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Compile Data Set for Download or QSAR

Found 319 hits of ec50 data for polymerid = 50000312   
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 6


(Homo sapiens (Human))		BDBM50421161
PNG
(CHEMBL2086761)
Show SMILES B[P@@](=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(OC)c(=O)[nH]c1=O)OP(O)(O)=O |r|
Show InChI InChI=1S/C10H17BN2O12P2/c1-22-4-2-13(10(17)12-8(4)16)9-7(15)6(14)5(24-9)3-23-26(11,18)25-27(19,20)21/h2,5-7,9,14-15H,3,11H2,1H3,(H,12,16,17)(H2,19,20,21)/t5-,6-,7-,9-,26-/m1/s1
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n/an/an/an/a 8n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at human GFP-tagged P2Y6 receptor expressed in human 1321N1 cells assessed as intracellular calcium mobilization by fura2/AM-based f...

Bioorg Med Chem 20: 5483-95 (2012)


Article DOI: 10.1016/j.bmc.2012.07.042
BindingDB Entry DOI: 10.7270/Q21837S1
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50496863
PNG
(CHEMBL3220052)
Show SMILES CCN(CC)CC.Nc1ccc2c(-c3ccc(cc3C(O)=O)C(=O)NCCCCCCn3cc(CCC#Cc4cccc(CO\N=c5\ccn([C@@H]6O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]6O)c(=O)[nH]5)c4)nn3)c3ccc(=N)c(c3oc2c1S(O)(=O)=O)S(O)(=O)=O |r,wU:50.49,52.52,wD:63.63,65.66,(35.46,-11.01,;34.13,-10.24,;32.79,-11.01,;31.46,-10.24,;31.46,-8.7,;32.79,-12.55,;31.46,-13.32,;35.68,-5.99,;37,-6.79,;36.96,-8.35,;38.29,-9.15,;39.64,-8.41,;40.96,-9.2,;40.93,-10.74,;39.58,-11.49,;39.56,-13.03,;40.87,-13.81,;42.22,-13.07,;42.25,-11.53,;43.6,-10.79,;44.92,-11.58,;44.66,-9.67,;40.85,-15.35,;42.17,-16.15,;39.5,-16.1,;39.47,-17.64,;38.12,-18.38,;38.1,-19.92,;36.75,-20.67,;36.72,-22.21,;35.38,-22.96,;35.35,-24.5,;33.85,-24.86,;33.74,-26.39,;32.43,-27.2,;31.08,-26.47,;29.77,-27.28,;28.46,-28.09,;27.15,-28.9,;27.2,-30.45,;25.88,-31.26,;24.53,-30.52,;24.5,-28.99,;23.14,-28.25,;21.83,-29.06,;20.48,-28.32,;19.16,-29.13,;17.81,-28.4,;16.49,-29.21,;16.54,-30.74,;15.22,-31.55,;13.96,-30.66,;12.73,-31.59,;11.39,-30.84,;10.07,-31.63,;8.72,-30.89,;9.41,-29.5,;7.87,-29.58,;7.4,-31.68,;6.05,-30.93,;4.73,-31.72,;4.96,-29.83,;6.81,-29.58,;13.23,-33.04,;12.35,-34.3,;14.77,-33.02,;15.7,-34.25,;17.88,-31.47,;17.92,-33.01,;19.2,-30.67,;25.8,-28.18,;35.16,-26.98,;36.16,-25.81,;42.31,-8.46,;43.62,-9.25,;44.97,-8.5,;44.99,-6.96,;46.34,-6.21,;43.68,-6.18,;42.34,-6.92,;41.02,-6.13,;39.68,-6.86,;38.36,-6.05,;38.4,-4.51,;39.75,-3.78,;37.07,-5.3,;37.28,-3.44,;43.7,-4.64,;45.05,-3.89,;42.16,-4.67,;42.88,-3.32,)|
Show InChI InChI=1S/C49H51N9O22P2S2.C6H15N/c50-35-16-14-32-39(33-15-17-36(51)45(84(73,74)75)43(33)79-42(32)44(35)83(70,71)72)31-13-12-29(23-34(31)48(62)63)46(61)52-19-5-1-2-6-20-57-24-30(54-56-57)11-4-3-8-27-9-7-10-28(22-27)25-76-55-38-18-21-58(49(64)53-38)47-41(60)40(59)37(78-47)26-77-82(68,69)80-81(65,66)67;1-4-7(5-2)6-3/h7,9-10,12-18,21-24,37,40-41,47,50,59-60H,1-2,4-6,11,19-20,25-26,51H2,(H,52,61)(H,62,63)(H,68,69)(H,53,55,64)(H2,65,66,67)(H,70,71,72)(H,73,74,75);4-6H2,1-3H3/t37-,40-,41-,47-;/m1./s1
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n/an/an/an/a 9n/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 using [3H]inositol as substrate assessed as [3H]inositol phosphat...

Medchemcomm 4: 1156-1165 (2013)


Article DOI: 10.1039/c3md00132f
BindingDB Entry DOI: 10.7270/Q20G3P36
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50496853
PNG
(CHEMBL1198754)
Show SMILES CO\N=c1\ccn([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)[nH]1 |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 12n/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 using [3H]inositol as substrate assessed as [3H]inositol phosphat...

Medchemcomm 4: 1156-1165 (2013)


Article DOI: 10.1039/c3md00132f
BindingDB Entry DOI: 10.7270/Q20G3P36
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(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 12n/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 13n/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 1321N1 cells assessed as PLC-mediated [3H]IP production

J Med Chem 49: 5532-43 (2006)


Article DOI: 10.1021/jm060485n
BindingDB Entry DOI: 10.7270/Q2ZC83NW
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50306710
PNG
(((2R,3S,4R,5R)-3,4-dihydroxy-5-(5-iodo-2,4-dioxo-3...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)n1cc(I)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C9H13IN2O12P2/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(23-8)2-22-26(20,21)24-25(17,18)19/h1,4-6,8,13-14H,2H2,(H,20,21)(H,11,15,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1
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n/an/an/an/a 13n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at P2Y6 receptor expressed in human 1321N1 cells assessed as inositol phosphate accumulation

Bioorg Med Chem 20: 5483-95 (2012)


Article DOI: 10.1016/j.bmc.2012.07.042
BindingDB Entry DOI: 10.7270/Q21837S1
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50306710
PNG
(((2R,3S,4R,5R)-3,4-dihydroxy-5-(5-iodo-2,4-dioxo-3...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)n1cc(I)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C9H13IN2O12P2/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(23-8)2-22-26(20,21)24-25(17,18)19/h1,4-6,8,13-14H,2H2,(H,20,21)(H,11,15,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1
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n/an/an/an/a 13n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as calcium elevation by fura2/AM assay

J Med Chem 53: 1673-85 (2010)


Article DOI: 10.1021/jm901450d
BindingDB Entry DOI: 10.7270/Q2ZW1MWR
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50403871
PNG
(URIDINE_DIPHOSPHATE)
Show SMILES O[C@@H]1[C@@H](CO[P@](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 15n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Measure of Agonist Potency at human P2Y purinoceptor 6 (hP2Y6) stably expressed in 131N1 astrocytoma cell

J Med Chem 45: 208-18 (2001)


BindingDB Entry DOI: 10.7270/Q2JS9R58
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50194152
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)n1c(I)cc(=O)[nH]c1=O
Show InChI InChI=1S/C9H13IN2O12P2/c10-4-1-5(13)11-9(16)12(4)8-7(15)6(14)3(23-8)2-22-26(20,21)24-25(17,18)19/h1,3,6-8,14-15H,2H2,(H,20,21)(H,11,13,16)(H2,17,18,19)/t3-,6-,7-,8-/m1/s1
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n/an/an/an/a 15n/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 1321N1 cells assessed as PLC-mediated [3H]IP production

J Med Chem 49: 5532-43 (2006)


Article DOI: 10.1021/jm060485n
BindingDB Entry DOI: 10.7270/Q2ZC83NW
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50403871
PNG
(URIDINE_DIPHOSPHATE)
Show SMILES O[C@@H]1[C@@H](CO[P@](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 15n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at P2Y6 receptor expressed in human 1321N1 cells assessed as inositol phosphate accumulation

Bioorg Med Chem 20: 5483-95 (2012)


Article DOI: 10.1016/j.bmc.2012.07.042
BindingDB Entry DOI: 10.7270/Q21837S1
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50306710
PNG
(((2R,3S,4R,5R)-3,4-dihydroxy-5-(5-iodo-2,4-dioxo-3...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)n1cc(I)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C9H13IN2O12P2/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(23-8)2-22-26(20,21)24-25(17,18)19/h1,4-6,8,13-14H,2H2,(H,20,21)(H,11,15,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1
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n/an/an/an/a 15n/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))		BDBM50496856
PNG
(CHEMBL3220047)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCc2cccc(I)c2)[nH]c1=O |r|
Show InChI InChI=1S/C16H20IN3O12P2/c17-10-3-1-2-9(6-10)7-29-19-12-4-5-20(16(23)18-12)15-14(22)13(21)11(31-15)8-30-34(27,28)32-33(24,25)26/h1-6,11,13-15,21-22H,7-8H2,(H,27,28)(H,18,19,23)(H2,24,25,26)/t11-,13-,14-,15-/m1/s1
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n/an/an/an/a 19n/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 using [3H]inositol as substrate assessed as [3H]inositol phosphat...

Medchemcomm 4: 1156-1165 (2013)


Article DOI: 10.1039/c3md00132f
BindingDB Entry DOI: 10.7270/Q20G3P36
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50013029
PNG
(CHEMBL3261378)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCc2ccc(OCC(=O)NCCc3cn(CCCNC(=O)CCCCCNC(=O)COc4ccc(\C=C\c5ccc6C=C7C=CC(c8cccs8)=[N+]7[B-](F)(F)n56)cc4)nn3)cc2)[nH]c1=O |r,c:73,81,t:71|
Show InChI InChI=1S/C56H67BF2N11O20P3S/c58-57(59)69-41(16-17-42(69)33-43-18-23-46(70(43)57)48-8-5-32-94-48)15-10-39-13-21-45(22-14-39)84-36-51(72)61-26-3-1-2-9-50(71)60-27-6-29-67-34-40(64-66-67)24-28-62-52(73)37-85-44-19-11-38(12-20-44)7-4-31-86-65-49-25-30-68(56(76)63-49)55-54(75)53(74)47(88-55)35-87-92(80,81)90-93(82,83)89-91(77,78)79/h5,8,10-23,25,30,32-34,47,53-55,74-75H,1-4,6-7,9,24,26-29,31,35-37H2,(H,60,71)(H,61,72)(H,62,73)(H,80,81)(H,82,83)(H,63,65,76)(H2,77,78,79)/b15-10+/t47-,53-,54-,55-/m1/s1
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n/an/an/an/a 23n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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

J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50496854
PNG
(CHEMBL1198872)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCc2ccccc2)[nH]c1=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 26n/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 using [3H]inositol as substrate assessed as [3H]inositol phosphat...

Medchemcomm 4: 1156-1165 (2013)


Article DOI: 10.1039/c3md00132f
BindingDB Entry DOI: 10.7270/Q20G3P36
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50421169
PNG
(CHEMBL2086770)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(S)=O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C9H14N2O11P2S/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(21-8)3-20-23(16,17)22-24(18,19)25/h1-2,4,6-8,13-14H,3H2,(H,16,17)(H,10,12,15)(H2,18,19,25)/t4-,6-,7-,8-/m1/s1
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n/an/an/an/a 28n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y6 receptor

Bioorg Med Chem 20: 5483-95 (2012)


Article DOI: 10.1016/j.bmc.2012.07.042
BindingDB Entry DOI: 10.7270/Q21837S1
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50496855
PNG
(CHEMBL3220048)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCc2ccc(Br)cc2)[nH]c1=O |r|
Show InChI InChI=1S/C16H20BrN3O12P2/c17-10-3-1-9(2-4-10)7-29-19-12-5-6-20(16(23)18-12)15-14(22)13(21)11(31-15)8-30-34(27,28)32-33(24,25)26/h1-6,11,13-15,21-22H,7-8H2,(H,27,28)(H,18,19,23)(H2,24,25,26)/t11-,13-,14-,15-/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 recombinant P2Y6 receptor expressed in human 1321N1 cells using [3H]inositol as substrate assessed as [3H]inositol phosphat...

Medchemcomm 4: 1156-1165 (2013)


Article DOI: 10.1039/c3md00132f
BindingDB Entry DOI: 10.7270/Q20G3P36
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50496857
PNG
(CHEMBL3220046)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCc2cccc(Br)c2)[nH]c1=O |r|
Show InChI InChI=1S/C16H20BrN3O12P2/c17-10-3-1-2-9(6-10)7-29-19-12-4-5-20(16(23)18-12)15-14(22)13(21)11(31-15)8-30-34(27,28)32-33(24,25)26/h1-6,11,13-15,21-22H,7-8H2,(H,27,28)(H,18,19,23)(H2,24,25,26)/t11-,13-,14-,15-/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 recombinant P2Y6 receptor expressed in human 1321N1 cells using [3H]inositol as substrate assessed as [3H]inositol phosphat...

Medchemcomm 4: 1156-1165 (2013)


Article DOI: 10.1039/c3md00132f
BindingDB Entry DOI: 10.7270/Q20G3P36
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50496858
PNG
(CHEMBL3220050)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCc2ccc(cc2)[N+]([O-])=O)[nH]c1=O |r|
Show InChI InChI=1S/C16H20N4O14P2/c21-13-11(8-32-36(29,30)34-35(26,27)28)33-15(14(13)22)19-6-5-12(17-16(19)23)18-31-7-9-1-3-10(4-2-9)20(24)25/h1-6,11,13-15,21-22H,7-8H2,(H,29,30)(H,17,18,23)(H2,26,27,28)/t11-,13-,14-,15-/m1/s1
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n/an/an/an/a 41n/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 using [3H]inositol as substrate assessed as [3H]inositol phosphat...

Medchemcomm 4: 1156-1165 (2013)


Article DOI: 10.1039/c3md00132f
BindingDB Entry DOI: 10.7270/Q20G3P36
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 42n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y6 receptor expressed in 1321N1 cells assessed as IP accumulation by SPA

J Med Chem 49: 7076-87 (2006)


Article DOI: 10.1021/jm060848j
BindingDB Entry DOI: 10.7270/Q2SN09RW
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
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 42n/an/an/an/a


TBA

Assay Description
Agonist activity at human P2Y6R expressed in 1321N1 cells assessed as calcium mobilization measured by microplate reader method

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128137
BindingDB Entry DOI: 10.7270/Q27P935K
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))		BDBM50306709
PNG
(CHEMBL602452 | O-{[(2R,3S,4R,5R)-5-(5-bromo-2,4-di...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(S)=O)n1cc(Br)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C9H13BrN2O11P2S/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(22-8)2-21-24(17,18)23-25(19,20)26/h1,4-6,8,13-14H,2H2,(H,17,18)(H,11,15,16)(H2,19,20,26)/t4-,5-,6-,8-/m1/s1
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n/an/an/an/a 47n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as calcium elevation by fura2/AM assay

J Med Chem 53: 1673-85 (2010)


Article DOI: 10.1021/jm901450d
BindingDB Entry DOI: 10.7270/Q2ZW1MWR
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50403871
PNG
(URIDINE_DIPHOSPHATE)
Show SMILES O[C@@H]1[C@@H](CO[P@](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 47n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y6 receptor

Bioorg Med Chem 20: 5483-95 (2012)


Article DOI: 10.1016/j.bmc.2012.07.042
BindingDB Entry DOI: 10.7270/Q21837S1
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 48n/an/an/an/a



University of Bonn

Curated by ChEMBL


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

J Med Chem 54: 2878-90 (2011)


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


(Homo sapiens (Human))		BDBM50306710
PNG
(((2R,3S,4R,5R)-3,4-dihydroxy-5-(5-iodo-2,4-dioxo-3...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)n1cc(I)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C9H13IN2O12P2/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(23-8)2-22-26(20,21)24-25(17,18)19/h1,4-6,8,13-14H,2H2,(H,20,21)(H,11,15,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1
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n/an/an/an/a 49n/an/an/an/a


TBA

Assay Description
Agonist activity at human P2Y6R expressed in 1321N1 cells assessed as calcium mobilization measured by microplate reader method

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128137
BindingDB Entry DOI: 10.7270/Q27P935K
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 49n/an/an/an/a


TBA

Assay Description
Agonist activity at human P2Y6R expressed in 1321N1 cells assessed as calcium mobilization measured by microplate reader method

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128137
BindingDB Entry DOI: 10.7270/Q27P935K
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50421165
PNG
(CHEMBL2086765)
Show SMILES B[P@@](=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(OC)c(=O)[nH]c1=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(OC)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C20H30BN4O21P3/c1-39-7-3-24(19(32)22-15(7)30)17-13(28)11(26)9(43-17)5-41-47(21,34)45-49(37,38)46-48(35,36)42-6-10-12(27)14(29)18(44-10)25-4-8(40-2)16(31)23-20(25)33/h3-4,9-14,17-18,26-29H,5-6,21H2,1-2H3,(H,35,36)(H,37,38)(H,22,30,32)(H,23,31,33)/t9-,10-,11-,12-,13-,14-,17-,18-,47-/m1/s1
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n/an/an/an/a 60n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at human GFP-tagged P2Y6 receptor expressed in human 1321N1 cells assessed as intracellular calcium mobilization by fura2/AM-based f...

Bioorg Med Chem 20: 5483-95 (2012)


Article DOI: 10.1016/j.bmc.2012.07.042
BindingDB Entry DOI: 10.7270/Q21837S1
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 60n/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 1321N1 cells assessed as PLC-mediated [3H]IP production

J Med Chem 49: 5532-43 (2006)


Article DOI: 10.1021/jm060485n
BindingDB Entry DOI: 10.7270/Q2ZC83NW
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(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 63n/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))		BDBM50199191
PNG
(((2R,3S,4R,5R)-5-(2,4-dioxo-3-(2-oxo-2-phenylethyl...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)n1ccc(=O)n(CC(=O)c2ccccc2)c1=O
Show InChI InChI=1S/C17H20N2O13P2/c20-11(10-4-2-1-3-5-10)8-19-13(21)6-7-18(17(19)24)16-15(23)14(22)12(31-16)9-30-34(28,29)32-33(25,26)27/h1-7,12,14-16,22-23H,8-9H2,(H,28,29)(H2,25,26,27)/t12-,14-,15-,16-/m1/s1
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n/an/an/an/a 70n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y6 receptor expressed in 1321N1 cells assessed as IP accumulation by SPA

J Med Chem 49: 7076-87 (2006)


Article DOI: 10.1021/jm060848j
BindingDB Entry DOI: 10.7270/Q2SN09RW
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50199191
PNG
(((2R,3S,4R,5R)-5-(2,4-dioxo-3-(2-oxo-2-phenylethyl...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)n1ccc(=O)n(CC(=O)c2ccccc2)c1=O
Show InChI InChI=1S/C17H20N2O13P2/c20-11(10-4-2-1-3-5-10)8-19-13(21)6-7-18(17(19)24)16-15(23)14(22)12(31-16)9-30-34(28,29)32-33(25,26)27/h1-7,12,14-16,22-23H,8-9H2,(H,28,29)(H2,25,26,27)/t12-,14-,15-,16-/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 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 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))		BDBM50306706
PNG
(((2R,3S,4R,5R)-3,4-dihydroxy-5-(5-methoxy-2,4-diox...)
Show SMILES COc1cn([C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H16N2O13P2/c1-22-4-2-12(10(16)11-8(4)15)9-7(14)6(13)5(24-9)3-23-27(20,21)25-26(17,18)19/h2,5-7,9,13-14H,3H2,1H3,(H,20,21)(H,11,15,16)(H2,17,18,19)/t5-,6-,7-,9-/m1/s1
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n/an/an/an/a 80n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as calcium elevation by fura2/AM assay

J Med Chem 53: 1673-85 (2010)


Article DOI: 10.1021/jm901450d
BindingDB Entry DOI: 10.7270/Q2ZW1MWR
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 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 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 1321N1 cells assessed as PLC-mediated [3H]IP production

J Med Chem 49: 5532-43 (2006)


Article DOI: 10.1021/jm060485n
BindingDB Entry DOI: 10.7270/Q2ZC83NW
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 86n/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Stimulation of phospholipase C in 1321N1 astrocytoma cells transfected with human P2Y6 receptor

J Med Chem 48: 8108-11 (2005)


Article DOI: 10.1021/jm050911p
BindingDB Entry DOI: 10.7270/Q28915FG
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50012975
PNG
(CHEMBL3261366)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCc2ccc(I)cc2)[nH]c1=O |r|
Show InChI InChI=1S/C18H25IN3O15P3/c19-12-5-3-11(4-6-12)2-1-9-33-21-14-7-8-22(18(25)20-14)17-16(24)15(23)13(35-17)10-34-39(29,30)37-40(31,32)36-38(26,27)28/h3-8,13,15-17,23-24H,1-2,9-10H2,(H,29,30)(H,31,32)(H,20,21,25)(H2,26,27,28)/t13-,15-,16-,17-/m1/s1
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n/an/an/an/a 90n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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

J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50013012
PNG
(CHEMBL3261374)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCc2ccc3ccccc3c2)[nH]c1=O |r|
Show InChI InChI=1S/C22H28N3O15P3/c26-19-17(13-37-42(32,33)40-43(34,35)39-41(29,30)31)38-21(20(19)27)25-10-9-18(23-22(25)28)24-36-11-3-4-14-7-8-15-5-1-2-6-16(15)12-14/h1-2,5-10,12,17,19-21,26-27H,3-4,11,13H2,(H,32,33)(H,34,35)(H,23,24,28)(H2,29,30,31)/t17-,19-,20-,21-/m1/s1
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n/an/an/an/a 90n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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

J Med Chem 57: 3874-83 (2014)


Article DOI: 10.1021/jm500367e
BindingDB Entry DOI: 10.7270/Q2V989M9
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50523545
PNG
(CHEMBL4538320)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)CP(O)(O)=O)n1cc(Cl)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H15ClN2O11P2/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 97n/an/an/an/a


TBA

Assay Description
Agonist activity at human P2Y6R expressed in 1321N1 cells assessed as calcium mobilization measured by microplate reader method

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128137
BindingDB Entry DOI: 10.7270/Q27P935K
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50523545
PNG
(CHEMBL4538320)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)CP(O)(O)=O)n1cc(Cl)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H15ClN2O11P2/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 97n/an/an/an/a


TBA

Assay Description
Agonist activity at human P2Y6R expressed in 1321N1 cells assessed as calcium mobilization measured by FLIPR method

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128137
BindingDB Entry DOI: 10.7270/Q27P935K
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50496862
PNG
(CHEMBL3220051)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCc2cccc(c2)C#CCCC#C)[nH]c1=O |r|
Show InChI InChI=1S/C22H25N3O12P2/c1-2-3-4-5-7-15-8-6-9-16(12-15)13-34-24-18-10-11-25(22(28)23-18)21-20(27)19(26)17(36-21)14-35-39(32,33)37-38(29,30)31/h1,6,8-12,17,19-21,26-27H,3-4,13-14H2,(H,32,33)(H,23,24,28)(H2,29,30,31)/t17-,19-,20-,21-/m1/s1
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n/an/an/an/a 100n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y6 receptor expressed in human 1321N1 cells using [3H]inositol as substrate assessed as [3H]inositol phosphat...

Medchemcomm 4: 1156-1165 (2013)


Article DOI: 10.1039/c3md00132f
BindingDB Entry DOI: 10.7270/Q20G3P36
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50403871
PNG
(URIDINE_DIPHOSPHATE)
Show SMILES O[C@@H]1[C@@H](CO[P@](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 100n/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity evaluated as change in the level of cytosolic calcium in 1321N astrocytoma cells infected with a retrovirus encoding the human P2Y6 ...

Bioorg Med Chem Lett 11: 157-60 (2001)


BindingDB Entry DOI: 10.7270/Q2BG2PH9
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50523532
PNG
(CHEMBL4457058)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)CP(O)(O)=O)n1cc(Br)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H15BrN2O11P2/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 104n/an/an/an/a


TBA

Assay Description
Agonist activity at human P2Y6R expressed in 1321N1 cells assessed as calcium mobilization measured by microplate reader method

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128137
BindingDB Entry DOI: 10.7270/Q27P935K
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50199186
PNG
(5-bromouridine-5'-uridylic acid (1,1-dichloro-1-ph...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)n1cc(Br)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H14BrCl2N2O14P3/c11-3-1-15(9(19)14-7(3)18)8-6(17)5(16)4(28-8)2-27-32(25,26)29-31(23,24)10(12,13)30(20,21)22/h1,4-6,8,16-17H,2H2,(H,23,24)(H,25,26)(H,14,18,19)(H2,20,21,22)/t4-,5-,6-,8-/m1/s1
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n/an/an/an/a 120n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y6 receptor expressed in 1321N1 cells assessed as IP accumulation by SPA

J Med Chem 49: 7076-87 (2006)


Article DOI: 10.1021/jm060848j
BindingDB Entry DOI: 10.7270/Q2SN09RW
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50496861
PNG
(CHEMBL3220054)
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)n2cc\c(=N\OCc3ccccc3)[nH]c2=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C25H32N5O20P3/c31-17-7-9-30(25(37)27-17)23-21(35)19(33)15(48-23)12-46-52(40,41)50-53(42,43)49-51(38,39)45-11-14-18(32)20(34)22(47-14)29-8-6-16(26-24(29)36)28-44-10-13-4-2-1-3-5-13/h1-9,14-15,18-23,32-35H,10-12H2,(H,38,39)(H,40,41)(H,42,43)(H,26,28,36)(H,27,31,37)/t14-,15-,18-,19-,20-,21-,22-,23-/m1/s1
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n/an/an/an/a 126n/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 using [3H]inositol as substrate assessed as [3H]inositol phosphat...

Medchemcomm 4: 1156-1165 (2013)


Article DOI: 10.1039/c3md00132f
BindingDB Entry DOI: 10.7270/Q20G3P36
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))		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))		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


TBA

Assay Description
Agonist activity at human P2Y6R expressed in 1321N1 cells measured after 30 mins by scintillation proximity assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128137
BindingDB Entry DOI: 10.7270/Q27P935K
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50496860
PNG
(CHEMBL1198849)
Show SMILES CO\N=c1/ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)[nH]1 |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 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 using [3H]inositol as substrate assessed as [3H]inositol phosphat...

Medchemcomm 4: 1156-1165 (2013)


Article DOI: 10.1039/c3md00132f
BindingDB Entry DOI: 10.7270/Q20G3P36
More data for this
Ligand-Target Pair
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