15(29)17(41-9)23-4-2-11(25)21-19(23)31/h1-4,8-9,12-17,26-29H,5-7H2,(H,32,33)(H,34,35)(H,36,37)(H,20,24,30)(H,21,25,31)/t8-,9-,12-,13-,14-,15-,16-,17-/m1/s1
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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 recombinant P2Y2 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate production by scintillation pr...


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50319143
PNG
(CHEMBL1083764 | CHEMBL1198849 | N4-Methoxycytidine...)
Show SMILES CONc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1 |r|
Show InChI InChI=1S/C10H18N3O15P3/c1-24-12-6-2-3-13(10(16)11-6)9-8(15)7(14)5(26-9)4-25-30(20,21)28-31(22,23)27-29(17,18)19/h2-3,5,7-9,14-15H,4H2,1H3,(H,20,21)(H,22,23)(H,11,12,16)(H2,17,18,19)/t5-,7-,8-,9-/m1/s1
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n/an/an/an/a 50n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50319128
PNG
(CHEMBL1083265 | N4-Methoxycytidine 5-Phenyltriphos...)
Show SMILES CONc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)Oc3ccccc3)[C@@H](O)[C@H]2O)c(=O)n1 |r|
Show InChI InChI=1S/C16H22N3O15P3/c1-29-18-12-7-8-19(16(22)17-12)15-14(21)13(20)11(31-15)9-30-35(23,24)33-37(27,28)34-36(25,26)32-10-5-3-2-4-6-10/h2-8,11,13-15,20-21H,9H2,1H3,(H,23,24)(H,25,26)(H,27,28)(H,17,18,22)/t11-,13-,14-,15-/m1/s1
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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 recombinant P2Y2 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate production by scintillation pr...


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50319144
PNG
(((1S,2S,4S,5S)-4-(2,4-dioxo-3,4-dihydropyrimidin-1...)
Show SMILES O[C@H]1C[C@@H]([C@H]2C[C@]12COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C11H17N2O13P3/c14-8-3-7(13-2-1-9(15)12-10(13)16)6-4-11(6,8)5-24-28(20,21)26-29(22,23)25-27(17,18)19/h1-2,6-8,14H,3-5H2,(H,20,21)(H,22,23)(H,12,15,16)(H2,17,18,19)/t6-,7+,8+,11-/m1/s1
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n/an/an/an/a 16n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50319136
PNG
(CHEMBL1083264 | N4-Methoxycytidine 5'-Glucose-1'-t...)
Show SMILES CONc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)n1 |r|
Show InChI InChI=1S/C16H28N3O20P3/c1-33-18-8-2-3-19(16(26)17-8)14-12(24)10(22)7(35-14)5-34-40(27,28)38-42(31,32)39-41(29,30)37-15-13(25)11(23)9(21)6(4-20)36-15/h2-3,6-7,9-15,20-25H,4-5H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H,17,18,26)/t6-,7-,9-,10-,11+,12-,13-,14-,15-/m1/s1
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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 recombinant P2Y2 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate production by scintillation pr...


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50241299
PNG
(CHEMBL239151 | {[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C18H25N4O20P3/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(39-15)5-37-43(31,32)41-45(35,36)42-44(33,34)38-6-8-12(26)14(28)16(40-8)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,19,23,29)(H,20,24,30)/t7-,8-,11-,12-,13-,14-,15-,16-/m1/s1
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n/an/an/an/a 1.31E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50319140
PNG
((S)-Methanocarbauridine5'-Triphosphate Triethylamm...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H]2C[C@]2([C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C11H17N2O14P3/c14-7-1-2-13(10(17)12-7)11-3-6(11)5(8(15)9(11)16)4-25-29(21,22)27-30(23,24)26-28(18,19)20/h1-2,5-6,8-9,15-16H,3-4H2,(H,21,22)(H,23,24)(H,12,14,17)(H2,18,19,20)/t5-,6-,8+,9+,11-/m0/s1
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n/an/an/an/a 80n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50319126
PNG
(CHEMBL1084296 | N4-tert-Butyloxycytidine 5'-Diphos...)
Show SMILES CC(C)(C)ONc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1 |r|
Show InChI InChI=1S/C13H23N3O12P2/c1-13(2,3)27-15-8-4-5-16(12(19)14-8)11-10(18)9(17)7(26-11)6-25-30(23,24)28-29(20,21)22/h4-5,7,9-11,17-18H,6H2,1-3H3,(H,23,24)(H,14,15,19)(H2,20,21,22)/t7-,9-,10-,11-/m1/s1
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n/an/an/an/a 3.51E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50319131
PNG
(CHEMBL1084612 | N4-Benzyloxycytidine 5'-Diphosphat...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(NOCc2ccccc2)nc1=O |r|
Show InChI InChI=1S/C16H21N3O12P2/c20-13-11(9-29-33(26,27)31-32(23,24)25)30-15(14(13)21)19-7-6-12(17-16(19)22)18-28-8-10-4-2-1-3-5-10/h1-7,11,13-15,20-21H,8-9H2,(H,26,27)(H,17,18,22)(H2,23,24,25)/t11-,13-,14-,15-/m1/s1
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n/an/an/an/a 2.13E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50319141
PNG
(CHEMBL1084295 | N4-Ethoxycytidine 5'-Diphosphate t...)
Show SMILES CCONc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1 |r|
Show InChI InChI=1S/C11H19N3O12P2/c1-2-23-13-7-3-4-14(11(17)12-7)10-9(16)8(15)6(25-10)5-24-28(21,22)26-27(18,19)20/h3-4,6,8-10,15-16H,2,5H2,1H3,(H,21,22)(H,12,13,17)(H2,18,19,20)/t6-,8-,9-,10-/m1/s1
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n/an/an/an/a 280n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50319129
PNG
(CHEMBL1084020 | CHEMBL1204010 | N4-Methoxycytidine...)
Show SMILES CONc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1 |r|
Show InChI InChI=1S/C10H17N3O12P2/c1-22-12-6-2-3-13(10(16)11-6)9-8(15)7(14)5(24-9)4-23-27(20,21)25-26(17,18)19/h2-3,5,7-9,14-15H,4H2,1H3,(H,20,21)(H,11,12,16)(H2,17,18,19)/t5-,7-,8-,9-/m1/s1
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n/an/an/an/a 3.60E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))
BDBM50319125
PNG
(CHEMBL1084613 | N4-Methoxycytidine 5'-alpha,beta-M...)
Show SMILES CONc1ccn([C@@H]2O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1 |r|
Show InChI InChI=1S/C11H19N3O11P2/c1-23-13-7-2-3-14(11(17)12-7)10-9(16)8(15)6(25-10)4-24-27(21,22)5-26(18,19)20/h2-3,6,8-10,15-16H,4-5H2,1H3,(H,21,22)(H,12,13,17)(H2,18,19,20)/t6-,8-,9-,10-/m1/s1
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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 recombinant P2Y6 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate production by scintillation pr...


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
P2Y purinoceptor 4


(Homo sapiens (Human))
BDBM50319126
PNG
(CHEMBL1084296 | N4-tert-Butyloxycytidine 5'-Diphos...)
Show SMILES CC(C)(C)ONc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1 |r|
Show InChI InChI=1S/C13H23N3O12P2/c1-13(2,3)27-15-8-4-5-16(12(19)14-8)11-10(18)9(17)7(26-11)6-25-30(23,24)28-29(20,21)22/h4-5,7,9-11,17-18H,6H2,1-3H3,(H,23,24)(H,14,15,19)(H2,20,21,22)/t7-,9-,10-,11-/m1/s1
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n/an/an/an/a 6.23E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))
BDBM50319127
PNG
(5-Iodouridine 5'-Glucose-1'-triphosphate Triethyla...)
Show SMILES OC[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cc(I)c(=O)[nH]c2=O)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C15H24IN2O20P3/c16-4-1-18(15(26)17-12(4)25)13-10(23)8(21)6(34-13)3-33-39(27,28)37-41(31,32)38-40(29,30)36-14-11(24)9(22)7(20)5(2-19)35-14/h1,5-11,13-14,19-24H,2-3H2,(H,27,28)(H,29,30)(H,31,32)(H,17,25,26)/t5-,6-,7-,8-,9+,10-,11-,13-,14-/m1/s1
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n/an/an/an/a 4.69E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y6 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate production by scintillation pr...


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))
BDBM50319128
PNG
(CHEMBL1083265 | N4-Methoxycytidine 5-Phenyltriphos...)
Show SMILES CONc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)Oc3ccccc3)[C@@H](O)[C@H]2O)c(=O)n1 |r|
Show InChI InChI=1S/C16H22N3O15P3/c1-29-18-12-7-8-19(16(22)17-12)15-14(21)13(20)11(31-15)9-30-35(23,24)33-37(27,28)34-36(25,26)32-10-5-3-2-4-6-10/h2-8,11,13-15,20-21H,9H2,1H3,(H,23,24)(H,25,26)(H,27,28)(H,17,18,22)/t11-,13-,14-,15-/m1/s1
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n/an/an/an/a 3.49E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y6 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate production by scintillation pr...


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
P2Y purinoceptor 4


(Homo sapiens (Human))
BDBM50319129
PNG
(CHEMBL1084020 | CHEMBL1204010 | N4-Methoxycytidine...)
Show SMILES CONc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1 |r|
Show InChI InChI=1S/C10H17N3O12P2/c1-22-12-6-2-3-13(10(16)11-6)9-8(15)7(14)5(24-9)4-23-27(20,21)25-26(17,18)19/h2-3,5,7-9,14-15H,4H2,1H3,(H,20,21)(H,11,12,16)(H2,17,18,19)/t5-,7-,8-,9-/m1/s1
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n/an/an/an/a 6.45E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))
BDBM50319126
PNG
(CHEMBL1084296 | N4-tert-Butyloxycytidine 5'-Diphos...)
Show SMILES CC(C)(C)ONc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1 |r|
Show InChI InChI=1S/C13H23N3O12P2/c1-13(2,3)27-15-8-4-5-16(12(19)14-8)11-10(18)9(17)7(26-11)6-25-30(23,24)28-29(20,21)22/h4-5,7,9-11,17-18H,6H2,1-3H3,(H,23,24)(H,14,15,19)(H2,20,21,22)/t7-,9-,10-,11-/m1/s1
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n/an/an/an/a 3.51E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y6 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate production by scintillation pr...


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))
BDBM50319129
PNG
(CHEMBL1084020 | CHEMBL1204010 | N4-Methoxycytidine...)
Show SMILES CONc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1 |r|
Show InChI InChI=1S/C10H17N3O12P2/c1-22-12-6-2-3-13(10(16)11-6)9-8(15)7(14)5(24-9)4-23-27(20,21)25-26(17,18)19/h2-3,5,7-9,14-15H,4H2,1H3,(H,20,21)(H,11,12,16)(H2,17,18,19)/t5-,7-,8-,9-/m1/s1
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n/an/an/an/a 3.60E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y6 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate production by scintillation pr...


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))
BDBM50179185
PNG
(((2R,3S,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H...)
Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C9H14N2O11P2/c12-5-3-8(11-2-1-7(13)10-9(11)14)21-6(5)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
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n/an/an/an/a 1.72E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y6 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate production by scintillation pr...


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))
BDBM50319131
PNG
(CHEMBL1084612 | N4-Benzyloxycytidine 5'-Diphosphat...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(NOCc2ccccc2)nc1=O |r|
Show InChI InChI=1S/C16H21N3O12P2/c20-13-11(9-29-33(26,27)31-32(23,24)25)30-15(14(13)21)19-7-6-12(17-16(19)22)18-28-8-10-4-2-1-3-5-10/h1-7,11,13-15,20-21H,8-9H2,(H,26,27)(H,17,18,22)(H2,23,24,25)/t11-,13-,14-,15-/m1/s1
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n/an/an/an/a 2.13E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y6 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate production by scintillation pr...


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))
BDBM50319132
PNG
(CHEMBL1083260 | P1-Uridine 5'-P3-[1]Glucose-1'-Tri...)
Show SMILES OC[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C15H25N2O20P3/c18-3-5-8(20)10(22)12(24)14(34-5)35-39(28,29)37-40(30,31)36-38(26,27)32-4-6-9(21)11(23)13(33-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,30,31)(H,16,19,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1
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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 recombinant P2Y6 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate production by scintillation pr...


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))
BDBM50319133
PNG
(3-Phenacyluridine5'-Glucose-1'-triphosphate Trieth...)
Show SMILES OC[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)n(CC(=O)c3ccccc3)c2=O)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C23H31N2O21P3/c26-9-13-16(29)18(31)20(33)22(43-13)44-48(37,38)46-49(39,40)45-47(35,36)41-10-14-17(30)19(32)21(42-14)24-7-6-15(28)25(23(24)34)8-12(27)11-4-2-1-3-5-11/h1-7,13-14,16-22,26,29-33H,8-10H2,(H,35,36)(H,37,38)(H,39,40)/t13-,14-,16-,17-,18+,19-,20-,21-,22-/m1/s1
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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 recombinant P2Y6 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate production by scintillation pr...


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))
BDBM50319134
PNG
(CHEMBL1083263 | Uridine 5'-Glucose-1'-alpha,beta-m...)
Show SMILES OC[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)CP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C16H27N2O19P3/c19-3-6-9(21)11(23)13(25)15(35-6)36-40(31,32)37-39(29,30)5-38(27,28)33-4-7-10(22)12(24)14(34-7)18-2-1-8(20)17-16(18)26/h1-2,6-7,9-15,19,21-25H,3-5H2,(H,27,28)(H,29,30)(H,31,32)(H,17,20,26)/t6-,7-,9-,10-,11+,12-,13-,14-,15-/m1/s1
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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 recombinant P2Y6 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate production by scintillation pr...


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Homo sapiens (Human))
BDBM50319129
PNG
(CHEMBL1084020 | CHEMBL1204010 | N4-Methoxycytidine...)
Show SMILES CONc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1 |r|
Show InChI InChI=1S/C10H17N3O12P2/c1-22-12-6-2-3-13(10(16)11-6)9-8(15)7(14)5(24-9)4-23-27(20,21)25-26(17,18)19/h2-3,5,7-9,14-15H,4H2,1H3,(H,20,21)(H,11,12,16)(H2,17,18,19)/t5-,7-,8-,9-/m1/s1
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n/an/an/an/a 3.32E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y14 receptor expressed in HEK293 cells assessed as [3H]inositol phosphate production by scintillation proximi...


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))
BDBM50319138
PNG
(CHEMBL1083258 | P1-Uridine 5'-P3-Cyclohexyltriphos...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OC2CCCCC2)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C15H25N2O15P3/c18-11-6-7-17(15(21)16-11)14-13(20)12(19)10(29-14)8-28-33(22,23)31-35(26,27)32-34(24,25)30-9-4-2-1-3-5-9/h6-7,9-10,12-14,19-20H,1-5,8H2,(H,22,23)(H,24,25)(H,26,27)(H,16,18,21)/t10-,12-,13-,14-/m1/s1
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n/an/an/an/a 6.99E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y6 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate production by scintillation pr...


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))
BDBM50319137
PNG
(CHEMBL1083259 | P1-Uridine 5'-P3-Phenyltriphosphat...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)Oc2ccccc2)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C15H19N2O15P3/c18-11-6-7-17(15(21)16-11)14-13(20)12(19)10(29-14)8-28-33(22,23)31-35(26,27)32-34(24,25)30-9-4-2-1-3-5-9/h1-7,10,12-14,19-20H,8H2,(H,22,23)(H,24,25)(H,26,27)(H,16,18,21)/t10-,12-,13-,14-/m1/s1
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n/an/an/an/a 2.13E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y6 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate production by scintillation pr...


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))
BDBM50319135
PNG
(CHEMBL1083255 | P1,P3-Di(uridine5'-)alpha,beta-Met...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)CP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C19H27N4O19P3/c24-10-1-3-22(18(30)20-10)16-14(28)12(26)8(40-16)5-38-43(32,33)7-44(34,35)42-45(36,37)39-6-9-13(27)15(29)17(41-9)23-4-2-11(25)21-19(23)31/h1-4,8-9,12-17,26-29H,5-7H2,(H,32,33)(H,34,35)(H,36,37)(H,20,24,30)(H,21,25,31)/t8-,9-,12-,13-,14-,15-,16-,17-/m1/s1
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n/an/an/an/a 1.30E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y6 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate production by scintillation pr...


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
P2Y purinoceptor 4


(Homo sapiens (Human))
BDBM50319131
PNG
(CHEMBL1084612 | N4-Benzyloxycytidine 5'-Diphosphat...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(NOCc2ccccc2)nc1=O |r|
Show InChI InChI=1S/C16H21N3O12P2/c20-13-11(9-29-33(26,27)31-32(23,24)25)30-15(14(13)21)19-7-6-12(17-16(19)22)18-28-8-10-4-2-1-3-5-10/h1-7,11,13-15,20-21H,8-9H2,(H,26,27)(H,17,18,22)(H2,23,24,25)/t11-,13-,14-,15-/m1/s1
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n/an/an/an/a 1.15E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
P2Y purinoceptor 4


(Homo sapiens (Human))
BDBM50319139
PNG
(CHEMBL1083256 | P1-Uridine5'-P3-Cyclohexyltriphosp...)
Show SMILES CONc1ccn([C@@H]2O[C@H](COP(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)[C@@H](O)[C@H]2O)c(=O)n1 |r|
Show InChI InChI=1S/C19H28N5O20P3/c1-38-22-10-2-4-23(18(30)20-10)16-14(28)12(26)8(41-16)6-39-45(32,33)43-47(36,37)44-46(34,35)40-7-9-13(27)15(29)17(42-9)24-5-3-11(25)21-19(24)31/h2-5,8-9,12-17,26-29H,6-7H2,1H3,(H,32,33)(H,34,35)(H,36,37)(H,20,22,30)(H,21,25,31)/t8-,9-,12-,13-,14-,15-,16-,17-/m1/s1
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n/an/an/an/a 790n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
P2Y purinoceptor 4


(Homo sapiens (Human))
BDBM50241299
PNG
(CHEMBL239151 | {[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C18H25N4O20P3/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(39-15)5-37-43(31,32)41-45(35,36)42-44(33,34)38-6-8-12(26)14(28)16(40-8)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,19,23,29)(H,20,24,30)/t7-,8-,11-,12-,13-,14-,15-,16-/m1/s1
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n/an/an/an/a 870n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))
BDBM50271102
PNG
(((((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H16N2O11P2/c13-6-1-2-12(10(16)11-6)9-8(15)7(14)5(23-9)3-22-25(20,21)4-24(17,18)19/h1-2,5,7-9,14-15H,3-4H2,(H,20,21)(H,11,13,16)(H2,17,18,19)/t5-,7-,8-,9-/m1/s1
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n/an/an/an/a 700n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y6 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate production by scintillation pr...


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
P2Y purinoceptor 4


(Homo sapiens (Human))
BDBM50319140
PNG
((S)-Methanocarbauridine5'-Triphosphate Triethylamm...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H]2C[C@]2([C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C11H17N2O14P3/c14-7-1-2-13(10(17)12-7)11-3-6(11)5(8(15)9(11)16)4-25-29(21,22)27-30(23,24)26-28(18,19)20/h1-2,5-6,8-9,15-16H,3-4H2,(H,21,22)(H,23,24)(H,12,14,17)(H2,18,19,20)/t5-,6-,8+,9+,11-/m0/s1
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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 recombinant P2Y4 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate production by scintillation pr...


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))
BDBM50241299
PNG
(CHEMBL239151 | {[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C18H25N4O20P3/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(39-15)5-37-43(31,32)41-45(35,36)42-44(33,34)38-6-8-12(26)14(28)16(40-8)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,19,23,29)(H,20,24,30)/t7-,8-,11-,12-,13-,14-,15-,16-/m1/s1
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n/an/an/an/a 270n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y6 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate production by scintillation pr...


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(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 300n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y6 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate production by scintillation pr...


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))
BDBM50319140
PNG
((S)-Methanocarbauridine5'-Triphosphate Triethylamm...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H]2C[C@]2([C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C11H17N2O14P3/c14-7-1-2-13(10(17)12-7)11-3-6(11)5(8(15)9(11)16)4-25-29(21,22)27-30(23,24)26-28(18,19)20/h1-2,5-6,8-9,15-16H,3-4H2,(H,21,22)(H,23,24)(H,12,14,17)(H2,18,19,20)/t5-,6-,8+,9+,11-/m0/s1
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n/an/an/an/a 1.37E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y6 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate production by scintillation pr...


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
P2Y purinoceptor 4


(Homo sapiens (Human))
BDBM50319130
PNG
(((((2R,3S,4R,5R)-3,4-dihydroxy-5-((E)-4-(methoxyim...)
Show SMILES CONc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3ccc(NOC)nc3=O)[C@@H](O)[C@H]2O)c(=O)n1 |r|
Show InChI InChI=1S/C20H31N6O20P3/c1-39-23-11-3-5-25(19(31)21-11)17-15(29)13(27)9(43-17)7-41-47(33,34)45-49(37,38)46-48(35,36)42-8-10-14(28)16(30)18(44-10)26-6-4-12(24-40-2)22-20(26)32/h3-6,9-10,13-18,27-30H,7-8H2,1-2H3,(H,33,34)(H,35,36)(H,37,38)(H,21,23,31)(H,22,24,32)/t9-,10-,13-,14-,15-,16-,17-,18-/m1/s1
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n/an/an/an/a 560n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))
BDBM50319136
PNG
(CHEMBL1083264 | N4-Methoxycytidine 5'-Glucose-1'-t...)
Show SMILES CONc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)n1 |r|
Show InChI InChI=1S/C16H28N3O20P3/c1-33-18-8-2-3-19(16(26)17-8)14-12(24)10(22)7(35-14)5-34-40(27,28)38-42(31,32)39-41(29,30)37-15-13(25)11(23)9(21)6(4-20)36-15/h2-3,6-7,9-15,20-25H,4-5H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H,17,18,26)/t6-,7-,9-,10-,11+,12-,13-,14-,15-/m1/s1
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n/an/an/an/a 180n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y6 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate production by scintillation pr...


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(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 160n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y14 receptor expressed in HEK293 cells assessed as [3H]inositol phosphate production by scintillation proximi...


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
P2Y purinoceptor 4


(Homo sapiens (Human))
BDBM50319141
PNG
(CHEMBL1084295 | N4-Ethoxycytidine 5'-Diphosphate t...)
Show SMILES CCONc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1 |r|
Show InChI InChI=1S/C11H19N3O12P2/c1-2-23-13-7-3-4-14(11(17)12-7)10-9(16)8(15)6(25-10)5-24-28(21,22)26-27(18,19)20/h3-4,6,8-10,15-16H,2,5H2,1H3,(H,21,22)(H,12,13,17)(H2,18,19,20)/t6-,8-,9-,10-/m1/s1
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n/an/an/an/a 180n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))
BDBM50319142
PNG
(5-Iodouridine5'-Methylenediphosphate Triethylammon...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)CP(O)(O)=O)n1cc(I)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H15IN2O11P2/c11-4-1-13(10(17)12-8(4)16)9-7(15)6(14)5(24-9)2-23-26(21,22)3-25(18,19)20/h1,5-7,9,14-15H,2-3H2,(H,21,22)(H,12,16,17)(H2,18,19,20)/t5-,6-,7-,9-/m1/s1
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n/an/an/an/a 130n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y6 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate production by scintillation pr...


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))
BDBM50319143
PNG
(CHEMBL1083764 | CHEMBL1198849 | N4-Methoxycytidine...)
Show SMILES CONc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1 |r|
Show InChI InChI=1S/C10H18N3O15P3/c1-24-12-6-2-3-13(10(16)11-6)9-8(15)7(14)5(26-9)4-25-30(20,21)28-31(22,23)27-29(17,18)19/h2-3,5,7-9,14-15H,4H2,1H3,(H,20,21)(H,22,23)(H,11,12,16)(H2,17,18,19)/t5-,7-,8-,9-/m1/s1
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n/an/an/an/a 80n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y6 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate production by scintillation pr...


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
P2Y purinoceptor 4


(Homo sapiens (Human))
BDBM50319143
PNG
(CHEMBL1083764 | CHEMBL1198849 | N4-Methoxycytidine...)
Show SMILES CONc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1 |r|
Show InChI InChI=1S/C10H18N3O15P3/c1-24-12-6-2-3-13(10(16)11-6)9-8(15)7(14)5(26-9)4-25-30(20,21)28-31(22,23)27-29(17,18)19/h2-3,5,7-9,14-15H,4H2,1H3,(H,20,21)(H,22,23)(H,11,12,16)(H2,17,18,19)/t5-,7-,8-,9-/m1/s1
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n/an/an/an/a 50n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))
BDBM50319141
PNG
(CHEMBL1084295 | N4-Ethoxycytidine 5'-Diphosphate t...)
Show SMILES CCONc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1 |r|
Show InChI InChI=1S/C11H19N3O12P2/c1-2-23-13-7-3-4-14(11(17)12-7)10-9(16)8(15)6(25-10)5-24-28(21,22)26-27(18,19)20/h3-4,6,8-10,15-16H,2,5H2,1H3,(H,21,22)(H,12,13,17)(H2,18,19,20)/t6-,8-,9-,10-/m1/s1
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n/an/an/an/a 280n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y6 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate production by scintillation pr...


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))
BDBM50303353
PNG
(CHEMBL1086489 | CHEMBL567321 | Triethylazanium ({[...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)[C@@H]2C[C@]2([C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C11H16N2O11P2/c14-7-1-2-13(10(17)12-7)11-3-6(11)5(8(15)9(11)16)4-23-26(21,22)24-25(18,19)20/h1-2,5-6,8-9,15-16H,3-4H2,(H,21,22)(H,12,14,17)(H2,18,19,20)/t5-,6-,8+,9+,11-/m0/s1
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n/an/an/an/a 42n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y6 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate production by scintillation pr...


J Med Chem 53: 4488-501 (2010)


Article DOI: 10.1021/jm100287t
BindingDB Entry DOI: 10.7270/Q2RB74SH
More data for this
Ligand-Target Pair
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