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Compile Data Set for Download or QSAR

Found 35 hits with Last Name = 'servos' and Initial = 'j'   
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))
BDBM50112757
PNG
(CHEMBL66627 | triPhosphoric acid -[4-(6-amino-2-ch...)
Show SMILES Nc1nc(Cl)nc2n(cnc12)C1[C@H]2C[C@@]2(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(O)C1O
Show InChI InChI=1S/C12H17ClN5O12P3/c13-11-16-9(14)5-10(17-11)18(3-15-5)6-4-1-12(4,8(20)7(6)19)2-28-32(24,25)30-33(26,27)29-31(21,22)23/h3-4,6-8,19-20H,1-2H2,(H,24,25)(H,26,27)(H2,14,16,17)(H2,21,22,23)/t4-,6?,7?,8?,12-/m1/s1
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n/an/an/an/a 1.90E+3n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Agonist activity by measuring inositol phosphate accumulation in 1321N1 human astrocytoma cells stably expressing human P2Y purinoceptor 2


J Med Chem 45: 2090-100 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50422385
PNG
(2-Chloro-Adenosinetriphosphate | CHEMBL1368696)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H15ClN5O13P3/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1
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n/an/an/an/a 770n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Accumulation of inositol phosphate in 1321N1 astrocytoma cells expressing human P2Y1 purinoceptor


J Med Chem 45: 2090-100 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50112761
PNG
(CHEMBL68067 | Phosphonomethyl-diphosphonic acid -[...)
Show SMILES Nc1ncnc2n(cnc12)C1[C@H]2C[C@@]2(COP(O)(=O)OP(O)(=O)CP(O)(O)=O)C(O)C1O
Show InChI InChI=1S/C13H20N5O11P3/c14-11-7-12(16-3-15-11)18(4-17-7)8-6-1-13(6,10(20)9(8)19)2-28-32(26,27)29-31(24,25)5-30(21,22)23/h3-4,6,8-10,19-20H,1-2,5H2,(H,24,25)(H,26,27)(H2,14,15,16)(H2,21,22,23)/t6-,8?,9?,10?,13-/m1/s1
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n/an/an/an/a 1.13E+4n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Activation of Purinoceptor P2Y1-mediated phospholipase C in turkey erythrocyte membranes


J Med Chem 45: 2090-100 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50112757
PNG
(CHEMBL66627 | triPhosphoric acid -[4-(6-amino-2-ch...)
Show SMILES Nc1nc(Cl)nc2n(cnc12)C1[C@H]2C[C@@]2(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(O)C1O
Show InChI InChI=1S/C12H17ClN5O12P3/c13-11-16-9(14)5-10(17-11)18(3-15-5)6-4-1-12(4,8(20)7(6)19)2-28-32(24,25)30-33(26,27)29-31(21,22)23/h3-4,6-8,19-20H,1-2H2,(H,24,25)(H,26,27)(H2,14,16,17)(H2,21,22,23)/t4-,6?,7?,8?,12-/m1/s1
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n/an/an/an/a 7n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Accumulation of inositol phosphate in 1321N1 astrocytoma cells expressing human P2Y1 purinoceptor


J Med Chem 45: 2090-100 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50370075
PNG
(CHEMBL610931)
Show SMILES CNc1ncnc2n(cnc12)C1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C11H18N5O13P3/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(18)7(17)5(27-11)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-5,7-8,11,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H,12,13,14)(H2,19,20,21)/t5-,7-,8-,11?/m1/s1
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n/an/an/an/a 1.90E+4n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Activation of Purinoceptor P2Y1-mediated phospholipase C in turkey erythrocyte membranes


J Med Chem 45: 2090-100 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50112763
PNG
(CHEMBL303596 | triPhosphoric acid -[4-(6-amino-2-m...)
Show SMILES CSc1nc(N)c2ncn(C3[C@H]4C[C@@]4(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(O)C3O)c2n1
Show InChI InChI=1S/C13H20N5O12P3S/c1-34-12-16-10(14)6-11(17-12)18(4-15-6)7-5-2-13(5,9(20)8(7)19)3-28-32(24,25)30-33(26,27)29-31(21,22)23/h4-5,7-9,19-20H,2-3H2,1H3,(H,24,25)(H,26,27)(H2,14,16,17)(H2,21,22,23)/t5-,7?,8?,9?,13-/m1/s1
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n/an/an/an/a 23n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Accumulation of inositol phosphate in 1321N1 astrocytoma cells expressing human P2Y1 purinoceptor


J Med Chem 45: 2090-100 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50366480
PNG
(ADENOSINE TRIPHOSPHATE | ATP)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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n/an/an/an/a 85n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Agonist activity by measuring inositol phosphate accumulation in 1321N1 human astrocytoma cells stably expressing human P2Y purinoceptor 2


J Med Chem 45: 2090-100 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50112763
PNG
(CHEMBL303596 | triPhosphoric acid -[4-(6-amino-2-m...)
Show SMILES CSc1nc(N)c2ncn(C3[C@H]4C[C@@]4(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(O)C3O)c2n1
Show InChI InChI=1S/C13H20N5O12P3S/c1-34-12-16-10(14)6-11(17-12)18(4-15-6)7-5-2-13(5,9(20)8(7)19)3-28-32(24,25)30-33(26,27)29-31(21,22)23/h4-5,7-9,19-20H,2-3H2,1H3,(H,24,25)(H,26,27)(H2,14,16,17)(H2,21,22,23)/t5-,7?,8?,9?,13-/m1/s1
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n/an/an/an/a 3.70n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Activation of Purinoceptor P2Y1-mediated phospholipase C in turkey erythrocyte membranes


J Med Chem 45: 2090-100 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50112761
PNG
(CHEMBL68067 | Phosphonomethyl-diphosphonic acid -[...)
Show SMILES Nc1ncnc2n(cnc12)C1[C@H]2C[C@@]2(COP(O)(=O)OP(O)(=O)CP(O)(O)=O)C(O)C1O
Show InChI InChI=1S/C13H20N5O11P3/c14-11-7-12(16-3-15-11)18(4-17-7)8-6-1-13(6,10(20)9(8)19)2-28-32(26,27)29-31(24,25)5-30(21,22)23/h3-4,6,8-10,19-20H,1-2,5H2,(H,24,25)(H,26,27)(H2,14,15,16)(H2,21,22,23)/t6-,8?,9?,10?,13-/m1/s1
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n/an/an/an/a 158n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Accumulation of inositol phosphate in 1321N1 astrocytoma cells expressing human P2Y1 purinoceptor


J Med Chem 45: 2090-100 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50112765
PNG
(CHEMBL302077 | triPhosphoric acid-[4-(6-amino-puri...)
Show SMILES Nc1ncnc2n(cnc12)C1C2CC2(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(O)C1O
Show InChI InChI=1S/C12H18N5O12P3/c13-10-6-11(15-3-14-10)17(4-16-6)7-5-1-12(5,9(19)8(7)18)2-27-31(23,24)29-32(25,26)28-30(20,21)22/h3-5,7-9,18-19H,1-2H2,(H,23,24)(H,25,26)(H2,13,14,15)(H2,20,21,22)
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n/an/an/an/a 91n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Agonist activity by measuring inositol phosphate accumulation in 1321N1 human astrocytoma cells stably expressing human P2Y purinoceptor 2


J Med Chem 45: 2090-100 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50112757
PNG
(CHEMBL66627 | triPhosphoric acid -[4-(6-amino-2-ch...)
Show SMILES Nc1nc(Cl)nc2n(cnc12)C1[C@H]2C[C@@]2(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(O)C1O
Show InChI InChI=1S/C12H17ClN5O12P3/c13-11-16-9(14)5-10(17-11)18(3-15-5)6-4-1-12(4,8(20)7(6)19)2-28-32(24,25)30-33(26,27)29-31(21,22)23/h3-4,6-8,19-20H,1-2H2,(H,24,25)(H,26,27)(H2,14,16,17)(H2,21,22,23)/t4-,6?,7?,8?,12-/m1/s1
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n/an/an/an/a 3n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Activation of Purinoceptor P2Y1-mediated phospholipase C in turkey erythrocyte membranes


J Med Chem 45: 2090-100 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50112758
PNG
(CHEMBL67739 | triPhosphoric acid -[2,3-dihydroxy-4...)
Show SMILES CNc1ncnc2n(cnc12)C1[C@H]2C[C@@]2(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(O)C1O
Show InChI InChI=1S/C13H20N5O12P3/c1-14-11-7-12(16-4-15-11)18(5-17-7)8-6-2-13(6,10(20)9(8)19)3-28-32(24,25)30-33(26,27)29-31(21,22)23/h4-6,8-10,19-20H,2-3H2,1H3,(H,24,25)(H,26,27)(H,14,15,16)(H2,21,22,23)/t6-,8?,9?,10?,13-/m1/s1
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n/an/an/an/a 33n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Accumulation of inositol phosphate in 1321N1 astrocytoma cells expressing human P2Y1 purinoceptor


J Med Chem 45: 2090-100 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50366480
PNG
(ADENOSINE TRIPHOSPHATE | ATP)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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n/an/an/an/a 1.50E+3n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Accumulation of inositol phosphate in 1321N1 astrocytoma cells expressing human P2Y1 purinoceptor


J Med Chem 45: 2090-100 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50112767
PNG
(CHEMBL291608 | triPhosphoric acid -[2,3-dihydroxy-...)
Show SMILES CNc1nc(Cl)nc2n(cnc12)C1[C@H]2C[C@@]2(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(O)C1O
Show InChI InChI=1S/C13H19ClN5O12P3/c1-15-10-6-11(18-12(14)17-10)19(4-16-6)7-5-2-13(5,9(21)8(7)20)3-29-33(25,26)31-34(27,28)30-32(22,23)24/h4-5,7-9,20-21H,2-3H2,1H3,(H,25,26)(H,27,28)(H,15,17,18)(H2,22,23,24)/t5-,7?,8?,9?,13-/m1/s1
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n/an/an/an/a 6n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Activation of Purinoceptor P2Y1-mediated phospholipase C in turkey erythrocyte membranes


J Med Chem 45: 2090-100 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50366480
PNG
(ADENOSINE TRIPHOSPHATE | ATP)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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n/an/an/an/a 2.80E+3n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Activation of Purinoceptor P2Y1-mediated phospholipase C in turkey erythrocyte membranes


J Med Chem 45: 2090-100 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50112765
PNG
(CHEMBL302077 | triPhosphoric acid-[4-(6-amino-puri...)
Show SMILES Nc1ncnc2n(cnc12)C1C2CC2(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(O)C1O
Show InChI InChI=1S/C12H18N5O12P3/c13-10-6-11(15-3-14-10)17(4-16-6)7-5-1-12(5,9(19)8(7)18)2-27-31(23,24)29-32(25,26)28-30(20,21)22/h3-5,7-9,18-19H,1-2H2,(H,23,24)(H,25,26)(H2,13,14,15)(H2,20,21,22)
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n/an/an/an/a 14n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Activation of Purinoceptor P2Y1-mediated phospholipase C in turkey erythrocyte membranes


J Med Chem 45: 2090-100 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50112765
PNG
(CHEMBL302077 | triPhosphoric acid-[4-(6-amino-puri...)
Show SMILES Nc1ncnc2n(cnc12)C1C2CC2(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(O)C1O
Show InChI InChI=1S/C12H18N5O12P3/c13-10-6-11(15-3-14-10)17(4-16-6)7-5-1-12(5,9(19)8(7)18)2-27-31(23,24)29-32(25,26)28-30(20,21)22/h3-5,7-9,18-19H,1-2H2,(H,23,24)(H,25,26)(H2,13,14,15)(H2,20,21,22)
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n/an/an/an/a 52n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Accumulation of inositol phosphate in 1321N1 astrocytoma cells expressing human P2Y1 purinoceptor


J Med Chem 45: 2090-100 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50112767
PNG
(CHEMBL291608 | triPhosphoric acid -[2,3-dihydroxy-...)
Show SMILES CNc1nc(Cl)nc2n(cnc12)C1[C@H]2C[C@@]2(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(O)C1O
Show InChI InChI=1S/C13H19ClN5O12P3/c1-15-10-6-11(18-12(14)17-10)19(4-16-6)7-5-2-13(5,9(21)8(7)20)3-29-33(25,26)31-34(27,28)30-32(22,23)24/h4-5,7-9,20-21H,2-3H2,1H3,(H,25,26)(H,27,28)(H,15,17,18)(H2,22,23,24)/t5-,7?,8?,9?,13-/m1/s1
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n/an/an/an/a 8.40E+3n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Agonist activity by measuring inositol phosphate accumulation in 1321N1 human astrocytoma cells stably expressing human P2Y purinoceptor 2


J Med Chem 45: 2090-100 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50112758
PNG
(CHEMBL67739 | triPhosphoric acid -[2,3-dihydroxy-4...)
Show SMILES CNc1ncnc2n(cnc12)C1[C@H]2C[C@@]2(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(O)C1O
Show InChI InChI=1S/C13H20N5O12P3/c1-14-11-7-12(16-4-15-11)18(5-17-7)8-6-2-13(6,10(20)9(8)19)3-28-32(24,25)30-33(26,27)29-31(21,22)23/h4-6,8-10,19-20H,2-3H2,1H3,(H,24,25)(H,26,27)(H,14,15,16)(H2,21,22,23)/t6-,8?,9?,10?,13-/m1/s1
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n/an/an/an/a 92n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Activation of Purinoceptor P2Y1-mediated phospholipase C in turkey erythrocyte membranes


J Med Chem 45: 2090-100 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
P2Y purinoceptor 11


(Homo sapiens (Human))
BDBM50366480
PNG
(ADENOSINE TRIPHOSPHATE | ATP)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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n/an/an/an/a 1.73E+4n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Agonist activity by measuring inositol phosphate accumulation in 1321N1 human astrocytoma cells stably expressing human P2Y purinoceptor 11


J Med Chem 45: 2090-100 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50112767
PNG
(CHEMBL291608 | triPhosphoric acid -[2,3-dihydroxy-...)
Show SMILES CNc1nc(Cl)nc2n(cnc12)C1[C@H]2C[C@@]2(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(O)C1O
Show InChI InChI=1S/C13H19ClN5O12P3/c1-15-10-6-11(18-12(14)17-10)19(4-16-6)7-5-2-13(5,9(21)8(7)20)3-29-33(25,26)31-34(27,28)30-32(22,23)24/h4-5,7-9,20-21H,2-3H2,1H3,(H,25,26)(H,27,28)(H,15,17,18)(H2,22,23,24)/t5-,7?,8?,9?,13-/m1/s1
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n/an/an/an/a 9n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Accumulation of inositol phosphate in 1321N1 astrocytoma cells expressing human P2Y1 purinoceptor


J Med Chem 45: 2090-100 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50409523
PNG
(CHEMBL2112093)
Show SMILES CSc1nc(N)c2ncn([C@@H]3[C@H]4C[C@@]4(COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C13H19N5O9P2S/c1-30-12-16-10(14)6-11(17-12)18(4-15-6)7-5-2-13(5,9(20)8(7)19)3-26-29(24,25)27-28(21,22)23/h4-5,7-9,19-20H,2-3H2,1H3,(H,24,25)(H2,14,16,17)(H2,21,22,23)/t5-,7-,8+,9+,13-/m1/s1
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n/an/an/an/a 0.880n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Activation of Purinoceptor P2Y1-mediated phospholipase C in turkey erythrocyte membranes


J Med Chem 45: 2090-100 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50409524
PNG
(CHEMBL2112091)
Show SMILES CS(=O)c1nc(N)c2ncn([C@@H]3[C@H]4C[C@@]4(COP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C13H18N5O7PS/c1-27(24)12-16-10(14)6-11(17-12)18(4-15-6)7-5-2-13(5,9(20)8(7)19)3-25-26(21,22)23/h4-5,7-9,19-20H,2-3H2,1H3,(H2,14,16,17)(H2,21,22,23)/t5-,7-,8+,9+,13-,27?/m1/s1
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n/an/an/an/a 36.6n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Activation of Purinoceptor P2Y1-mediated phospholipase C in turkey erythrocyte membranes


J Med Chem 45: 2090-100 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50409523
PNG
(CHEMBL2112093)
Show SMILES CSc1nc(N)c2ncn([C@@H]3[C@H]4C[C@@]4(COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C13H19N5O9P2S/c1-30-12-16-10(14)6-11(17-12)18(4-15-6)7-5-2-13(5,9(20)8(7)19)3-26-29(24,25)27-28(21,22)23/h4-5,7-9,19-20H,2-3H2,1H3,(H,24,25)(H2,14,16,17)(H2,21,22,23)/t5-,7-,8+,9+,13-/m1/s1
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n/an/an/an/a 0.400n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Accumulation of inositol phosphate in 1321N1 astrocytoma cells expressing human P2Y1 purinoceptor


J Med Chem 45: 2090-100 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50409525
PNG
(CHEMBL2112090)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@@]2(COP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C12H15ClN5O6P/c13-11-16-9(14)5-10(17-11)18(3-15-5)6-4-1-12(4,8(20)7(6)19)2-24-25(21,22)23/h3-4,6-8,19-20H,1-2H2,(H2,14,16,17)(H2,21,22,23)/t4-,6-,7+,8+,12-/m1/s1
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n/an/an/an/a 1.89E+3n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Accumulation of inositol phosphate in 1321N1 astrocytoma cells expressing human P2Y1 purinoceptor


J Med Chem 45: 2090-100 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50409525
PNG
(CHEMBL2112090)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@@]2(COP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C12H15ClN5O6P/c13-11-16-9(14)5-10(17-11)18(3-15-5)6-4-1-12(4,8(20)7(6)19)2-24-25(21,22)23/h3-4,6-8,19-20H,1-2H2,(H2,14,16,17)(H2,21,22,23)/t4-,6-,7+,8+,12-/m1/s1
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n/an/an/an/a 3.90E+3n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Activation of Purinoceptor P2Y1-mediated phospholipase C in turkey erythrocyte membranes


J Med Chem 45: 2090-100 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50409526
PNG
(CHEMBL2112092)
Show SMILES CSc1nc(N)c2ncn([C@@H]3[C@H]4C[C@]4(COP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C13H18N5O6PS/c1-26-12-16-10(14)6-11(17-12)18(4-15-6)7-5-2-13(5,9(20)8(7)19)3-24-25(21,22)23/h4-5,7-9,19-20H,2-3H2,1H3,(H2,14,16,17)(H2,21,22,23)/t5-,7-,8+,9+,13-/m1/s1
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n/an/an/an/a 1.19E+3n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Activation of Purinoceptor P2Y1-mediated phospholipase C in turkey erythrocyte membranes


J Med Chem 45: 2090-100 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50409526
PNG
(CHEMBL2112092)
Show SMILES CSc1nc(N)c2ncn([C@@H]3[C@H]4C[C@]4(COP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C13H18N5O6PS/c1-26-12-16-10(14)6-11(17-12)18(4-15-6)7-5-2-13(5,9(20)8(7)19)3-24-25(21,22)23/h4-5,7-9,19-20H,2-3H2,1H3,(H2,14,16,17)(H2,21,22,23)/t5-,7-,8+,9+,13-/m1/s1
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n/an/an/an/a 590n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Accumulation of inositol phosphate in 1321N1 astrocytoma cells expressing human P2Y1 purinoceptor


J Med Chem 45: 2090-100 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50422385
PNG
(2-Chloro-Adenosinetriphosphate | CHEMBL1368696)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H15ClN5O13P3/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1
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n/an/an/an/a 2.30E+3n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Agonist activity by measuring inositol phosphate accumulation in 1321N1 human astrocytoma cells stably expressing human P2Y purinoceptor 2


J Med Chem 45: 2090-100 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50118242
PNG
(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Show SMILES CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1 |r|
Show InChI InChI=1S/C11H17N5O10P2S/c1-29-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(25-10)2-24-28(22,23)26-27(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1
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n/an/an/an/a 6n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Activation of Purinoceptor P2Y1-mediated phospholipase C in turkey erythrocyte membranes


J Med Chem 45: 2090-100 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50118232
PNG
(2-MeSATP | ATP, 2-meS | CHEMBL336208)
Show SMILES CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C11H18N5O13P3S/c1-33-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(27-10)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1
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n/an/an/an/a 8n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Activation of Purinoceptor P2Y1-mediated phospholipase C in turkey erythrocyte membranes


J Med Chem 45: 2090-100 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50118242
PNG
(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Show SMILES CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1 |r|
Show InChI InChI=1S/C11H17N5O10P2S/c1-29-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(25-10)2-24-28(22,23)26-27(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1
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n/an/an/an/a 6.40n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Accumulation of inositol phosphate in 1321N1 astrocytoma cells expressing human P2Y1 purinoceptor


J Med Chem 45: 2090-100 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50118232
PNG
(2-MeSATP | ATP, 2-meS | CHEMBL336208)
Show SMILES CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C11H18N5O13P3S/c1-33-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(27-10)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1
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n/an/an/an/a 34n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Accumulation of inositol phosphate in 1321N1 astrocytoma cells expressing human P2Y1 purinoceptor


J Med Chem 45: 2090-100 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50422385
PNG
(2-Chloro-Adenosinetriphosphate | CHEMBL1368696)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H15ClN5O13P3/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1
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n/an/an/an/a 720n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Activation of Purinoceptor P2Y1-mediated phospholipase C in turkey erythrocyte membranes


J Med Chem 45: 2090-100 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50112758
PNG
(CHEMBL67739 | triPhosphoric acid -[2,3-dihydroxy-4...)
Show SMILES CNc1ncnc2n(cnc12)C1[C@H]2C[C@@]2(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(O)C1O
Show InChI InChI=1S/C13H20N5O12P3/c1-14-11-7-12(16-4-15-11)18(5-17-7)8-6-2-13(6,10(20)9(8)19)3-28-32(24,25)30-33(26,27)29-31(21,22)23/h4-6,8-10,19-20H,2-3H2,1H3,(H,24,25)(H,26,27)(H,14,15,16)(H2,21,22,23)/t6-,8?,9?,10?,13-/m1/s1
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n/an/an/an/a 197n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Agonist activity by measuring inositol phosphate accumulation in 1321N1 human astrocytoma cells stably expressing human P2Y purinoceptor 2


J Med Chem 45: 2090-100 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GZB
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