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Compile Data Set for Download or QSAR

Found 36 hits Enz. Inhib. hit(s) with all data for entry = 50036804   
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)
BDBM50076466
PNG
(2-(6-Methylamino-purin-9-yl)-5,7,9,11-tetraoxo-tet...)
Show SMILES CNc1ncnc2n(cnc12)C1CC2OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OCC2O1
Show InChI InChI=1S/C11H17N5O14P4/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6-7(26-8)3-25-31(17,18)28-33(21,22)30-34(23,24)29-32(19,20)27-6/h4-8H,2-3H2,1H3,(H,17,18)(H,19,20)(H,21,22)(H,23,24)(H,12,13,14)
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n/an/a 158n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
In vitro antagonist activity at P2Y1 receptor in turkey erythrocyte membranes.


J Med Chem 42: 1625-38 (1999)


Article DOI: 10.1021/jm980657j
BindingDB Entry DOI: 10.7270/Q28C9WZM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50076460
PNG
(CHEMBL288798 | Phosphoric acid mono-[5-(2-chloro-6...)
Show SMILES CNc1nc(Cl)nc2n(cnc12)C1CC(OP(O)(O)=O)C(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)
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n/an/a 206n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
In vitro antagonist activity at P2Y1 receptor in turkey erythrocyte membranes.


J Med Chem 42: 1625-38 (1999)


Article DOI: 10.1021/jm980657j
BindingDB Entry DOI: 10.7270/Q28C9WZM
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
In vitro antagonist activity at P2Y1 receptor in turkey erythrocyte membranes.


J Med Chem 42: 1625-38 (1999)


Article DOI: 10.1021/jm980657j
BindingDB Entry DOI: 10.7270/Q28C9WZM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50076475
PNG
(CHEMBL43924 | Phosphoric acid mono-[5-(6-methylami...)
Show SMILES CNc1nc(SC)nc2n(cnc12)C1CC(OP(O)(O)=O)C(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)
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n/an/a 362n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
In vitro antagonist activity at P2Y1 receptor in turkey erythrocyte membranes.


J Med Chem 42: 1625-38 (1999)


Article DOI: 10.1021/jm980657j
BindingDB Entry DOI: 10.7270/Q28C9WZM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50076462
PNG
(CHEMBL440662 | Phosphoric acid mono-[5-(6-methylam...)
Show SMILES CCCSc1nc(NC)c2ncn(C3CC(OP(O)(O)=O)C(COP(O)(O)=O)O3)c2n1
Show InChI InChI=1S/C14H23N5O9P2S/c1-3-4-31-14-17-12(15-2)11-13(18-14)19(7-16-11)10-5-8(28-30(23,24)25)9(27-10)6-26-29(20,21)22/h7-10H,3-6H2,1-2H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)
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n/an/a 449n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
In vitro antagonist activity at P2Y1 receptor in turkey erythrocyte membranes.


J Med Chem 42: 1625-38 (1999)


Article DOI: 10.1021/jm980657j
BindingDB Entry DOI: 10.7270/Q28C9WZM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50076461
PNG
(CHEMBL42879 | Phosphoric acid mono-[5-(2-allylsulf...)
Show SMILES CNc1nc(SCC=C)nc2n(cnc12)C1CC(OP(O)(O)=O)C(COP(O)(O)=O)O1
Show InChI InChI=1S/C14H21N5O9P2S/c1-3-4-31-14-17-12(15-2)11-13(18-14)19(7-16-11)10-5-8(28-30(23,24)25)9(27-10)6-26-29(20,21)22/h3,7-10H,1,4-6H2,2H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)
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n/an/a 475n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
In vitro antagonist activity at P2Y1 receptor in turkey erythrocyte membranes.


J Med Chem 42: 1625-38 (1999)


Article DOI: 10.1021/jm980657j
BindingDB Entry DOI: 10.7270/Q28C9WZM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50076470
PNG
(CHEMBL42028 | Phosphoric acid mono-[5-(2-iodo-6-me...)
Show SMILES CNc1nc(I)nc2n(cnc12)C1CC(OP(O)(O)=O)C(COP(O)(O)=O)O1
Show InChI InChI=1S/C11H16IN5O9P2/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)
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n/an/a 891n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
In vitro antagonist activity at P2Y1 receptor in turkey erythrocyte membranes.


J Med Chem 42: 1625-38 (1999)


Article DOI: 10.1021/jm980657j
BindingDB Entry DOI: 10.7270/Q28C9WZM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50076473
PNG
(CHEMBL263774 | Phosphoric acid mono-[5-(7-methylam...)
Show SMILES CNc1ccnc2n(cnc12)C1CC(OP(O)(O)=O)C(COP(O)(O)=O)O1
Show InChI InChI=1S/C12H18N4O9P2/c1-13-7-2-3-14-12-11(7)15-6-16(12)10-4-8(25-27(20,21)22)9(24-10)5-23-26(17,18)19/h2-3,6,8-10H,4-5H2,1H3,(H,13,14)(H2,17,18,19)(H2,20,21,22)
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n/an/a 904n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
In vitro antagonist activity at P2Y1 receptor in turkey erythrocyte membranes.


J Med Chem 42: 1625-38 (1999)


Article DOI: 10.1021/jm980657j
BindingDB Entry DOI: 10.7270/Q28C9WZM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50076467
PNG
(CHEMBL295819 | Phosphoric acid mono-[5-(2-ethylsul...)
Show SMILES CCSc1nc(NC)c2ncn(C3CC(OP(O)(O)=O)C(COP(O)(O)=O)O3)c2n1
Show InChI InChI=1S/C13H21N5O9P2S/c1-3-30-13-16-11(14-2)10-12(17-13)18(6-15-10)9-4-7(27-29(22,23)24)8(26-9)5-25-28(19,20)21/h6-9H,3-5H2,1-2H3,(H,14,16,17)(H2,19,20,21)(H2,22,23,24)
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n/an/a 980n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
In vitro antagonist activity at P2Y1 receptor in turkey erythrocyte membranes.


J Med Chem 42: 1625-38 (1999)


Article DOI: 10.1021/jm980657j
BindingDB Entry DOI: 10.7270/Q28C9WZM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50076464
PNG
(CHEMBL43507 | Phosphoric acid mono-[5-(2-amino-6-m...)
Show SMILES CNc1nc(N)nc2n(cnc12)C1CC(OP(O)(O)=O)C(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)
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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
In vitro antagonist activity at P2Y1 receptor in turkey erythrocyte membranes.


J Med Chem 42: 1625-38 (1999)


Article DOI: 10.1021/jm980657j
BindingDB Entry DOI: 10.7270/Q28C9WZM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50062283
PNG
(CHEMBL43531 | Phosphoric acid mono-[5-(6-amino-2-m...)
Show SMILES CSc1nc(N)c2ncn(C3CC(OP(O)(O)=O)C(COP(O)(O)=O)O3)c2n1
Show InChI InChI=1S/C11H17N5O9P2S/c1-28-11-14-9(12)8-10(15-11)16(4-13-8)7-2-5(25-27(20,21)22)6(24-7)3-23-26(17,18)19/h4-7H,2-3H2,1H3,(H2,12,14,15)(H2,17,18,19)(H2,20,21,22)
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n/an/a 1.89E+3n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
In vitro antagonist activity at P2Y1 receptor in turkey erythrocyte membranes.


J Med Chem 42: 1625-38 (1999)


Article DOI: 10.1021/jm980657j
BindingDB Entry DOI: 10.7270/Q28C9WZM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50062286
PNG
(CHEMBL44408 | Phosphoric acid mono-[5-(6-amino-2-c...)
Show SMILES Nc1nc(Cl)nc2n(cnc12)C1CC(OP(O)(O)=O)C(COP(O)(O)=O)O1
Show InChI InChI=1S/C10H14ClN5O9P2/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(25-27(20,21)22)5(24-6)2-23-26(17,18)19/h3-6H,1-2H2,(H2,12,14,15)(H2,17,18,19)(H2,20,21,22)
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n/an/a 2.01E+3n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
In vitro antagonist activity at P2Y1 receptor in turkey erythrocyte membranes.


J Med Chem 42: 1625-38 (1999)


Article DOI: 10.1021/jm980657j
BindingDB Entry DOI: 10.7270/Q28C9WZM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50076455
PNG
(CHEMBL43903 | Phosphoric acid mono-[4-(6-amino-pur...)
Show SMILES Nc1ncnc2n(cnc12)C1CC(COP(O)(O)=O)C(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)
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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
In vitro antagonist activity at P2Y1 receptor in turkey erythrocyte membranes.


J Med Chem 42: 1625-38 (1999)


Article DOI: 10.1021/jm980657j
BindingDB Entry DOI: 10.7270/Q28C9WZM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50076458
PNG
(CHEMBL42627 | Phosphoric acid mono-[5-(2-hexylsulf...)
Show SMILES CCCCCCSc1nc(NC)c2ncn(C3CC(OP(O)(O)=O)C(COP(O)(O)=O)O3)c2n1
Show InChI InChI=1S/C17H29N5O9P2S/c1-3-4-5-6-7-34-17-20-15(18-2)14-16(21-17)22(10-19-14)13-8-11(31-33(26,27)28)12(30-13)9-29-32(23,24)25/h10-13H,3-9H2,1-2H3,(H,18,20,21)(H2,23,24,25)(H2,26,27,28)
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n/an/a 3.37E+3n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
In vitro antagonist activity at P2Y1 receptor in turkey erythrocyte membranes.


J Med Chem 42: 1625-38 (1999)


Article DOI: 10.1021/jm980657j
BindingDB Entry DOI: 10.7270/Q28C9WZM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50076459
PNG
(CHEMBL43868 | Phosphoric acid mono-[5-(6-amino-2-e...)
Show SMILES CCSc1nc(N)c2ncn(C3CC(OP(O)(O)=O)C(COP(O)(O)=O)O3)c2n1
Show InChI InChI=1S/C12H19N5O9P2S/c1-2-29-12-15-10(13)9-11(16-12)17(5-14-9)8-3-6(26-28(21,22)23)7(25-8)4-24-27(18,19)20/h5-8H,2-4H2,1H3,(H2,13,15,16)(H2,18,19,20)(H2,21,22,23)
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n/an/a 4.59E+3n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
In vitro antagonist activity at P2Y1 receptor in turkey erythrocyte membranes.


J Med Chem 42: 1625-38 (1999)


Article DOI: 10.1021/jm980657j
BindingDB Entry DOI: 10.7270/Q28C9WZM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50076463
PNG
(CHEMBL295051 | Phosphoric acid mono-[4-(2-amino-6-...)
Show SMILES CNc1nc(N)nc2n(cnc12)C1CC(COP(O)(O)=O)C(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)
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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
In vitro antagonist activity at P2Y1 receptor in turkey erythrocyte membranes.


J Med Chem 42: 1625-38 (1999)


Article DOI: 10.1021/jm980657j
BindingDB Entry DOI: 10.7270/Q28C9WZM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50062287
PNG
(CHEMBL298487 | Phosphoric acid mono-[5-(6-amino-pu...)
Show SMILES Nc1ncnc2n(cnc12)C1CC(OP(O)(O)=O)C(COP(O)(O)=O)O1
Show InChI InChI=1S/C10H15N5O9P2/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(24-26(19,20)21)6(23-7)2-22-25(16,17)18/h3-7H,1-2H2,(H2,11,12,13)(H2,16,17,18)(H2,19,20,21)
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n/an/a 5.76E+3n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
In vitro antagonist activity at P2Y1 receptor in turkey erythrocyte membranes.


J Med Chem 42: 1625-38 (1999)


Article DOI: 10.1021/jm980657j
BindingDB Entry DOI: 10.7270/Q28C9WZM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50062279
PNG
(CHEMBL416789 | Phosphoric acid mono-[5-(6-amino-pu...)
Show SMILES Nc1ncnc2n(cnc12)C1OC(COP(O)(O)=O)C(OP(O)(O)=O)C1O
Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)
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n/an/a 1.49E+4n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
In vitro antagonist activity at P2Y1 receptor in turkey erythrocyte membranes.


J Med Chem 42: 1625-38 (1999)


Article DOI: 10.1021/jm980657j
BindingDB Entry DOI: 10.7270/Q28C9WZM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50076456
PNG
(CHEMBL264849 | Phosphoric acid mono-[5-(2-amino-6-...)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1CC(OP(O)(O)=O)C(COP(O)(O)=O)O1
Show InChI InChI=1S/C10H15N5O10P2/c11-10-13-8-7(9(16)14-10)12-3-15(8)6-1-4(25-27(20,21)22)5(24-6)2-23-26(17,18)19/h3-6H,1-2H2,(H2,17,18,19)(H2,20,21,22)(H3,11,13,14,16)
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n/an/a 1.49E+4n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
In vitro antagonist activity at P2Y1 receptor in turkey erythrocyte membranes.


J Med Chem 42: 1625-38 (1999)


Article DOI: 10.1021/jm980657j
BindingDB Entry DOI: 10.7270/Q28C9WZM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50076457
PNG
(CHEMBL42554 | [5-(6-Amino-purin-9-yl)-3-phosphonoo...)
Show SMILES Nc1ncnc2n(cnc12)C1CC(OP(O)(O)=O)C(COCP(O)(O)=O)O1
Show InChI InChI=1S/C11H17N5O9P2/c12-10-9-11(14-3-13-10)16(4-15-9)8-1-6(25-27(20,21)22)7(24-8)2-23-5-26(17,18)19/h3-4,6-8H,1-2,5H2,(H2,12,13,14)(H2,17,18,19)(H2,20,21,22)
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n/an/a 1.96E+4n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
In vitro antagonist activity at P2Y1 receptor in turkey erythrocyte membranes.


J Med Chem 42: 1625-38 (1999)


Article DOI: 10.1021/jm980657j
BindingDB Entry DOI: 10.7270/Q28C9WZM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50076468
PNG
(CHEMBL295562 | Phosphoric acid mono-[5-(6-amino-8-...)
Show SMILES Nc1ncnc2n(C3CC(OP(O)(O)=O)C(COP(O)(O)=O)O3)c(C=C)nc12
Show InChI InChI=1S/C12H17N5O9P2/c1-2-8-16-10-11(13)14-5-15-12(10)17(8)9-3-6(26-28(21,22)23)7(25-9)4-24-27(18,19)20/h2,5-7,9H,1,3-4H2,(H2,13,14,15)(H2,18,19,20)(H2,21,22,23)
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n/an/a 3.07E+4n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
In vitro antagonist activity at P2Y1 receptor in turkey erythrocyte membranes.


J Med Chem 42: 1625-38 (1999)


Article DOI: 10.1021/jm980657j
BindingDB Entry DOI: 10.7270/Q28C9WZM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50076469
PNG
(CHEMBL40748 | Phosphoric acid mono-[5-(6-amino-8-m...)
Show SMILES Cc1nc2c(N)ncnc2n1C1CC(OP(O)(O)=O)C(COP(O)(O)=O)O1
Show InChI InChI=1S/C11H17N5O9P2/c1-5-15-9-10(12)13-4-14-11(9)16(5)8-2-6(25-27(20,21)22)7(24-8)3-23-26(17,18)19/h4,6-8H,2-3H2,1H3,(H2,12,13,14)(H2,17,18,19)(H2,20,21,22)
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n/an/a 7.51E+4n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
In vitro antagonist activity at P2Y1 receptor in turkey erythrocyte membranes.


J Med Chem 42: 1625-38 (1999)


Article DOI: 10.1021/jm980657j
BindingDB Entry DOI: 10.7270/Q28C9WZM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50076465
PNG
(CHEMBL44317 | Phosphoric acid mono-[5-(6-methoxyam...)
Show SMILES CONc1ncnc2n(cnc12)C1CC(OP(O)(O)=O)C(COP(O)(O)=O)O1
Show InChI InChI=1S/C11H17N5O10P2/c1-23-15-10-9-11(13-4-12-10)16(5-14-9)8-2-6(26-28(20,21)22)7(25-8)3-24-27(17,18)19/h4-8H,2-3H2,1H3,(H,12,13,15)(H2,17,18,19)(H2,20,21,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
In vitro antagonist activity at P2Y1 receptor in turkey erythrocyte membranes.


J Med Chem 42: 1625-38 (1999)


Article DOI: 10.1021/jm980657j
BindingDB Entry DOI: 10.7270/Q28C9WZM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50076457
PNG
(CHEMBL42554 | [5-(6-Amino-purin-9-yl)-3-phosphonoo...)
Show SMILES Nc1ncnc2n(cnc12)C1CC(OP(O)(O)=O)C(COCP(O)(O)=O)O1
Show InChI InChI=1S/C11H17N5O9P2/c12-10-9-11(14-3-13-10)16(4-15-9)8-1-6(25-27(20,21)22)7(24-8)2-23-5-26(17,18)19/h3-4,6-8H,1-2,5H2,(H2,12,13,14)(H2,17,18,19)(H2,20,21,22)
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n/an/an/an/a 2.77E+4n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Concentration at which 50% of the maximal effect (stimulation of PLC at P2Y1 receptor in the turkey erythrocyte membranes) is reached


J Med Chem 42: 1625-38 (1999)


Article DOI: 10.1021/jm980657j
BindingDB Entry DOI: 10.7270/Q28C9WZM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50076455
PNG
(CHEMBL43903 | Phosphoric acid mono-[4-(6-amino-pur...)
Show SMILES Nc1ncnc2n(cnc12)C1CC(COP(O)(O)=O)C(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)
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n/an/an/an/a 7.21E+3n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Concentration at which 50% of the maximal effect (stimulation of PLC at P2Y1 receptor in the turkey erythrocyte membranes) is reached


J Med Chem 42: 1625-38 (1999)


Article DOI: 10.1021/jm980657j
BindingDB Entry DOI: 10.7270/Q28C9WZM
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
Concentration at which 50% of the maximal effect (stimulation of PLC at P2Y1 receptor in the turkey erythrocyte membranes) is reached


J Med Chem 42: 1625-38 (1999)


Article DOI: 10.1021/jm980657j
BindingDB Entry DOI: 10.7270/Q28C9WZM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50062279
PNG
(CHEMBL416789 | Phosphoric acid mono-[5-(6-amino-pu...)
Show SMILES Nc1ncnc2n(cnc12)C1OC(COP(O)(O)=O)C(OP(O)(O)=O)C1O
Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)
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n/an/an/an/a 2.34E+3n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Concentration at which 50% of the maximal effect (stimulation of PLC at P2Y1 receptor in the turkey erythrocyte membranes) is reached


J Med Chem 42: 1625-38 (1999)


Article DOI: 10.1021/jm980657j
BindingDB Entry DOI: 10.7270/Q28C9WZM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50076470
PNG
(CHEMBL42028 | Phosphoric acid mono-[5-(2-iodo-6-me...)
Show SMILES CNc1nc(I)nc2n(cnc12)C1CC(OP(O)(O)=O)C(COP(O)(O)=O)O1
Show InChI InChI=1S/C11H16IN5O9P2/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)
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n/an/an/an/a 4.44E+3n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Concentration at which 50% of the maximal effect (stimulation of PLC at P2Y1 receptor in the turkey erythrocyte membranes) is reached


J Med Chem 42: 1625-38 (1999)


Article DOI: 10.1021/jm980657j
BindingDB Entry DOI: 10.7270/Q28C9WZM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50076472
PNG
(CHEMBL288993 | Phosphoric acid mono-[5-(6-amino-pu...)
Show SMILES Nc1ncnc2n(cnc12)C1CC(OP(O)(O)=O)C(COP(O)(O)=O)S1
Show InChI InChI=1S/C10H15N5O8P2S/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(23-25(19,20)21)6(26-7)2-22-24(16,17)18/h3-7H,1-2H2,(H2,11,12,13)(H2,16,17,18)(H2,19,20,21)
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n/an/an/an/a 1.22E+4n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Concentration at which 50% of the maximal effect (stimulation of PLC at P2Y1 receptor in the turkey erythrocyte membranes) is reached


J Med Chem 42: 1625-38 (1999)


Article DOI: 10.1021/jm980657j
BindingDB Entry DOI: 10.7270/Q28C9WZM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50062286
PNG
(CHEMBL44408 | Phosphoric acid mono-[5-(6-amino-2-c...)
Show SMILES Nc1nc(Cl)nc2n(cnc12)C1CC(OP(O)(O)=O)C(COP(O)(O)=O)O1
Show InChI InChI=1S/C10H14ClN5O9P2/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(25-27(20,21)22)5(24-6)2-23-26(17,18)19/h3-6H,1-2H2,(H2,12,14,15)(H2,17,18,19)(H2,20,21,22)
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n/an/an/an/a 651n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Concentration at which 50% of the maximal effect (stimulation of PLC at P2Y1 receptor in the turkey erythrocyte membranes) is reached


J Med Chem 42: 1625-38 (1999)


Article DOI: 10.1021/jm980657j
BindingDB Entry DOI: 10.7270/Q28C9WZM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50076459
PNG
(CHEMBL43868 | Phosphoric acid mono-[5-(6-amino-2-e...)
Show SMILES CCSc1nc(N)c2ncn(C3CC(OP(O)(O)=O)C(COP(O)(O)=O)O3)c2n1
Show InChI InChI=1S/C12H19N5O9P2S/c1-2-29-12-15-10(13)9-11(16-12)17(5-14-9)8-3-6(26-28(21,22)23)7(25-8)4-24-27(18,19)20/h5-8H,2-4H2,1H3,(H2,13,15,16)(H2,18,19,20)(H2,21,22,23)
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n/an/an/an/a 1.98E+3n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Concentration at which 50% of the maximal effect (stimulation of PLC at P2Y1 receptor in the turkey erythrocyte membranes) is reached


J Med Chem 42: 1625-38 (1999)


Article DOI: 10.1021/jm980657j
BindingDB Entry DOI: 10.7270/Q28C9WZM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50062287
PNG
(CHEMBL298487 | Phosphoric acid mono-[5-(6-amino-pu...)
Show SMILES Nc1ncnc2n(cnc12)C1CC(OP(O)(O)=O)C(COP(O)(O)=O)O1
Show InChI InChI=1S/C10H15N5O9P2/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(24-26(19,20)21)6(23-7)2-22-25(16,17)18/h3-7H,1-2H2,(H2,11,12,13)(H2,16,17,18)(H2,19,20,21)
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n/an/an/an/a 6.29E+3n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Concentration at which 50% of the maximal effect (stimulation of PLC at P2Y1 receptor in the turkey erythrocyte membranes) is reached


J Med Chem 42: 1625-38 (1999)


Article DOI: 10.1021/jm980657j
BindingDB Entry DOI: 10.7270/Q28C9WZM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50062283
PNG
(CHEMBL43531 | Phosphoric acid mono-[5-(6-amino-2-m...)
Show SMILES CSc1nc(N)c2ncn(C3CC(OP(O)(O)=O)C(COP(O)(O)=O)O3)c2n1
Show InChI InChI=1S/C11H17N5O9P2S/c1-28-11-14-9(12)8-10(15-11)16(4-13-8)7-2-5(25-27(20,21)22)6(24-7)3-23-26(17,18)19/h4-7H,2-3H2,1H3,(H2,12,14,15)(H2,17,18,19)(H2,20,21,22)
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n/an/an/an/a 550n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Concentration at which 50% of the maximal effect (stimulation of PLC at P2Y1 receptor in the turkey erythrocyte membranes) is reached


J Med Chem 42: 1625-38 (1999)


Article DOI: 10.1021/jm980657j
BindingDB Entry DOI: 10.7270/Q28C9WZM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50076466
PNG
(2-(6-Methylamino-purin-9-yl)-5,7,9,11-tetraoxo-tet...)
Show SMILES CNc1ncnc2n(cnc12)C1CC2OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OCC2O1
Show InChI InChI=1S/C11H17N5O14P4/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6-7(26-8)3-25-31(17,18)28-33(21,22)30-34(23,24)29-32(19,20)27-6/h4-8H,2-3H2,1H3,(H,17,18)(H,19,20)(H,21,22)(H,23,24)(H,12,13,14)
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n/an/an/an/a 20n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Concentration at which 50% of the maximal effect (stimulation of PLC at P2Y1 receptor in the turkey erythrocyte membranes) is reached


J Med Chem 42: 1625-38 (1999)


Article DOI: 10.1021/jm980657j
BindingDB Entry DOI: 10.7270/Q28C9WZM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50076463
PNG
(CHEMBL295051 | Phosphoric acid mono-[4-(2-amino-6-...)
Show SMILES CNc1nc(N)nc2n(cnc12)C1CC(COP(O)(O)=O)C(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)
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n/an/an/an/a 6.49E+3n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Concentration at which 50% of the maximal effect (stimulation of PLC at P2Y1 receptor in the turkey erythrocyte membranes) is reached


J Med Chem 42: 1625-38 (1999)


Article DOI: 10.1021/jm980657j
BindingDB Entry DOI: 10.7270/Q28C9WZM
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50076471
PNG
(CHEMBL289949 | Phosphoric acid mono-[5-(6-amino-2-...)
Show SMILES CCCSc1nc(N)c2ncn(C3CC(OP(O)(O)=O)C(COP(O)(O)=O)O3)c2n1
Show InChI InChI=1S/C13H21N5O9P2S/c1-2-3-30-13-16-11(14)10-12(17-13)18(6-15-10)9-4-7(27-29(22,23)24)8(26-9)5-25-28(19,20)21/h6-9H,2-5H2,1H3,(H2,14,16,17)(H2,19,20,21)(H2,22,23,24)
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n/an/an/an/a 1.71E+3n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Concentration at which 50% of the maximal effect (stimulation of PLC at P2Y1 receptor in the turkey erythrocyte membranes) is reached


J Med Chem 42: 1625-38 (1999)


Article DOI: 10.1021/jm980657j
BindingDB Entry DOI: 10.7270/Q28C9WZM
More data for this
Ligand-Target Pair