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PubMed code 15481977

Compile data set for download or QSAR
Found 62 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 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/a 22n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition concentration required against human Y273A mutant strain P2Y1 receptor expressed in COS-7 cells is determined using [3H]-MRS2279 as radiol...

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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/a 24n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition concentration required against wild type strain P2Y1 receptor expressed in COS-7 cells is determined using [3H]-MRS2279 as radioligand

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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/a 40n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition concentration required against human Y273F mutant strain P2Y1 receptor expressed in COS-7 cells is determined using [3H]MRS2279 as radioli...

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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/a 150n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition concentration required against human Y306A mutant strain P2Y1 receptor expressed in COS-7 cells is determined using [3H]MRS2279 as radioli...

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
P2Y purinoceptor 1


(Homo sapiens (Human))		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 210n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition concentration required against wild type strain P2Y1 receptor expressed in COS-7 cells is determined using [3H]-MRS2279 as radioligand

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
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/a 260n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition concentration required against human Y203F mutant strain P2Y1 receptor expressed in COS-7 cells is determined using [3H]MRS2279 as radioli...

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
P2Y purinoceptor 1


(Homo sapiens (Human))		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 320n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition concentration required against human Y306A mutant strain P2Y1 receptor expressed in COS-7 cells is determined using [3H]MRS2279 as radioli...

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		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 330n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition concentration required against human Y203F mutant strain P2Y1 receptor expressed in COS-7 cells is determined using [3H]MRS2279 as radioli...

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
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/a 360n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition concentration required against human Y306F mutant strain P2Y1 receptor expressed in COS-7 cells is determined using [3H]MRS2279 as radioli...

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
P2Y purinoceptor 1


(Homo sapiens (Human))		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 480n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition concentration required against human Y273A mutant strain P2Y1 receptor expressed in COS-7 cells is determined using [3H]-MRS2279 as radiol...

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		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 660n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition concentration required against human Y273F mutant strain P2Y1 receptor expressed in COS-7 cells is determined using [3H]MRS2279 as radioli...

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		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 740n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition concentration required against human Y203A (EL2) mutant strain P2Y1 receptor expressed in COS-7 cells is determined using [3H]MRS2279 as r...

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		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 980n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition concentration required against human Y306F mutant strain P2Y1 receptor expressed in COS-7 cells is determined using [3H]MRS2279 as radioli...

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
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/a>1.00E+4n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition concentration required against human Y203A (EL2) mutant strain P2Y1 receptor expressed in COS-7 cells is determined using [3H]MRS2279 as r...

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 15n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration to activate human Y306A mutant strain P2Y1 receptor expressed in COS-7 cells for the accumulation of inositol phosphate

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 9.20n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human R285A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration to activate wild-type P2Y1 receptor expressed in COS-7 cells for the accumulation of inositol phosphate

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 7.80n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human R212A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 18n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human K198A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 3.90n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human D289A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 19n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration to activate human Y306F mutant strain P2Y1 receptor expressed in COS-7 cells for the accumulation of inositol phosphate

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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>1.00E+5n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human C202A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 100n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human H277A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 1.48E+4n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human R287A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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>1.00E+5n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human R287E mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 2.20n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of wild-type P2Y1 receptors expressed in COS-7 cells for the accumulation of inositol phosphate i...

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 21n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human F226A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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>1.00E+4n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration to activate human Y273A mutant strain P2Y1 receptor expressed in COS-7 cells for the accumulation of inositol phosphate

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 16n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human T221A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 9.80n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human D300A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 6n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration to activate human Y273F mutant strain P2Y1 receptor expressed in COS-7 cells for the accumulation of inositol phosphate

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 2.5n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human K196A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 8.60n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human E209Q mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 12n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human S314T mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 455n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human Q307A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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>1.00E+5n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human C124A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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>1.00E+5n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human S314A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 4.90n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human E209R mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 5.16E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human C296A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 16n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human H132A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 418n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human R310K mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 2.60n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human R301A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 1.60n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human S317A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 75n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human R287K mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 145n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human D204E mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 67n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human D204A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 16n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration to activate human Y203F mutant strain P2Y1 receptor expressed in COS-7 cells for the accumulation of inositol phosphate

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 4.70n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human R195A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 1.79E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human K280A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 5.90n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human K125A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 1.30n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of wild-type P2Y1 receptors expressed in COS-7 cells for the accumulation of inositol phosphate

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 18n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human F131A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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>1.00E+5n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human R310A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 13n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human Y136A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 1.72E+4n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human E209A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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>1.00E+4n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration to activate human Y203A (EL2) mutant strain P2Y1 receptor expressed in COS-7 cells for the accumulation of inositol phosphate

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 3.20n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human E209D mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 5.29E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human R287Q mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 11n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human T222A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 3.60n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human D208A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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>1.00E+5n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human R128A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 595n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration required for the activation of human D204N mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...

J Med Chem 47: 5393-404 (2004)


Article DOI: 10.1021/jm049914c
BindingDB Entry DOI: 10.7270/Q2GQ6ZJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
* indicates data uncertainty>20%