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PubMed code 26161252

Compile data set for download or QSAR
Found 43 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
P2Y purinoceptor 2


(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 1.70E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells 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 4


(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 1.15E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y4 receptor expressed in human 1321N1 cells 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))		BDBM50345484
PNG
(CHEMBL1784892 | N4-Benzyloxycytidine-5'-triphospha...)
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(NOCc2ccccc2)nc1=O |r|
Show InChI InChI=1S/C16H22N3O15P3/c20-13-11(9-31-36(26,27)34-37(28,29)33-35(23,24)25)32-15(14(13)21)19-7-6-12(17-16(19)22)18-30-8-10-4-2-1-3-5-10/h1-7,11,13-15,20-21H,8-9H2,(H,26,27)(H,28,29)(H,17,18,22)(H2,23,24,25)/t11-,13-,14-,15-/m1/s1
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n/an/an/an/a 230n/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 2


(Homo sapiens (Human))		BDBM50496866
PNG
(CHEMBL3220055)
Show SMILES CO\N=c1\ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)Oc3ccc4ccccc4c3)[C@@H](O)[C@H]2O)c(=O)[nH]1 |r|
Show InChI InChI=1S/C20H24N3O15P3/c1-33-22-16-8-9-23(20(26)21-16)19-18(25)17(24)15(35-19)11-34-39(27,28)37-41(31,32)38-40(29,30)36-14-7-6-12-4-2-3-5-13(12)10-14/h2-10,15,17-19,24-25H,11H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H,21,22,26)/t15-,17-,18-,19-/m1/s1
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n/an/an/an/a 2.90E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells 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 2


(Homo sapiens (Human))		BDBM50241299
PNG
(CHEMBL239151 | {[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C18H25N4O20P3/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(39-15)5-37-43(31,32)41-45(35,36)42-44(33,34)38-6-8-12(26)14(28)16(40-8)22-4-2-10(24)20-18(22)30/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H,33,34)(H,35,36)(H,19,23,29)(H,20,24,30)/t7-,8-,11-,12-,13-,14-,15-,16-/m1/s1
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n/an/an/an/a 1.31E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells 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 2


(Homo sapiens (Human))		BDBM50496864
PNG
(CHEMBL3220058)
Show SMILES CC(=O)NCCn1cc(CCOP(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)nn1 |r|
Show InChI InChI=1S/C24H34N7O16P3/c1-16(32)25-9-11-30-13-18(27-29-30)8-12-43-48(36,37)46-50(40,41)47-49(38,39)44-15-19-21(33)22(34)23(45-19)31-10-7-20(26-24(31)35)28-42-14-17-5-3-2-4-6-17/h2-7,10,13,19,21-23,33-34H,8-9,11-12,14-15H2,1H3,(H,25,32)(H,36,37)(H,38,39)(H,40,41)(H,26,28,35)/t19-,21-,22-,23-/m1/s1
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n/an/an/an/a 3.80E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells 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 4


(Homo sapiens (Human))		BDBM50241299
PNG
(CHEMBL239151 | {[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C18H25N4O20P3/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(39-15)5-37-43(31,32)41-45(35,36)42-44(33,34)38-6-8-12(26)14(28)16(40-8)22-4-2-10(24)20-18(22)30/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H,33,34)(H,35,36)(H,19,23,29)(H,20,24,30)/t7-,8-,11-,12-,13-,14-,15-,16-/m1/s1
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n/an/an/an/a 870n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y4 receptor expressed in human 1321N1 cells 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))		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))		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 4


(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 352n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y4 receptor expressed in human 1321N1 cells 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 4


(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 952n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y4 receptor expressed in human 1321N1 cells 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))		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
P2Y purinoceptor 2


(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 28n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells 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 2


(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 2.50E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells 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 2


(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 3.30E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 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 4


(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 25n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y4 receptor expressed in human 1321N1 cells 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))		BDBM50496867
PNG
(CHEMBL3220056)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OCCC#C)O[C@H]([C@@H]1O)n1cc\c(=N\OCc2ccccc2)[nH]c1=O |r|
Show InChI InChI=1S/C20H26N3O15P3/c1-2-3-11-34-39(27,28)37-41(31,32)38-40(29,30)35-13-15-17(24)18(25)19(36-15)23-10-9-16(21-20(23)26)22-33-12-14-7-5-4-6-8-14/h1,4-10,15,17-19,24-25H,3,11-13H2,(H,27,28)(H,29,30)(H,31,32)(H,21,22,26)/t15-,17-,18-,19-/m1/s1
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n/an/an/an/a 1.75E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y6 receptor expressed in human 1321N1 cells 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 2


(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 3.90E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells 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 2


(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 2.13E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells 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 2


(Homo sapiens (Human))		BDBM50345484
PNG
(CHEMBL1784892 | N4-Benzyloxycytidine-5'-triphospha...)
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(NOCc2ccccc2)nc1=O |r|
Show InChI InChI=1S/C16H22N3O15P3/c20-13-11(9-31-36(26,27)34-37(28,29)33-35(23,24)25)32-15(14(13)21)19-7-6-12(17-16(19)22)18-30-8-10-4-2-1-3-5-10/h1-7,11,13-15,20-21H,8-9H2,(H,26,27)(H,28,29)(H,17,18,22)(H2,23,24,25)/t11-,13-,14-,15-/m1/s1
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n/an/an/an/a 620n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells 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 4


(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 2.20E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y4 receptor expressed in human 1321N1 cells 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))		BDBM50241299
PNG
(CHEMBL239151 | {[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C18H25N4O20P3/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(39-15)5-37-43(31,32)41-45(35,36)42-44(33,34)38-6-8-12(26)14(28)16(40-8)22-4-2-10(24)20-18(22)30/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H,33,34)(H,35,36)(H,19,23,29)(H,20,24,30)/t7-,8-,11-,12-,13-,14-,15-,16-/m1/s1
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n/an/an/an/a 270n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y6 receptor expressed in human 1321N1 cells 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))		BDBM50496859
PNG
(CHEMBL3220049)
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(I)cc2)[nH]c1=O |r|
Show InChI InChI=1S/C16H20IN3O12P2/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 148n/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))		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))		BDBM50496864
PNG
(CHEMBL3220058)
Show SMILES CC(=O)NCCn1cc(CCOP(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)nn1 |r|
Show InChI InChI=1S/C24H34N7O16P3/c1-16(32)25-9-11-30-13-18(27-29-30)8-12-43-48(36,37)46-50(40,41)47-49(38,39)44-15-19-21(33)22(34)23(45-19)31-10-7-20(26-24(31)35)28-42-14-17-5-3-2-4-6-17/h2-7,10,13,19,21-23,33-34H,8-9,11-12,14-15H2,1H3,(H,25,32)(H,36,37)(H,38,39)(H,40,41)(H,26,28,35)/t19-,21-,22-,23-/m1/s1
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n/an/an/an/a 879n/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))		BDBM50496865
PNG
(CHEMBL3220057)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OCCCC#C)O[C@H]([C@@H]1O)n1cc\c(=N\OCc2ccccc2)[nH]c1=O |r|
Show InChI InChI=1S/C21H28N3O15P3/c1-2-3-7-12-35-40(28,29)38-42(32,33)39-41(30,31)36-14-16-18(25)19(26)20(37-16)24-11-10-17(22-21(24)27)23-34-13-15-8-5-4-6-9-15/h1,4-6,8-11,16,18-20,25-26H,3,7,12-14H2,(H,28,29)(H,30,31)(H,32,33)(H,22,23,27)/t16-,18-,19-,20-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y6 receptor expressed in human 1321N1 cells 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))		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 4


(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 636n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y4 receptor expressed in human 1321N1 cells 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 2


(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 2.50E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells 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))		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 2


(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 6.20E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells 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 4


(Homo sapiens (Human))		BDBM50345484
PNG
(CHEMBL1784892 | N4-Benzyloxycytidine-5'-triphospha...)
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(NOCc2ccccc2)nc1=O |r|
Show InChI InChI=1S/C16H22N3O15P3/c20-13-11(9-31-36(26,27)34-37(28,29)33-35(23,24)25)32-15(14(13)21)19-7-6-12(17-16(19)22)18-30-8-10-4-2-1-3-5-10/h1-7,11,13-15,20-21H,8-9H2,(H,26,27)(H,28,29)(H,17,18,22)(H2,23,24,25)/t11-,13-,14-,15-/m1/s1
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Article
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n/an/an/an/a 97n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y4 receptor expressed in human 1321N1 cells 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 4


(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>1.00E+4n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y4 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 2


(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 5.20E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells 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 4


(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 7.44E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y4 receptor expressed in human 1321N1 cells 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 4


(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 790n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y4 receptor expressed in human 1321N1 cells 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 4


(Homo sapiens (Human))		BDBM50496864
PNG
(CHEMBL3220058)
Show SMILES CC(=O)NCCn1cc(CCOP(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)nn1 |r|
Show InChI InChI=1S/C24H34N7O16P3/c1-16(32)25-9-11-30-13-18(27-29-30)8-12-43-48(36,37)46-50(40,41)47-49(38,39)44-15-19-21(33)22(34)23(45-19)31-10-7-20(26-24(31)35)28-42-14-17-5-3-2-4-6-17/h2-7,10,13,19,21-23,33-34H,8-9,11-12,14-15H2,1H3,(H,25,32)(H,36,37)(H,38,39)(H,40,41)(H,26,28,35)/t19-,21-,22-,23-/m1/s1
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n/an/an/an/a 3.30E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y4 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))		BDBM50496866
PNG
(CHEMBL3220055)
Show SMILES CO\N=c1\ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)Oc3ccc4ccccc4c3)[C@@H](O)[C@H]2O)c(=O)[nH]1 |r|
Show InChI InChI=1S/C20H24N3O15P3/c1-33-22-16-8-9-23(20(26)21-16)19-18(25)17(24)15(35-19)11-34-39(27,28)37-41(31,32)38-40(29,30)36-14-7-6-12-4-2-3-5-13(12)10-14/h2-10,15,17-19,24-25H,11H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H,21,22,26)/t15-,17-,18-,19-/m1/s1
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n/an/an/an/a 731n/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))		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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PubMed
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 2


(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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UniChem
Article
PubMed
n/an/an/an/a 170n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells 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
* indicates data uncertainty>20%