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Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for entry = 50036907   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50118238
PNG
(CHEMBL339873 | MRS 2279)
Show SMILES CNc1nc(Cl)nc2n(cnc12)[C@H]1CC(OP(O)(O)=O)C2(COP(O)(O)=O)CC12
Show InChI InChI=1S/C13H18ClN5O8P2/c1-15-10-9-11(18-12(14)17-10)19(5-16-9)7-2-8(27-29(23,24)25)13(3-6(7)13)4-26-28(20,21)22/h5-8H,2-4H2,1H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t6?,7-,8?,13?/m0/s1
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n/an/a 51.6n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Inhibition of 30 nM 2-MeSADP stimulation of 2PY1-mediated phospholipase C (PLC) activity in Turkey erythocyte ghosts


J Med Chem 43: 829-42 (2000)


BindingDB Entry DOI: 10.7270/Q2474BJ3
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50085314
PNG
(CHEMBL350828 | Phosphoric acid mono-[4-(6-methylam...)
Show SMILES CNc1ncnc2n(cnc12)[C@@H]1C[C@H](COP(O)(O)=O)[C@@H](C1)OP(O)(O)=O
Show InChI InChI=1S/C12H19N5O8P2/c1-13-11-10-12(15-5-14-11)17(6-16-10)8-2-7(4-24-26(18,19)20)9(3-8)25-27(21,22)23/h5-9H,2-4H2,1H3,(H,13,14,15)(H2,18,19,20)(H2,21,22,23)/t7-,8-,9-/m1/s1
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n/an/a 148n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Inhibition of 30 nM 2-MeSADP stimulation of 2PY1-mediated phospholipase C (PLC) activity in Turkey erythocyte ghosts


J Med Chem 43: 829-42 (2000)


BindingDB Entry DOI: 10.7270/Q2474BJ3
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50085821
PNG
(CHEMBL168427 | Phosphoric acid mono-[4-(6-methylam...)
Show SMILES CNc1ncnc2n(cnc12)C1CC(OP(O)(O)=O)C2(COP(O)(O)=O)CC12
Show InChI InChI=1S/C13H19N5O8P2/c1-14-11-10-12(16-5-15-11)18(6-17-10)8-2-9(26-28(22,23)24)13(3-7(8)13)4-25-27(19,20)21/h5-9H,2-4H2,1H3,(H,14,15,16)(H2,19,20,21)(H2,22,23,24)
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n/an/a 157n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Inhibition of 30 nM 2-MeSADP stimulation of 2PY1-mediated phospholipase C (PLC) activity in Turkey erythocyte ghosts


J Med Chem 43: 829-42 (2000)


BindingDB Entry DOI: 10.7270/Q2474BJ3
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50085322
PNG
(CHEMBL164811 | Phosphoric acid mono-[5-(2-chloro-6...)
Show SMILES CNc1nc(Cl)nc2n(cnc12)[C@H]1C[C@@H](OP(O)(O)=O)[C@@H](COP(O)(O)=O)O1
Show InChI InChI=1S/C11H16ClN5O9P2/c1-13-9-8-10(16-11(12)15-9)17(4-14-8)7-2-5(26-28(21,22)23)6(25-7)3-24-27(18,19)20/h4-7H,2-3H2,1H3,(H,13,15,16)(H2,18,19,20)(H2,21,22,23)/t5-,6-,7-/m1/s1
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n/an/a 206n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Inhibition of 30 nM 2-MeSADP stimulation of 2PY1-mediated phospholipase C (PLC) activity in Turkey erythocyte ghosts


J Med Chem 43: 829-42 (2000)


BindingDB Entry DOI: 10.7270/Q2474BJ3
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50118229
PNG
(CHEMBL129841 | MRS 2179)
Show SMILES CNc1ncnc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@@H](COP(O)(O)=O)O1
Show InChI InChI=1S/C11H17N5O9P2/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(25-27(20,21)22)7(24-8)3-23-26(17,18)19/h4-8H,2-3H2,1H3,(H,12,13,14)(H2,17,18,19)(H2,20,21,22)/t6-,7+,8+/m0/s1
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n/an/a 331n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Inhibition of 30 nM 2-MeSADP stimulation of 2PY1-mediated phospholipase C (PLC) activity in Turkey erythocyte ghosts


J Med Chem 43: 829-42 (2000)


BindingDB Entry DOI: 10.7270/Q2474BJ3
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50085826
PNG
(CHEMBL167061 | Phosphoric acid mono-[5-(6-methylam...)
Show SMILES CNc1nc(SC)nc2n(cnc12)[C@H]1C[C@@H](OP(O)(O)=O)[C@@H](COP(O)(O)=O)O1
Show InChI InChI=1S/C12H19N5O9P2S/c1-13-10-9-11(16-12(15-10)29-2)17(5-14-9)8-3-6(26-28(21,22)23)7(25-8)4-24-27(18,19)20/h5-8H,3-4H2,1-2H3,(H,13,15,16)(H2,18,19,20)(H2,21,22,23)/t6-,7-,8-/m1/s1
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n/an/a 362n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Inhibition of 30 nM 2-MeSADP stimulation of 2PY1-mediated phospholipase C (PLC) activity in Turkey erythocyte ghosts


J Med Chem 43: 829-42 (2000)


BindingDB Entry DOI: 10.7270/Q2474BJ3
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50085817
PNG
(CHEMBL352881 | Phosphoric acid mono-[5-(2-chloro-6...)
Show SMILES CNc1nc(Cl)nc2n(cnc12)C1COC(COP(O)(O)=O)C(C1)OP(O)(O)=O
Show InChI InChI=1S/C12H18ClN5O9P2/c1-14-10-9-11(17-12(13)16-10)18(5-15-9)6-2-7(27-29(22,23)24)8(25-3-6)4-26-28(19,20)21/h5-8H,2-4H2,1H3,(H,14,16,17)(H2,19,20,21)(H2,22,23,24)
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n/an/a 566n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Inhibition of 30 nM 2-MeSADP stimulation of 2PY1-mediated phospholipase C (PLC) activity in Turkey erythocyte ghosts


J Med Chem 43: 829-42 (2000)


BindingDB Entry DOI: 10.7270/Q2474BJ3
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50085824
PNG
(CHEMBL352744 | Phosphoric acid mono-[3-(2-chloro-6...)
Show SMILES CNc1nc(Cl)nc2n(cnc12)[C@@H]1C[C@H](OP(O)(O)=O)C1COP(O)(O)=O
Show InChI InChI=1S/C11H16ClN5O8P2/c1-13-9-8-10(16-11(12)15-9)17(4-14-8)6-2-7(25-27(21,22)23)5(6)3-24-26(18,19)20/h4-7H,2-3H2,1H3,(H,13,15,16)(H2,18,19,20)(H2,21,22,23)/t5?,6-,7+/m1/s1
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n/an/a 805n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Inhibition of 30 nM 2-MeSADP stimulation of 2PY1-mediated phospholipase C (PLC) activity in Turkey erythocyte ghosts


J Med Chem 43: 829-42 (2000)


BindingDB Entry DOI: 10.7270/Q2474BJ3
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50085823
PNG
(CHEMBL167191 | Phosphoric acid mono-[5-(6-methylam...)
Show SMILES CNc1ncnc2n(cnc12)C1COC(COP(O)(O)=O)C(C1)OP(O)(O)=O
Show InChI InChI=1S/C12H19N5O9P2/c1-13-11-10-12(15-5-14-11)17(6-16-10)7-2-8(26-28(21,22)23)9(24-3-7)4-25-27(18,19)20/h5-9H,2-4H2,1H3,(H,13,14,15)(H2,18,19,20)(H2,21,22,23)
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n/an/a 1.64E+3n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Inhibition of 30 nM 2-MeSADP stimulation of 2PY1-mediated phospholipase C (PLC) activity in Turkey erythocyte ghosts


J Med Chem 43: 829-42 (2000)


BindingDB Entry DOI: 10.7270/Q2474BJ3
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50085828
PNG
(CHEMBL353089 | Phosphoric acid mono-[5-(2-amino-6-...)
Show SMILES CNc1nc(N)nc2n(cnc12)[C@H]1C[C@@H](OP(O)(O)=O)[C@@H](COP(O)(O)=O)O1
Show InChI InChI=1S/C11H18N6O9P2/c1-13-9-8-10(16-11(12)15-9)17(4-14-8)7-2-5(26-28(21,22)23)6(25-7)3-24-27(18,19)20/h4-7H,2-3H2,1H3,(H2,18,19,20)(H2,21,22,23)(H3,12,13,15,16)/t5-,6-,7-/m1/s1
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n/an/a 1.85E+3n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Inhibition of 30 nM 2-MeSADP stimulation of 2PY1-mediated phospholipase C (PLC) activity in Turkey erythocyte ghosts


J Med Chem 43: 829-42 (2000)


BindingDB Entry DOI: 10.7270/Q2474BJ3
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50085818
PNG
(CHEMBL166163 | N6-Methyl-1,5-anhydro-2-(adenin-9-y...)
Show SMILES CNc1ncnc2n(cnc12)C1COC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(O)C1
Show InChI InChI=1S/C12H20N5O12P3/c1-13-11-10-12(15-5-14-11)17(6-16-10)7-2-8(18)9(26-3-7)4-27-31(22,23)29-32(24,25)28-30(19,20)21/h5-9,18H,2-4H2,1H3,(H,22,23)(H,24,25)(H,13,14,15)(H2,19,20,21)
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n/an/a 2.37E+3n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Inhibition of 30 nM 2-MeSADP stimulation of 2PY1-mediated phospholipase C (PLC) activity in Turkey erythocyte ghosts


J Med Chem 43: 829-42 (2000)


BindingDB Entry DOI: 10.7270/Q2474BJ3
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50085313
PNG
(CHEMBL165225 | Phosphoric acid mono-[4-(6-amino-pu...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@H](COP(O)(O)=O)[C@@H](C1)OP(O)(O)=O
Show InChI InChI=1S/C11H17N5O8P2/c12-10-9-11(14-4-13-10)16(5-15-9)7-1-6(3-23-25(17,18)19)8(2-7)24-26(20,21)22/h4-8H,1-3H2,(H2,12,13,14)(H2,17,18,19)(H2,20,21,22)/t6-,7-,8-/m1/s1
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n/an/a 2.53E+3n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Inhibition of 30 nM 2-MeSADP stimulation of 2PY1-mediated phospholipase C (PLC) activity in Turkey erythocyte ghosts


J Med Chem 43: 829-42 (2000)


BindingDB Entry DOI: 10.7270/Q2474BJ3
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50085829
PNG
(CHEMBL355406 | Phosphoric acid mono-[4-(2-amino-6-...)
Show SMILES CNc1nc(N)nc2n(cnc12)[C@@H]1C[C@H](COP(O)(O)=O)[C@@H](C1)OP(O)(O)=O
Show InChI InChI=1S/C12H20N6O8P2/c1-14-10-9-11(17-12(13)16-10)18(5-15-9)7-2-6(4-25-27(19,20)21)8(3-7)26-28(22,23)24/h5-8H,2-4H2,1H3,(H2,19,20,21)(H2,22,23,24)(H3,13,14,16,17)/t6-,7-,8-/m1/s1
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n/an/a 5.42E+3n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Inhibition of 30 nM 2-MeSADP stimulation of 2PY1-mediated phospholipase C (PLC) activity in Turkey erythocyte ghosts


J Med Chem 43: 829-42 (2000)


BindingDB Entry DOI: 10.7270/Q2474BJ3
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50085822
PNG
(CHEMBL444868 | Phosphoric acid mono-[1-(6-amino-pu...)
Show SMILES Nc1ncnc2n(cnc12)C12CC1C(COP(O)(O)=O)C(C2)OP(O)(O)=O
Show InChI InChI=1S/C12H17N5O8P2/c13-10-9-11(15-4-14-10)17(5-16-9)12-1-7(12)6(3-24-26(18,19)20)8(2-12)25-27(21,22)23/h4-8H,1-3H2,(H2,13,14,15)(H2,18,19,20)(H2,21,22,23)
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n/an/a 4.00E+4n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Inhibition of 30 nM 2-MeSADP stimulation of 2PY1-mediated phospholipase C (PLC) activity in Turkey erythocyte ghosts


J Med Chem 43: 829-42 (2000)


BindingDB Entry DOI: 10.7270/Q2474BJ3
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50085818
PNG
(CHEMBL166163 | N6-Methyl-1,5-anhydro-2-(adenin-9-y...)
Show SMILES CNc1ncnc2n(cnc12)C1COC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(O)C1
Show InChI InChI=1S/C12H20N5O12P3/c1-13-11-10-12(15-5-14-11)17(6-16-10)7-2-8(18)9(26-3-7)4-27-31(22,23)29-32(24,25)28-30(19,20)21/h5-9,18H,2-4H2,1H3,(H,22,23)(H,24,25)(H,13,14,15)(H2,19,20,21)
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n/an/an/an/a 9.35E+3n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
In vitro stimulation of 2PY1 purinoceptor mediated phospholipase C (PLC) activity in Turkey Erythrocyte Ghosts


J Med Chem 43: 829-42 (2000)


BindingDB Entry DOI: 10.7270/Q2474BJ3
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50076474
PNG
(CHEMBL416252 | Phosphoric acid mono-[5-(6-amino-pu...)
Show SMILES Nc1ncnc2n(cnc12)C1COC(COP(O)(O)=O)C(C1)OP(O)(O)=O
Show InChI InChI=1S/C11H17N5O9P2/c12-10-9-11(14-4-13-10)16(5-15-9)6-1-7(25-27(20,21)22)8(23-2-6)3-24-26(17,18)19/h4-8H,1-3H2,(H2,12,13,14)(H2,17,18,19)(H2,20,21,22)
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n/an/an/an/a 2.99E+3n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
In vitro stimulation of 2PY1 purinoceptor mediated phospholipase C (PLC) activity in Turkey Erythrocyte Ghosts


J Med Chem 43: 829-42 (2000)


BindingDB Entry DOI: 10.7270/Q2474BJ3
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50085827
PNG
(CHEMBL169580 | Phosphoric acid mono-[5-(6-methylam...)
Show SMILES Nc1ncnc2n(cnc12)C1CN(CCP(O)(O)=O)CC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1
Show InChI InChI=1S/C12H22N6O14P4/c13-11-10-12(15-6-14-11)18(7-16-10)9-4-17(1-2-33(19,20)21)3-8(30-9)5-29-35(25,26)32-36(27,28)31-34(22,23)24/h6-9H,1-5H2,(H,25,26)(H,27,28)(H2,13,14,15)(H2,19,20,21)(H2,22,23,24)
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n/an/an/an/a 4.10E+4n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
In vitro stimulation of 2PY1 purinoceptor mediated phospholipase C (PLC) activity in Turkey Erythrocyte Ghosts


J Med Chem 43: 829-42 (2000)


BindingDB Entry DOI: 10.7270/Q2474BJ3
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50085829
PNG
(CHEMBL355406 | Phosphoric acid mono-[4-(2-amino-6-...)
Show SMILES CNc1nc(N)nc2n(cnc12)[C@@H]1C[C@H](COP(O)(O)=O)[C@@H](C1)OP(O)(O)=O
Show InChI InChI=1S/C12H20N6O8P2/c1-14-10-9-11(17-12(13)16-10)18(5-15-9)7-2-6(4-25-27(19,20)21)8(3-7)26-28(22,23)24/h5-8H,2-4H2,1H3,(H2,19,20,21)(H2,22,23,24)(H3,13,14,16,17)/t6-,7-,8-/m1/s1
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n/an/an/an/a 6.51E+3n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
In vitro stimulation of 2PY1 purinoceptor mediated phospholipase C (PLC) activity in Turkey Erythrocyte Ghosts


J Med Chem 43: 829-42 (2000)


BindingDB Entry DOI: 10.7270/Q2474BJ3
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50085825
PNG
(CHEMBL353178 | Phosphoric acid mono-[4-(6-amino-pu...)
Show SMILES Nc1ncnc2n(cnc12)C1CC(OP(O)(O)=O)C2(COP(O)(O)=O)CC12
Show InChI InChI=1S/C12H17N5O8P2/c13-10-9-11(15-4-14-10)17(5-16-9)7-1-8(25-27(21,22)23)12(2-6(7)12)3-24-26(18,19)20/h4-8H,1-3H2,(H2,13,14,15)(H2,18,19,20)(H2,21,22,23)
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n/an/an/an/a 155n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
In vitro stimulation of 2PY1 purinoceptor mediated phospholipase C (PLC) activity in Turkey Erythrocyte Ghosts


J Med Chem 43: 829-42 (2000)


BindingDB Entry DOI: 10.7270/Q2474BJ3
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50085820
PNG
(CHEMBL352431 | {2-[2-(6-Amino-purin-9-yl)-6-phosph...)
Show SMILES Nc1ncnc2n(cnc12)C1CN(CCP(O)(O)=O)CC(COP(O)(O)=O)O1
Show InChI InChI=1S/C12H20N6O8P2/c13-11-10-12(15-6-14-11)18(7-16-10)9-4-17(1-2-27(19,20)21)3-8(26-9)5-25-28(22,23)24/h6-9H,1-5H2,(H2,13,14,15)(H2,19,20,21)(H2,22,23,24)
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 3.70E+4n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
In vitro stimulation of 2PY1 purinoceptor mediated phospholipase C (PLC) activity in Turkey Erythrocyte Ghosts


J Med Chem 43: 829-42 (2000)


BindingDB Entry DOI: 10.7270/Q2474BJ3
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50085822
PNG
(CHEMBL444868 | Phosphoric acid mono-[1-(6-amino-pu...)
Show SMILES Nc1ncnc2n(cnc12)C12CC1C(COP(O)(O)=O)C(C2)OP(O)(O)=O
Show InChI InChI=1S/C12H17N5O8P2/c13-10-9-11(15-4-14-10)17(5-16-9)12-1-7(12)6(3-24-26(18,19)20)8(2-12)25-27(21,22)23/h4-8H,1-3H2,(H2,13,14,15)(H2,18,19,20)(H2,21,22,23)
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
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PubMed
n/an/an/an/a 1.89E+4n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
In vitro stimulation of 2PY1 purinoceptor mediated phospholipase C (PLC) activity in Turkey Erythrocyte Ghosts


J Med Chem 43: 829-42 (2000)


BindingDB Entry DOI: 10.7270/Q2474BJ3
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50085313
PNG
(CHEMBL165225 | Phosphoric acid mono-[4-(6-amino-pu...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@H](COP(O)(O)=O)[C@@H](C1)OP(O)(O)=O
Show InChI InChI=1S/C11H17N5O8P2/c12-10-9-11(14-4-13-10)16(5-15-9)7-1-6(3-23-25(17,18)19)8(2-7)24-26(20,21)22/h4-8H,1-3H2,(H2,12,13,14)(H2,17,18,19)(H2,20,21,22)/t6-,7-,8-/m1/s1
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 7.21E+3n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
In vitro stimulation of 2PY1 purinoceptor mediated phospholipase C (PLC) activity in Turkey Erythrocyte Ghosts


J Med Chem 43: 829-42 (2000)


BindingDB Entry DOI: 10.7270/Q2474BJ3
More data for this
Ligand-Target Pair