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Compile Data Set for Download or QSAR

Found 33 hits with Last Name = 'kendall harden' and Initial = 't'   
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 1


(Homo sapiens (Human))		BDBM50390013
PNG
(CHEMBL2071529)
Show SMILES COc1cc(NS(=O)(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)nc(OC)n1
Show InChI InChI=1S/C19H18ClN5O5S/c1-29-17-11-16(23-19(24-17)30-2)25-31(27,28)15-8-6-13(7-9-15)21-18(26)22-14-5-3-4-12(20)10-14/h3-11H,1-2H3,(H2,21,22,26)(H,23,24,25)
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 6.00E+3n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of [125I]MRS2500 from human P2Y1R expressed in Sf9 cell membrane

Bioorg Med Chem 20: 5254-61 (2012)


Article DOI: 10.1016/j.bmc.2012.06.044
BindingDB Entry DOI: 10.7270/Q2BP03V2
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50390014
PNG
(CHEMBL2071530)
Show SMILES CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(cc3)C(F)(F)F)cc2)s1
Show InChI InChI=1S/C18H16F3N5O3S2/c1-2-15-24-25-17(30-15)26-31(28,29)14-9-7-13(8-10-14)23-16(27)22-12-5-3-11(4-6-12)18(19,20)21/h3-10H,2H2,1H3,(H,25,26)(H2,22,23,27)
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 1.00E+4n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of [125I]MRS2500 from human P2Y1R expressed in Sf9 cell membrane

Bioorg Med Chem 20: 5254-61 (2012)


Article DOI: 10.1016/j.bmc.2012.06.044
BindingDB Entry DOI: 10.7270/Q2BP03V2
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM59704
PNG
(1-(3,4-dichlorophenyl)-3-[4-[(3,4-dimethyl-1,2-oxa...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c1C
Show InChI InChI=1S/C18H16Cl2N4O4S/c1-10-11(2)23-28-17(10)24-29(26,27)14-6-3-12(4-7-14)21-18(25)22-13-5-8-15(19)16(20)9-13/h3-9,24H,1-2H3,(H2,21,22,25)
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 1.30E+4n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of [125I]MRS2500 from human P2Y1R expressed in Sf9 cell membrane

Bioorg Med Chem 20: 5254-61 (2012)


Article DOI: 10.1016/j.bmc.2012.06.044
BindingDB Entry DOI: 10.7270/Q2BP03V2
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50390015
PNG
(CHEMBL2071532)
Show SMILES Cc1noc(NS(=O)(=O)c2ccc(NC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)c1C
Show InChI InChI=1S/C18H16Cl2N4O4S/c1-10-11(2)23-28-17(10)24-29(26,27)16-5-3-14(4-6-16)21-18(25)22-15-8-12(19)7-13(20)9-15/h3-9,24H,1-2H3,(H2,21,22,25)
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 2.70E+4n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of [125I]MRS2500 from human P2Y1R expressed in Sf9 cell membrane

Bioorg Med Chem 20: 5254-61 (2012)


Article DOI: 10.1016/j.bmc.2012.06.044
BindingDB Entry DOI: 10.7270/Q2BP03V2
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50390016
PNG
(CHEMBL2071534)
Show SMILES Cc1noc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(F)c(Cl)c3)cc2)c1C
Show InChI InChI=1S/C18H16ClFN4O4S/c1-10-11(2)23-28-17(10)24-29(26,27)14-6-3-12(4-7-14)21-18(25)22-13-5-8-16(20)15(19)9-13/h3-9,24H,1-2H3,(H2,21,22,25)
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 4.20E+4n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of [125I]MRS2500 from human P2Y1R expressed in Sf9 cell membrane

Bioorg Med Chem 20: 5254-61 (2012)


Article DOI: 10.1016/j.bmc.2012.06.044
BindingDB Entry DOI: 10.7270/Q2BP03V2
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50390017
PNG
(CHEMBL2071537)
Show SMILES Cc1noc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(cc3)C(F)(F)F)cc2)c1C
Show InChI InChI=1S/C19H17F3N4O4S/c1-11-12(2)25-30-17(11)26-31(28,29)16-9-7-15(8-10-16)24-18(27)23-14-5-3-13(4-6-14)19(20,21)22/h3-10,26H,1-2H3,(H2,23,24,27)
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 4.50E+4n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of [125I]MRS2500 from human P2Y1R expressed in Sf9 cell membrane

Bioorg Med Chem 20: 5254-61 (2012)


Article DOI: 10.1016/j.bmc.2012.06.044
BindingDB Entry DOI: 10.7270/Q2BP03V2
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50390018
PNG
(CHEMBL2071539)
Show SMILES Cc1noc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(C)c(C)c3)cc2)c1C
Show InChI InChI=1S/C20H22N4O4S/c1-12-5-6-17(11-13(12)2)22-20(25)21-16-7-9-18(10-8-16)29(26,27)24-19-14(3)15(4)23-28-19/h5-11,24H,1-4H3,(H2,21,22,25)
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n/an/a 130n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y1R expressed in human 1321N1 cells assessed as inhibition of 2-MeSADP-induced increase in intracellular inositol phos...

Bioorg Med Chem 20: 5254-61 (2012)


Article DOI: 10.1016/j.bmc.2012.06.044
BindingDB Entry DOI: 10.7270/Q2BP03V2
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM59704
PNG
(1-(3,4-dichlorophenyl)-3-[4-[(3,4-dimethyl-1,2-oxa...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c1C
Show InChI InChI=1S/C18H16Cl2N4O4S/c1-10-11(2)23-28-17(10)24-29(26,27)14-6-3-12(4-7-14)21-18(25)22-13-5-8-15(19)16(20)9-13/h3-9,24H,1-2H3,(H2,21,22,25)
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n/an/a 140n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y1R expressed in human 1321N1 cells assessed as inhibition of 2-MeSADP-induced increase in intracellular inositol phos...

Bioorg Med Chem 20: 5254-61 (2012)


Article DOI: 10.1016/j.bmc.2012.06.044
BindingDB Entry DOI: 10.7270/Q2BP03V2
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))		BDBM50366145
PNG
(CHEMBL1957449)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1OCP([O-])([O-])=O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C9H13N2O9P/c12-4-1-2-11(9(15)10-4)7-5(13)6(14)8(20-7)19-3-21(16,17)18/h1-2,5-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t5-,6+,7-,8+/m1/s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as stimulation of PLC-induced [3H]inositol phosphate production afte...

Bioorg Med Chem 20: 2304-15 (2012)


Article DOI: 10.1016/j.bmc.2012.02.012
BindingDB Entry DOI: 10.7270/Q2WM1DWW
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))		BDBM50366146
PNG
(CHEMBL1957448)
Show SMILES O[C@@H]1[C@H](O)[C@]2(CCP([O-])([O-])=O)C[C@@H]2[C@H]1n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C12H17N2O7P/c15-7-1-3-14(11(18)13-7)8-6-5-12(6,10(17)9(8)16)2-4-22(19,20)21/h1,3,6,8-10,16-17H,2,4-5H2,(H,13,15,18)(H2,19,20,21)/p-2/t6-,8-,9+,10+,12-/m1/s1
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n/an/an/an/a 4.00E+3n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as stimulation of PLC-induced [3H]inositol phosphate production afte...

Bioorg Med Chem 20: 2304-15 (2012)


Article DOI: 10.1016/j.bmc.2012.02.012
BindingDB Entry DOI: 10.7270/Q2WM1DWW
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))		BDBM50366147
PNG
(CHEMBL1957447)
Show SMILES O[C@@H]1[C@@H](CCP([O-])([O-])=O)O[C@H]([C@@H]1Cl)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H14ClN2O7P/c11-7-8(15)5(2-4-21(17,18)19)20-9(7)13-3-1-6(14)12-10(13)16/h1,3,5,7-9,15H,2,4H2,(H,12,14,16)(H2,17,18,19)/p-2/t5-,7-,8-,9-/m1/s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as stimulation of PLC-induced [3H]inositol phosphate production afte...

Bioorg Med Chem 20: 2304-15 (2012)


Article DOI: 10.1016/j.bmc.2012.02.012
BindingDB Entry DOI: 10.7270/Q2WM1DWW
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))		BDBM50366148
PNG
(CHEMBL1957446)
Show SMILES N[C@@H]1[C@H](O)[C@@H](CCP([O-])([O-])=O)O[C@H]1n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H16N3O7P/c11-7-8(15)5(2-4-21(17,18)19)20-9(7)13-3-1-6(14)12-10(13)16/h1,3,5,7-9,15H,2,4,11H2,(H,12,14,16)(H2,17,18,19)/p-2/t5-,7-,8-,9-/m1/s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as stimulation of PLC-induced [3H]inositol phosphate production afte...

Bioorg Med Chem 20: 2304-15 (2012)


Article DOI: 10.1016/j.bmc.2012.02.012
BindingDB Entry DOI: 10.7270/Q2WM1DWW
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))		BDBM50366149
PNG
(CHEMBL1957445)
Show SMILES O[C@@H]1[C@@H](CCP(O)(O)=O)O[C@H]([C@@H]1O)n1cc(-c2cc3ccccc3s2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C18H19N2O8PS/c21-14-11(5-6-29(25,26)27)28-17(15(14)22)20-8-10(16(23)19-18(20)24)13-7-9-3-1-2-4-12(9)30-13/h1-4,7-8,11,14-15,17,21-22H,5-6H2,(H,19,23,24)(H2,25,26,27)/t11-,14-,15-,17-/m1/s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as stimulation of PLC-induced [3H]inositol phosphate production afte...

Bioorg Med Chem 20: 2304-15 (2012)


Article DOI: 10.1016/j.bmc.2012.02.012
BindingDB Entry DOI: 10.7270/Q2WM1DWW
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))		BDBM50366150
PNG
(CHEMBL1957444)
Show SMILES O[C@@H]1[C@@H](CCP(O)(O)=O)O[C@H]([C@@H]1O)n1cc(-c2cccs2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C14H17N2O8PS/c17-10-8(3-4-25(21,22)23)24-13(11(10)18)16-6-7(9-2-1-5-26-9)12(19)15-14(16)20/h1-2,5-6,8,10-11,13,17-18H,3-4H2,(H,15,19,20)(H2,21,22,23)/t8-,10-,11-,13-/m1/s1
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n/an/an/an/a 500n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as stimulation of PLC-induced [3H]inositol phosphate production afte...

Bioorg Med Chem 20: 2304-15 (2012)


Article DOI: 10.1016/j.bmc.2012.02.012
BindingDB Entry DOI: 10.7270/Q2WM1DWW
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))		BDBM50366151
PNG
(CHEMBL1957443)
Show SMILES O[C@@H]1[C@@H](CCP(O)(O)=O)O[C@H]([C@@H]1O)n1cc(-c2ccco2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C14H17N2O9P/c17-10-9(3-5-26(21,22)23)25-13(11(10)18)16-6-7(8-2-1-4-24-8)12(19)15-14(16)20/h1-2,4,6,9-11,13,17-18H,3,5H2,(H,15,19,20)(H2,21,22,23)/t9-,10-,11-,13-/m1/s1
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n/an/an/an/a 700n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as stimulation of PLC-induced [3H]inositol phosphate production afte...

Bioorg Med Chem 20: 2304-15 (2012)


Article DOI: 10.1016/j.bmc.2012.02.012
BindingDB Entry DOI: 10.7270/Q2WM1DWW
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))		BDBM50366152
PNG
(CHEMBL1957442)
Show SMILES Cc1ccc(cc1)-c1cn([C@@H]2O[C@H](CCP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C17H21N2O8P/c1-9-2-4-10(5-3-9)11-8-19(17(23)18-15(11)22)16-14(21)13(20)12(27-16)6-7-28(24,25)26/h2-5,8,12-14,16,20-21H,6-7H2,1H3,(H,18,22,23)(H2,24,25,26)/t12-,13-,14-,16-/m1/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as stimulation of PLC-induced [3H]inositol phosphate production afte...

Bioorg Med Chem 20: 2304-15 (2012)


Article DOI: 10.1016/j.bmc.2012.02.012
BindingDB Entry DOI: 10.7270/Q2WM1DWW
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))		BDBM50366153
PNG
(CHEMBL1957441)
Show SMILES O[C@@H]1[C@@H](CCP(O)(O)=O)O[C@H]([C@@H]1O)n1cc(C=Cc2ccccc2)c(=O)[nH]c1=O |r,w:16.16|
Show InChI InChI=1S/C18H21N2O8P/c21-14-13(8-9-29(25,26)27)28-17(15(14)22)20-10-12(16(23)19-18(20)24)7-6-11-4-2-1-3-5-11/h1-7,10,13-15,17,21-22H,8-9H2,(H,19,23,24)(H2,25,26,27)/t13-,14-,15-,17-/m1/s1
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n/an/an/an/a 3.10E+3n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as stimulation of PLC-induced [3H]inositol phosphate production afte...

Bioorg Med Chem 20: 2304-15 (2012)


Article DOI: 10.1016/j.bmc.2012.02.012
BindingDB Entry DOI: 10.7270/Q2WM1DWW
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))		BDBM50366154
PNG
(CHEMBL1957440)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CCP(O)(O)=O)n1cc(-c2ccc(F)cc2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C16H18FN2O8P/c17-9-3-1-8(2-4-9)10-7-19(16(23)18-14(10)22)15-13(21)12(20)11(27-15)5-6-28(24,25)26/h1-4,7,11-13,15,20-21H,5-6H2,(H,18,22,23)(H2,24,25,26)/t11-,12-,13-,15-/m1/s1
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n/an/an/an/a 400n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as stimulation of PLC-induced [3H]inositol phosphate production afte...

Bioorg Med Chem 20: 2304-15 (2012)


Article DOI: 10.1016/j.bmc.2012.02.012
BindingDB Entry DOI: 10.7270/Q2WM1DWW
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))		BDBM50366155
PNG
(CHEMBL1957439)
Show SMILES O[C@@H]1[C@@H](CCP(O)(O)=O)O[C@H]([C@@H]1O)n1cc(-c2ccc3ccccc3c2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C20H21N2O8P/c23-16-15(7-8-31(27,28)29)30-19(17(16)24)22-10-14(18(25)21-20(22)26)13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9-10,15-17,19,23-24H,7-8H2,(H,21,25,26)(H2,27,28,29)/t15-,16-,17-,19-/m1/s1
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n/an/an/an/a 2.10E+3n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as stimulation of PLC-induced [3H]inositol phosphate production afte...

Bioorg Med Chem 20: 2304-15 (2012)


Article DOI: 10.1016/j.bmc.2012.02.012
BindingDB Entry DOI: 10.7270/Q2WM1DWW
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))		BDBM50366156
PNG
(CHEMBL1957438)
Show SMILES O[C@@H]1[C@@H](CCP(O)(O)=O)O[C@H]([C@@H]1O)n1cc(-c2ccccc2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C16H19N2O8P/c19-12-11(6-7-27(23,24)25)26-15(13(12)20)18-8-10(14(21)17-16(18)22)9-4-2-1-3-5-9/h1-5,8,11-13,15,19-20H,6-7H2,(H,17,21,22)(H2,23,24,25)/t11-,12-,13-,15-/m1/s1
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n/an/an/an/a 1.50E+3n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as stimulation of PLC-induced [3H]inositol phosphate production afte...

Bioorg Med Chem 20: 2304-15 (2012)


Article DOI: 10.1016/j.bmc.2012.02.012
BindingDB Entry DOI: 10.7270/Q2WM1DWW
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))		BDBM50258427
PNG
(CHEMBL522015 | uridine5'-methylene-phosphonate)
Show SMILES O[C@@H]1[C@@H](CCP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H15N2O8P/c13-6-1-3-12(10(16)11-6)9-8(15)7(14)5(20-9)2-4-21(17,18)19/h1,3,5,7-9,14-15H,2,4H2,(H,11,13,16)(H2,17,18,19)/t5-,7-,8-,9-/m1/s1
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n/an/an/an/a 5.10E+3n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as stimulation of PLC-induced [3H]inositol phosphate production afte...

Bioorg Med Chem 20: 2304-15 (2012)


Article DOI: 10.1016/j.bmc.2012.02.012
BindingDB Entry DOI: 10.7270/Q2WM1DWW
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Homo sapiens (Human))		BDBM50197974
PNG
(udp-N-acetyl-glucosamine)
Show SMILES CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/p-2/t7-,8+,10-,11-,12+,13-,14+,15+,16-/m0/s1
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n/an/an/an/a 4.38E+3n/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 COS7 cells assessed as stimulation of PLC

Bioorg Med Chem Lett 17: 761-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.081
BindingDB Entry DOI: 10.7270/Q2KW5GW6
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Homo sapiens (Human))		BDBM50197975
PNG
(udp-glucuronic acid)
Show SMILES O[C@@H]1[C@@H](COP([O-])(=O)OP([O-])(=O)O[C@@H]2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)C(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/p-2/t4-,6-,7-,8-,9-,10+,11-,12-,14+/m1/s1
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n/an/an/an/a 370n/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 COS7 cells assessed as stimulation of PLC

Bioorg Med Chem Lett 17: 761-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.081
BindingDB Entry DOI: 10.7270/Q2KW5GW6
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Homo sapiens (Human))		BDBM50370674
PNG
(UDP-GALACTOSE)
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)c2cc(=O)[nH]c(=O)[nH]2)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C15H24N2O17P2/c18-2-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-3-6-9(21)11(23)13(31-6)4-1-7(19)17-15(25)16-4/h1,5-6,8-14,18,20-24H,2-3H2,(H,26,27)(H,28,29)(H2,16,17,19,25)/t5-,6-,8+,9-,10+,11-,12-,13+,14-/m1/s1
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n/an/an/an/a 671n/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 COS7 cells assessed as stimulation of PLC

Bioorg Med Chem Lett 17: 761-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.081
BindingDB Entry DOI: 10.7270/Q2KW5GW6
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50258291
PNG
(9-[5'-Deoxy-5'-[(hydroxyphosphoroxy)phosphinyl]-be...)
Show SMILES O[C@@H]1[C@@H](CP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C9H14N2O11P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(21-8)3-23(16,17)22-24(18,19)20/h1-2,4,6-8,13-14H,3H2,(H,16,17)(H,10,12,15)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1
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n/an/an/an/a 1.90E+3n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells coexpressing phospholipase C-activating G protein assessed as inositol phosph...

Bioorg Med Chem Lett 19: 3002-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.027
BindingDB Entry DOI: 10.7270/Q20K28GT
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


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



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as stimulation of PLC-induced [3H]inositol phosphate production afte...

Bioorg Med Chem 20: 2304-15 (2012)


Article DOI: 10.1016/j.bmc.2012.02.012
BindingDB Entry DOI: 10.7270/Q2WM1DWW
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))		BDBM50258288
PNG
(9-[5'-Deoxy-5'-[(hydroxypyrophosphoroxy)phosphinyl...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H16N5O12P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-28(18,19)26-30(23,24)27-29(20,21)22/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,23,24)(H2,11,12,13)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1
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n/an/an/an/a 1.40E+3n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells coexpressing phospholipase C-activating G protein assessed as inositol phosph...

Bioorg Med Chem Lett 19: 3002-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.027
BindingDB Entry DOI: 10.7270/Q20K28GT
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))		BDBM2
PNG
(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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n/an/an/an/a 85n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells coexpressing phospholipase C-activating G protein assessed as inositol phosph...

Bioorg Med Chem Lett 19: 3002-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.027
BindingDB Entry DOI: 10.7270/Q20K28GT
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))		BDBM50258289
PNG
(9-[5'-Deoxy-5'-[(hydroxypyrophosphoroxy)phosphinyl...)
Show SMILES O[C@@H]1[C@@H](CP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C9H15N2O14P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(23-8)3-26(16,17)24-28(21,22)25-27(18,19)20/h1-2,4,6-8,13-14H,3H2,(H,16,17)(H,21,22)(H,10,12,15)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1
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n/an/an/an/a 8.60E+3n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells coexpressing phospholipase C-activating G protein assessed as inositol phosph...

Bioorg Med Chem Lett 19: 3002-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.027
BindingDB Entry DOI: 10.7270/Q20K28GT
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))		BDBM50258427
PNG
(CHEMBL522015 | uridine5'-methylene-phosphonate)
Show SMILES O[C@@H]1[C@@H](CCP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H15N2O8P/c13-6-1-3-12(10(16)11-6)9-8(15)7(14)5(20-9)2-4-21(17,18)19/h1,3,5,7-9,14-15H,2,4H2,(H,11,13,16)(H2,17,18,19)/t5-,7-,8-,9-/m1/s1
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n/an/an/an/a 1.60E+3n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells coexpressing phospholipase C-activating G protein assessed as inositol phosph...

Bioorg Med Chem Lett 19: 3002-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.027
BindingDB Entry DOI: 10.7270/Q20K28GT
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))		BDBM50258291
PNG
(9-[5'-Deoxy-5'-[(hydroxyphosphoroxy)phosphinyl]-be...)
Show SMILES O[C@@H]1[C@@H](CP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C9H14N2O11P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(21-8)3-23(16,17)22-24(18,19)20/h1-2,4,6-8,13-14H,3H2,(H,16,17)(H,10,12,15)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1
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n/an/an/an/a 3.40E+3n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells coexpressing phospholipase C-activating G protein assessed as inositol phosph...

Bioorg Med Chem Lett 19: 3002-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.027
BindingDB Entry DOI: 10.7270/Q20K28GT
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Homo sapiens (Human))		BDBM50423218
PNG
(5''-Diphosphoglucose | UDPG | URIDINE DIPHOSPHATE ...)
Show SMILES OC[C@H]1O[C@H](O[P@](O)(=O)O[P@](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/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)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,16,19,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1
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n/an/an/an/a 354n/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 COS7 cells assessed as stimulation of PLC

Bioorg Med Chem Lett 17: 761-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.081
BindingDB Entry DOI: 10.7270/Q2KW5GW6
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))		BDBM50258290
PNG
(1-[5,6-Dideoxy-6-[(hydroxypyrophosphoroxy)phosphon...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1C=CP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc(=O)[nH]c1=O |r,w:8.9|
Show InChI InChI=1S/C10H15N2O14P3/c13-6-1-3-12(10(16)11-6)9-8(15)7(14)5(24-9)2-4-27(17,18)25-29(22,23)26-28(19,20)21/h1-5,7-9,14-15H,(H,17,18)(H,22,23)(H,11,13,16)(H2,19,20,21)/t5-,7-,8-,9-/m1/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells coexpressing phospholipase C-activating G protein assessed as inositol phosph...

Bioorg Med Chem Lett 19: 3002-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.027
BindingDB Entry DOI: 10.7270/Q20K28GT
More data for this
Ligand-Target Pair