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Compile Data Set for Download or QSAR

Found 55 hits Enz. Inhib. hit(s) with all data for entry = 50039001   
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 14


(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 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 14


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



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 53: 471-80 (2010)


Article DOI: 10.1021/jm901432g
BindingDB Entry DOI: 10.7270/Q2W95B4M
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Homo sapiens (Human))
BDBM50303339
PNG
(({[(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-dihydro-2H-pyrim...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)C(F)(F)P(O)(O)=O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H14F2N2O11P2/c11-10(12,26(19,20)21)27(22,23)24-3-4-6(16)7(17)8(25-4)14-2-1-5(15)13-9(14)18/h1-2,4,6-8,16-17H,3H2,(H,22,23)(H,13,15,18)(H2,19,20,21)/t4-,6-,7-,8-/m1/s1
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n/an/an/an/a 63n/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 14


(Homo sapiens (Human))
BDBM50303340
PNG
(({[(2R,3S,4R,5R)-3,4-Dihydroxy-5-(5-iodo-2,4-dioxo...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)C(F)(F)P(O)(O)=O)n1cc(I)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H13F2IN2O11P2/c11-10(12,27(20,21)22)28(23,24)25-2-4-5(16)6(17)8(26-4)15-1-3(13)7(18)14-9(15)19/h1,4-6,8,16-17H,2H2,(H,23,24)(H,14,18,19)(H2,20,21,22)/t4-,5-,6-,8-/m1/s1
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n/an/an/an/a 142n/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 14


(Homo sapiens (Human))
BDBM50303341
PNG
(Diphosphoric Acid 1-beta-Methyl Ester 2-(Uridine-5...)
Show SMILES COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H16N2O12P2/c1-21-25(17,18)24-26(19,20)22-4-5-7(14)8(15)9(23-5)12-3-2-6(13)11-10(12)16/h2-3,5,7-9,14-15H,4H2,1H3,(H,17,18)(H,19,20)(H,11,13,16)/p-2/t5-,7-,8-,9-/m1/s1
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n/an/an/an/a 2.73E+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 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 14


(Homo sapiens (Human))
BDBM50303342
PNG
(Diphosphoric Acid 1-beta-Methyl Ester 2-(2-Thiouri...)
Show SMILES COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=S |r|
Show InChI InChI=1S/C10H16N2O11P2S/c1-20-24(16,17)23-25(18,19)21-4-5-7(14)8(15)9(22-5)12-3-2-6(13)11-10(12)26/h2-3,5,7-9,14-15H,4H2,1H3,(H,16,17)(H,18,19)(H,11,13,26)/p-2/t5-,7-,8-,9-/m1/s1
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n/an/an/an/a 56n/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 14


(Homo sapiens (Human))
BDBM50303343
PNG
(Diphosphoric Acid 1-beta-Ethyl Ester 2-(2-Thiourid...)
Show SMILES CCOP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=S |r|
Show InChI InChI=1S/C11H18N2O11P2S/c1-2-21-25(17,18)24-26(19,20)22-5-6-8(15)9(16)10(23-6)13-4-3-7(14)12-11(13)27/h3-4,6,8-10,15-16H,2,5H2,1H3,(H,17,18)(H,19,20)(H,12,14,27)/p-2/t6-,8-,9-,10-/m1/s1
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n/an/an/an/a 39n/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 14


(Homo sapiens (Human))
BDBM50303344
PNG
(Diphosphoric Acid 1-beta-Propyl Ester 2-(2-Thiouri...)
Show SMILES CCCOP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=S |r|
Show InChI InChI=1S/C12H20N2O11P2S/c1-2-5-22-26(18,19)25-27(20,21)23-6-7-9(16)10(17)11(24-7)14-4-3-8(15)13-12(14)28/h3-4,7,9-11,16-17H,2,5-6H2,1H3,(H,18,19)(H,20,21)(H,13,15,28)/p-2/t7-,9-,10-,11-/m1/s1
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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 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 14


(Homo sapiens (Human))
BDBM50303332
PNG
(Diphosphoric Acid 1-beta-(2-Cyanoethyl)Ester 2-(Ur...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])(=O)OP([O-])(=O)OCCC#N)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C12H17N3O12P2/c13-3-1-5-24-28(20,21)27-29(22,23)25-6-7-9(17)10(18)11(26-7)15-4-2-8(16)14-12(15)19/h2,4,7,9-11,17-18H,1,5-6H2,(H,20,21)(H,22,23)(H,14,16,19)/p-2/t7-,9-,10-,11-/m1/s1
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n/an/an/an/a 7.46E+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 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 14


(Homo sapiens (Human))
BDBM50303345
PNG
(Diphosphoric Acid 1-beta-(3-Butynyl)Ester 2-(Uridi...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])(=O)OP([O-])(=O)OCCC#C)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C13H18N2O12P2/c1-2-3-6-24-28(20,21)27-29(22,23)25-7-8-10(17)11(18)12(26-8)15-5-4-9(16)14-13(15)19/h1,4-5,8,10-12,17-18H,3,6-7H2,(H,20,21)(H,22,23)(H,14,16,19)/p-2/t8-,10-,11-,12-/m1/s1
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n/an/an/an/a 480n/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 14


(Homo sapiens (Human))
BDBM50303333
PNG
(Diphosphoric Acid 1-beta-(3-Butynyl)Ester 2-(2-Thi...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])(=O)OP([O-])(=O)OCCC#C)n1ccc(=O)[nH]c1=S |r|
Show InChI InChI=1S/C13H18N2O11P2S/c1-2-3-6-23-27(19,20)26-28(21,22)24-7-8-10(17)11(18)12(25-8)15-5-4-9(16)14-13(15)29/h1,4-5,8,10-12,17-18H,3,6-7H2,(H,19,20)(H,21,22)(H,14,16,29)/p-2/t8-,10-,11-,12-/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 14


(Homo sapiens (Human))
BDBM50303334
PNG
(Diphosphoric Acid 1-r-Glycerol Ester 2-(Uridine-5'...)
Show SMILES OCC(O)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C12H20N2O14P2/c15-3-6(16)4-25-29(21,22)28-30(23,24)26-5-7-9(18)10(19)11(27-7)14-2-1-8(17)13-12(14)20/h1-2,6-7,9-11,15-16,18-19H,3-5H2,(H,21,22)(H,23,24)(H,13,17,20)/p-2/t6?,7-,9-,10-,11-/m1/s1
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n/an/an/an/a 1.60E+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 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 14


(Homo sapiens (Human))
BDBM50303335
PNG
(Diphosphoric Acid 1-beta-Glycerol Ester 2-(Uridine...)
Show SMILES OCC(CO)OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C12H20N2O14P2/c15-3-6(4-16)27-30(23,24)28-29(21,22)25-5-7-9(18)10(19)11(26-7)14-2-1-8(17)13-12(14)20/h1-2,6-7,9-11,15-16,18-19H,3-5H2,(H,21,22)(H,23,24)(H,13,17,20)/p-2/t7-,9-,10-,11-/m1/s1
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n/an/an/an/a 167n/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 14


(Homo sapiens (Human))
BDBM50303346
PNG
(Diphosphoric Acid 1-beta-tert-Butyl Ester 2-(Uridi...)
Show SMILES CC(C)(C)OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C13H22N2O12P2/c1-13(2,3)26-29(22,23)27-28(20,21)24-6-7-9(17)10(18)11(25-7)15-5-4-8(16)14-12(15)19/h4-5,7,9-11,17-18H,6H2,1-3H3,(H,20,21)(H,22,23)(H,14,16,19)/p-2/t7-,9-,10-,11-/m1/s1
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n/an/an/an/a 252n/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 14


(Homo sapiens (Human))
BDBM50303347
PNG
(Diphosphoric Acid 1-beta-tert-Butyl Ester 2-(2-Thi...)
Show SMILES CC(C)(C)OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=S |r|
Show InChI InChI=1S/C13H22N2O11P2S/c1-13(2,3)25-28(21,22)26-27(19,20)23-6-7-9(17)10(18)11(24-7)15-5-4-8(16)14-12(15)29/h4-5,7,9-11,17-18H,6H2,1-3H3,(H,19,20)(H,21,22)(H,14,16,29)/p-2/t7-,9-,10-,11-/m1/s1
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n/an/an/an/a 32n/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 14


(Homo sapiens (Human))
BDBM50303336
PNG
(Diphosphoric Acid 1-beta-Cyclohexyl Ester 2-(Uridi...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])(=O)OP([O-])(=O)OC1CCCCC1)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C15H24N2O12P2/c18-11-6-7-17(15(21)16-11)14-13(20)12(19)10(27-14)8-26-30(22,23)29-31(24,25)28-9-4-2-1-3-5-9/h6-7,9-10,12-14,19-20H,1-5,8H2,(H,22,23)(H,24,25)(H,16,18,21)/p-2/t10-,12-,13-,14-/m1/s1
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n/an/an/an/a 5.16E+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 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 14


(Homo sapiens (Human))
BDBM50303348
PNG
(Diphosphoric Acid 1-beta-Phenyl Ester 2-(Uridine-5...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])(=O)OP([O-])(=O)Oc1ccccc1)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C15H18N2O12P2/c18-11-6-7-17(15(21)16-11)14-13(20)12(19)10(27-14)8-26-30(22,23)29-31(24,25)28-9-4-2-1-3-5-9/h1-7,10,12-14,19-20H,8H2,(H,22,23)(H,24,25)(H,16,18,21)/p-2/t10-,12-,13-,14-/m1/s1
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n/an/an/an/a 768n/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 14


(Homo sapiens (Human))
BDBM50303349
PNG
(Diphosphoric Acid 1-beta-(4-Nitrophenyl)Ester 2-(U...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])(=O)OP([O-])(=O)Oc1ccc(cc1)[N+]([O-])=O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C15H17N3O14P2/c19-11-5-6-17(15(22)16-11)14-13(21)12(20)10(30-14)7-29-33(25,26)32-34(27,28)31-9-3-1-8(2-4-9)18(23)24/h1-6,10,12-14,20-21H,7H2,(H,25,26)(H,27,28)(H,16,19,22)/p-2/t10-,12-,13-,14-/m1/s1
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n/an/an/an/a 1.49E+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 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 14


(Homo sapiens (Human))
BDBM50303350
PNG
(Diphosphoric Acid 1-beta-(3-Chlorophenyl)Ester 2-(...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])(=O)OP([O-])(=O)Oc1cccc(Cl)c1)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C15H17ClN2O12P2/c16-8-2-1-3-9(6-8)29-32(25,26)30-31(23,24)27-7-10-12(20)13(21)14(28-10)18-5-4-11(19)17-15(18)22/h1-6,10,12-14,20-21H,7H2,(H,23,24)(H,25,26)(H,17,19,22)/p-2/t10-,12-,13-,14-/m1/s1
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n/an/an/an/a 1.80E+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 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 14


(Homo sapiens (Human))
BDBM50303337
PNG
(Diphosphoric Acid 1-beta-(4-Methoxyphenyl)Ester 2-...)
Show SMILES COc1ccc(OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)cc1 |r|
Show InChI InChI=1S/C16H20N2O13P2/c1-27-9-2-4-10(5-3-9)30-33(25,26)31-32(23,24)28-8-11-13(20)14(21)15(29-11)18-7-6-12(19)17-16(18)22/h2-7,11,13-15,20-21H,8H2,1H3,(H,23,24)(H,25,26)(H,17,19,22)/p-2/t11-,13-,14-,15-/m1/s1
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n/an/an/an/a 1.90E+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 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))
BDBM50303341
PNG
(Diphosphoric Acid 1-beta-Methyl Ester 2-(Uridine-5...)
Show SMILES COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H16N2O12P2/c1-21-25(17,18)24-26(19,20)22-4-5-7(14)8(15)9(23-5)12-3-2-6(13)11-10(12)16/h2-3,5,7-9,14-15H,4H2,1H3,(H,17,18)(H,19,20)(H,11,13,16)/p-2/t5-,7-,8-,9-/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 6


(Homo sapiens (Human))
BDBM50303342
PNG
(Diphosphoric Acid 1-beta-Methyl Ester 2-(2-Thiouri...)
Show SMILES COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=S |r|
Show InChI InChI=1S/C10H16N2O11P2S/c1-20-24(16,17)23-25(18,19)21-4-5-7(14)8(15)9(22-5)12-3-2-6(13)11-10(12)26/h2-3,5,7-9,14-15H,4H2,1H3,(H,16,17)(H,18,19)(H,11,13,26)/p-2/t5-,7-,8-,9-/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 6


(Homo sapiens (Human))
BDBM50303343
PNG
(Diphosphoric Acid 1-beta-Ethyl Ester 2-(2-Thiourid...)
Show SMILES CCOP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=S |r|
Show InChI InChI=1S/C11H18N2O11P2S/c1-2-21-25(17,18)24-26(19,20)22-5-6-8(15)9(16)10(23-6)13-4-3-7(14)12-11(13)27/h3-4,6,8-10,15-16H,2,5H2,1H3,(H,17,18)(H,19,20)(H,12,14,27)/p-2/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 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 6


(Homo sapiens (Human))
BDBM50303332
PNG
(Diphosphoric Acid 1-beta-(2-Cyanoethyl)Ester 2-(Ur...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])(=O)OP([O-])(=O)OCCC#N)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C12H17N3O12P2/c13-3-1-5-24-28(20,21)27-29(22,23)25-6-7-9(17)10(18)11(26-7)15-4-2-8(16)14-12(15)19/h2,4,7,9-11,17-18H,1,5-6H2,(H,20,21)(H,22,23)(H,14,16,19)/p-2/t7-,9-,10-,11-/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 6


(Homo sapiens (Human))
BDBM50303333
PNG
(Diphosphoric Acid 1-beta-(3-Butynyl)Ester 2-(2-Thi...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])(=O)OP([O-])(=O)OCCC#C)n1ccc(=O)[nH]c1=S |r|
Show InChI InChI=1S/C13H18N2O11P2S/c1-2-3-6-23-27(19,20)26-28(21,22)24-7-8-10(17)11(18)12(25-8)15-5-4-9(16)14-13(15)29/h1,4-5,8,10-12,17-18H,3,6-7H2,(H,19,20)(H,21,22)(H,14,16,29)/p-2/t8-,10-,11-,12-/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 6


(Homo sapiens (Human))
BDBM50303334
PNG
(Diphosphoric Acid 1-r-Glycerol Ester 2-(Uridine-5'...)
Show SMILES OCC(O)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C12H20N2O14P2/c15-3-6(16)4-25-29(21,22)28-30(23,24)26-5-7-9(18)10(19)11(27-7)14-2-1-8(17)13-12(14)20/h1-2,6-7,9-11,15-16,18-19H,3-5H2,(H,21,22)(H,23,24)(H,13,17,20)/p-2/t6?,7-,9-,10-,11-/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 6


(Homo sapiens (Human))
BDBM50303335
PNG
(Diphosphoric Acid 1-beta-Glycerol Ester 2-(Uridine...)
Show SMILES OCC(CO)OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C12H20N2O14P2/c15-3-6(4-16)27-30(23,24)28-29(21,22)25-5-7-9(18)10(19)11(26-7)14-2-1-8(17)13-12(14)20/h1-2,6-7,9-11,15-16,18-19H,3-5H2,(H,21,22)(H,23,24)(H,13,17,20)/p-2/t7-,9-,10-,11-/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 6


(Homo sapiens (Human))
BDBM50303336
PNG
(Diphosphoric Acid 1-beta-Cyclohexyl Ester 2-(Uridi...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])(=O)OP([O-])(=O)OC1CCCCC1)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C15H24N2O12P2/c18-11-6-7-17(15(21)16-11)14-13(20)12(19)10(27-14)8-26-30(22,23)29-31(24,25)28-9-4-2-1-3-5-9/h6-7,9-10,12-14,19-20H,1-5,8H2,(H,22,23)(H,24,25)(H,16,18,21)/p-2/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 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 6


(Homo sapiens (Human))
BDBM50303337
PNG
(Diphosphoric Acid 1-beta-(4-Methoxyphenyl)Ester 2-...)
Show SMILES COc1ccc(OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)cc1 |r|
Show InChI InChI=1S/C16H20N2O13P2/c1-27-9-2-4-10(5-3-9)30-33(25,26)31-32(23,24)28-8-11-13(20)14(21)15(29-11)18-7-6-12(19)17-16(18)22/h2-7,11,13-15,20-21H,8H2,1H3,(H,23,24)(H,25,26)(H,17,19,22)/p-2/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 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 6


(Homo sapiens (Human))
BDBM50209659
PNG
(UDP-alpha-D-glucose | uridine 5'-[3-alpha-D-glucop...)
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(=O)[nH]c2=O)[C@H](O)[C@@H](O)[C@@H]1O
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 1.60E+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 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 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 530n/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 6


(Homo sapiens (Human))
BDBM50194160
PNG
((2R,3R,4S,5R)-1-(3,4-dihydroxy-5-(diphosphoryloxym...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)n1ccc(=O)[nH]c1=S
Show InChI InChI=1S/C9H14N2O11P2S/c12-5-1-2-11(9(25)10-5)8-7(14)6(13)4(21-8)3-20-24(18,19)22-23(15,16)17/h1-2,4,6-8,13-14H,3H2,(H,18,19)(H,10,12,25)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1
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n/an/an/an/a 447n/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 6


(Homo sapiens (Human))
BDBM50194147
PNG
(4-Thio-UDP | CHEMBL384992 | [(2R,3S,4R,5R)-3,4-dih...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)n1ccc(=S)[nH]c1=O
Show InChI InChI=1S/C9H14N2O11P2S/c12-6-4(3-20-24(18,19)22-23(15,16)17)21-8(7(6)13)11-2-1-5(25)10-9(11)14/h1-2,4,6-8,12-13H,3H2,(H,18,19)(H,10,14,25)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1
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n/an/an/an/a 2.36E+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 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 6


(Homo sapiens (Human))
BDBM50303351
PNG
(triethylazanium ({[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,...)
Show SMILES CP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H16N2O11P2/c1-24(17,18)23-25(19,20)21-4-5-7(14)8(15)9(22-5)12-3-2-6(13)11-10(12)16/h2-3,5,7-9,14-15H,4H2,1H3,(H,17,18)(H,19,20)(H,11,13,16)/p-2/t5-,7-,8-,9-/m1/s1
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n/an/an/an/a 8.00E+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 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 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 70n/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 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 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 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 339n/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 6


(Homo sapiens (Human))
BDBM50303338
PNG
(2-Thiouridine-5'-alpha,beta-methylene Diphosphate,...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])(=O)CP(O)([O-])=O)n1ccc(=O)[nH]c1=S |r|
Show InChI InChI=1S/C10H16N2O10P2S/c13-6-1-2-12(10(25)11-6)9-8(15)7(14)5(22-9)3-21-24(19,20)4-23(16,17)18/h1-2,5,7-9,14-15H,3-4H2,(H,19,20)(H,11,13,25)(H2,16,17,18)/p-2/t5-,7-,8-,9-/m1/s1
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n/an/an/an/a 1.99E+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 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 6


(Homo sapiens (Human))
BDBM50303340
PNG
(({[(2R,3S,4R,5R)-3,4-Dihydroxy-5-(5-iodo-2,4-dioxo...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)C(F)(F)P(O)(O)=O)n1cc(I)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H13F2IN2O11P2/c11-10(12,27(20,21)22)28(23,24)25-2-4-5(16)6(17)8(26-4)15-1-3(13)7(18)14-9(15)19/h1,4-6,8,16-17H,2H2,(H,23,24)(H,14,18,19)(H2,20,21,22)/t4-,5-,6-,8-/m1/s1
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n/an/an/an/a 127n/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 6


(Homo sapiens (Human))
BDBM50303354
PNG
(Diphosphoric Acid 1-beta-Methyl Ester 2-(4-Thiouri...)
Show SMILES COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=S)[nH]c1=O |r|
Show InChI InChI=1S/C10H16N2O11P2S/c1-20-24(16,17)23-25(18,19)21-4-5-7(13)8(14)9(22-5)12-3-2-6(26)11-10(12)15/h2-3,5,7-9,13-14H,4H2,1H3,(H,16,17)(H,18,19)(H,11,15,26)/p-2/t5-,7-,8-,9-/m1/s1
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n/an/an/an/a 1.04E+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 6


(Homo sapiens (Human))
BDBM50303344
PNG
(Diphosphoric Acid 1-beta-Propyl Ester 2-(2-Thiouri...)
Show SMILES CCCOP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=S |r|
Show InChI InChI=1S/C12H20N2O11P2S/c1-2-5-22-26(18,19)25-27(20,21)23-6-7-9(16)10(17)11(24-7)14-4-3-8(15)13-12(14)28/h3-4,7,9-11,16-17H,2,5-6H2,1H3,(H,18,19)(H,20,21)(H,13,15,28)/p-2/t7-,9-,10-,11-/m1/s1
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n/an/an/an/a 9.10E+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 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 6


(Homo sapiens (Human))
BDBM50303345
PNG
(Diphosphoric Acid 1-beta-(3-Butynyl)Ester 2-(Uridi...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])(=O)OP([O-])(=O)OCCC#C)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C13H18N2O12P2/c1-2-3-6-24-28(20,21)27-29(22,23)25-7-8-10(17)11(18)12(26-8)15-5-4-9(16)14-13(15)19/h1,4-5,8,10-12,17-18H,3,6-7H2,(H,20,21)(H,22,23)(H,14,16,19)/p-2/t8-,10-,11-,12-/m1/s1
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n/an/an/an/a 1.52E+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 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 6


(Homo sapiens (Human))
BDBM50303346
PNG
(Diphosphoric Acid 1-beta-tert-Butyl Ester 2-(Uridi...)
Show SMILES CC(C)(C)OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C13H22N2O12P2/c1-13(2,3)26-29(22,23)27-28(20,21)24-6-7-9(17)10(18)11(25-7)15-5-4-8(16)14-12(15)19/h4-5,7,9-11,17-18H,6H2,1-3H3,(H,20,21)(H,22,23)(H,14,16,19)/p-2/t7-,9-,10-,11-/m1/s1
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n/an/an/an/a 1.08E+5n/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 6


(Homo sapiens (Human))
BDBM50303347
PNG
(Diphosphoric Acid 1-beta-tert-Butyl Ester 2-(2-Thi...)
Show SMILES CC(C)(C)OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=S |r|
Show InChI InChI=1S/C13H22N2O11P2S/c1-13(2,3)25-28(21,22)26-27(19,20)23-6-7-9(17)10(18)11(24-7)15-5-4-8(16)14-12(15)29/h4-5,7,9-11,17-18H,6H2,1-3H3,(H,19,20)(H,21,22)(H,14,16,29)/p-2/t7-,9-,10-,11-/m1/s1
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n/an/an/an/a 2.04E+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 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 6


(Homo sapiens (Human))
BDBM50303348
PNG
(Diphosphoric Acid 1-beta-Phenyl Ester 2-(Uridine-5...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])(=O)OP([O-])(=O)Oc1ccccc1)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C15H18N2O12P2/c18-11-6-7-17(15(21)16-11)14-13(20)12(19)10(27-14)8-26-30(22,23)29-31(24,25)28-9-4-2-1-3-5-9/h1-7,10,12-14,19-20H,8H2,(H,22,23)(H,24,25)(H,16,18,21)/p-2/t10-,12-,13-,14-/m1/s1
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n/an/an/an/a 7.40E+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 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 6


(Homo sapiens (Human))
BDBM50303349
PNG
(Diphosphoric Acid 1-beta-(4-Nitrophenyl)Ester 2-(U...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])(=O)OP([O-])(=O)Oc1ccc(cc1)[N+]([O-])=O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C15H17N3O14P2/c19-11-5-6-17(15(22)16-11)14-13(21)12(20)10(30-14)7-29-33(25,26)32-34(27,28)31-9-3-1-8(2-4-9)18(23)24/h1-6,10,12-14,20-21H,7H2,(H,25,26)(H,27,28)(H,16,19,22)/p-2/t10-,12-,13-,14-/m1/s1
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n/an/an/an/a 2.76E+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 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 6


(Homo sapiens (Human))
BDBM50303350
PNG
(Diphosphoric Acid 1-beta-(3-Chlorophenyl)Ester 2-(...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])(=O)OP([O-])(=O)Oc1cccc(Cl)c1)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C15H17ClN2O12P2/c16-8-2-1-3-9(6-8)29-32(25,26)30-31(23,24)27-7-10-12(20)13(21)14(28-10)18-5-4-11(19)17-15(18)22/h1-6,10,12-14,20-21H,7H2,(H,23,24)(H,25,26)(H,17,19,22)/p-2/t10-,12-,13-,14-/m1/s1
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n/an/an/an/a 7.37E+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 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 14


(Homo sapiens (Human))
BDBM50209659
PNG
(UDP-alpha-D-glucose | uridine 5'-[3-alpha-D-glucop...)
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(=O)[nH]c2=O)[C@H](O)[C@@H](O)[C@@H]1O
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 400n/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 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 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
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