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PubMed code 17564423

Compile data set for download or QSAR
Found 24 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))		BDBM50215404
PNG
(CHEMBL227235 | [3-(2-iodo-6-methylaminopurin-9-yl)...)
Show SMILES CNc1nc(I)nc2n(CC(CP(O)(O)=O)CP(O)(O)=O)cnc12
Show InChI InChI=1S/C10H16IN5O6P2/c1-12-8-7-9(15-10(11)14-8)16(5-13-7)2-6(3-23(17,18)19)4-24(20,21)22/h5-6H,2-4H2,1H3,(H,12,14,15)(H2,17,18,19)(H2,20,21,22)
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 66n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]MRS2270 from human P2Y1 receptor expressed in Sf9 cells

J Med Chem 50: 3229-41 (2007)


Article DOI: 10.1021/jm0700971
BindingDB Entry DOI: 10.7270/Q2BK1C2D
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50121987
PNG
(CHEMBL153254 | [3-(2-Chloro-6-methylamino-purin-9-...)
Show SMILES CNc1nc(Cl)nc2n(CC(CP(O)(O)=O)CP(O)(O)=O)cnc12
Show InChI InChI=1S/C10H16ClN5O6P2/c1-12-8-7-9(15-10(11)14-8)16(5-13-7)2-6(3-23(17,18)19)4-24(20,21)22/h5-6H,2-4H2,1H3,(H,12,14,15)(H2,17,18,19)(H2,20,21,22)
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 76n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]MRS2270 from human P2Y1 receptor expressed in Sf9 cells

J Med Chem 50: 3229-41 (2007)


Article DOI: 10.1021/jm0700971
BindingDB Entry DOI: 10.7270/Q2BK1C2D
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50215406
PNG
((1'R,2'S,4'S,5'S)-4-(2-ethynyl-6-methylaminopurin-...)
Show SMILES CNc1nc(nc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12)C#C
Show InChI InChI=1S/C15H19N5O8P2/c1-3-11-18-13(16-2)12-14(19-11)20(7-17-12)9-4-10(28-30(24,25)26)15(5-8(9)15)6-27-29(21,22)23/h1,7-10H,4-6H2,2H3,(H,16,18,19)(H2,21,22,23)(H2,24,25,26)/t8-,9+,10+,15+/m1/s1
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 95n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]MRS2270 from human P2Y1 receptor expressed in Sf9 cells

J Med Chem 50: 3229-41 (2007)


Article DOI: 10.1021/jm0700971
BindingDB Entry DOI: 10.7270/Q2BK1C2D
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50215400
PNG
((1'R,2'S,4'R,5'S)-phosphoric acid mono-[4-(6-methy...)
Show SMILES CNc1nc(nc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12)-c1ccccc1
Show InChI InChI=1S/C19H23N5O8P2/c1-20-17-15-18(23-16(22-17)11-5-3-2-4-6-11)24(10-21-15)13-7-14(32-34(28,29)30)19(8-12(13)19)9-31-33(25,26)27/h2-6,10,12-14H,7-9H2,1H3,(H,20,22,23)(H2,25,26,27)(H2,28,29,30)/t12-,13+,14+,19+/m1/s1
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 273n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]MRS2270 from human P2Y1 receptor expressed in Sf9 cells

J Med Chem 50: 3229-41 (2007)


Article DOI: 10.1021/jm0700971
BindingDB Entry DOI: 10.7270/Q2BK1C2D
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50215402
PNG
((1'R,2'S,4'R,5'S)-phosphoric acid mono-[4-(2-cyano...)
Show SMILES CNc1nc(nc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12)C#N
Show InChI InChI=1S/C14H18N6O8P2/c1-16-12-11-13(19-10(4-15)18-12)20(6-17-11)8-2-9(28-30(24,25)26)14(3-7(8)14)5-27-29(21,22)23/h6-9H,2-3,5H2,1H3,(H,16,18,19)(H2,21,22,23)(H2,24,25,26)/t7-,8+,9+,14+/m1/s1
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 540n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]MRS2270 from human P2Y1 receptor expressed in Sf9 cells

J Med Chem 50: 3229-41 (2007)


Article DOI: 10.1021/jm0700971
BindingDB Entry DOI: 10.7270/Q2BK1C2D
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50215403
PNG
((1'R,2'S,4'R,5'S)-phosphoric acid mono-[4-(2-carba...)
Show SMILES CNc1nc(nc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12)C(N)=O
Show InChI InChI=1S/C14H20N6O9P2/c1-16-11-9-13(19-12(18-11)10(15)21)20(5-17-9)7-2-8(29-31(25,26)27)14(3-6(7)14)4-28-30(22,23)24/h5-8H,2-4H2,1H3,(H2,15,21)(H,16,18,19)(H2,22,23,24)(H2,25,26,27)/t6-,7+,8+,14+/m1/s1
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 650n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]MRS2270 from human P2Y1 receptor expressed in Sf9 cells

J Med Chem 50: 3229-41 (2007)


Article DOI: 10.1021/jm0700971
BindingDB Entry DOI: 10.7270/Q2BK1C2D
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50215401
PNG
((1'R,2'S,4'S,5'S)-phosphoric acid mono-[1-hydroxym...)
Show SMILES CNc1nc(I)nc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(CO)C[C@H]12
Show InChI InChI=1S/C13H17IN5O5P/c1-15-10-9-11(18-12(14)17-10)19(5-16-9)7-2-8(24-25(21,22)23)13(4-20)3-6(7)13/h5-8,20H,2-4H2,1H3,(H,15,17,18)(H2,21,22,23)/t6-,7+,8+,13+/m1/s1
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 706n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]MRS2270 from human P2Y1 receptor expressed in Sf9 cells

J Med Chem 50: 3229-41 (2007)


Article DOI: 10.1021/jm0700971
BindingDB Entry DOI: 10.7270/Q2BK1C2D
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50215405
PNG
((1'R,2'S,4'R,5'S)-6-methylamino-9-(4-phosphonooxy-...)
Show SMILES CNc1nc(nc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12)C(O)=O
Show InChI InChI=1S/C14H19N5O10P2/c1-15-10-9-12(18-11(17-10)13(20)21)19(5-16-9)7-2-8(29-31(25,26)27)14(3-6(7)14)4-28-30(22,23)24/h5-8H,2-4H2,1H3,(H,20,21)(H,15,17,18)(H2,22,23,24)(H2,25,26,27)/t6-,7+,8+,14+/m1/s1
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 1.43E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]MRS2270 from human P2Y1 receptor expressed in Sf9 cells

J Med Chem 50: 3229-41 (2007)


Article DOI: 10.1021/jm0700971
BindingDB Entry DOI: 10.7270/Q2BK1C2D
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50215406
PNG
((1'R,2'S,4'S,5'S)-4-(2-ethynyl-6-methylaminopurin-...)
Show SMILES CNc1nc(nc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12)C#C
Show InChI InChI=1S/C15H19N5O8P2/c1-3-11-18-13(16-2)12-14(19-11)20(7-17-12)9-4-10(28-30(24,25)26)15(5-8(9)15)6-27-29(21,22)23/h1,7-10H,4-6H2,2H3,(H,16,18,19)(H2,21,22,23)(H2,24,25,26)/t8-,9+,10+,15+/m1/s1
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n/an/a 93n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y1 receptor expressed in 1321N1 cells assessed as inhibition of 2-MeSADP-induced inositol phosphate formation

J Med Chem 50: 3229-41 (2007)


Article DOI: 10.1021/jm0700971
BindingDB Entry DOI: 10.7270/Q2BK1C2D
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50215406
PNG
((1'R,2'S,4'S,5'S)-4-(2-ethynyl-6-methylaminopurin-...)
Show SMILES CNc1nc(nc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12)C#C
Show InChI InChI=1S/C15H19N5O8P2/c1-3-11-18-13(16-2)12-14(19-11)20(7-17-12)9-4-10(28-30(24,25)26)15(5-8(9)15)6-27-29(21,22)23/h1,7-10H,4-6H2,2H3,(H,16,18,19)(H2,21,22,23)(H2,24,25,26)/t8-,9+,10+,15+/m1/s1
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n/an/a 93n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y1 receptor expressed in 1321N1 cells assessed as inhibition of 2-MeS-ADP-stimulated PLC activity

J Med Chem 50: 3229-41 (2007)


Article DOI: 10.1021/jm0700971
BindingDB Entry DOI: 10.7270/Q2BK1C2D
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50121987
PNG
(CHEMBL153254 | [3-(2-Chloro-6-methylamino-purin-9-...)
Show SMILES CNc1nc(Cl)nc2n(CC(CP(O)(O)=O)CP(O)(O)=O)cnc12
Show InChI InChI=1S/C10H16ClN5O6P2/c1-12-8-7-9(15-10(11)14-8)16(5-13-7)2-6(3-23(17,18)19)4-24(20,21)22/h5-6H,2-4H2,1H3,(H,12,14,15)(H2,17,18,19)(H2,20,21,22)
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n/an/a 617n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y1 receptor expressed in 1321N1 cells assessed as inhibition of 2-MeS-ADP-stimulated PLC activity

J Med Chem 50: 3229-41 (2007)


Article DOI: 10.1021/jm0700971
BindingDB Entry DOI: 10.7270/Q2BK1C2D
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50121987
PNG
(CHEMBL153254 | [3-(2-Chloro-6-methylamino-purin-9-...)
Show SMILES CNc1nc(Cl)nc2n(CC(CP(O)(O)=O)CP(O)(O)=O)cnc12
Show InChI InChI=1S/C10H16ClN5O6P2/c1-12-8-7-9(15-10(11)14-8)16(5-13-7)2-6(3-23(17,18)19)4-24(20,21)22/h5-6H,2-4H2,1H3,(H,12,14,15)(H2,17,18,19)(H2,20,21,22)
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n/an/a 620n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y1 receptor expressed in 1321N1 cells assessed as inhibition of 2-MeSADP-induced inositol phosphate formation

J Med Chem 50: 3229-41 (2007)


Article DOI: 10.1021/jm0700971
BindingDB Entry DOI: 10.7270/Q2BK1C2D
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50215404
PNG
(CHEMBL227235 | [3-(2-iodo-6-methylaminopurin-9-yl)...)
Show SMILES CNc1nc(I)nc2n(CC(CP(O)(O)=O)CP(O)(O)=O)cnc12
Show InChI InChI=1S/C10H16IN5O6P2/c1-12-8-7-9(15-10(11)14-8)16(5-13-7)2-6(3-23(17,18)19)4-24(20,21)22/h5-6H,2-4H2,1H3,(H,12,14,15)(H2,17,18,19)(H2,20,21,22)
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n/an/a 790n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y1 receptor expressed in 1321N1 cells assessed as inhibition of 2-MeSADP-induced inositol phosphate formation

J Med Chem 50: 3229-41 (2007)


Article DOI: 10.1021/jm0700971
BindingDB Entry DOI: 10.7270/Q2BK1C2D
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50215404
PNG
(CHEMBL227235 | [3-(2-iodo-6-methylaminopurin-9-yl)...)
Show SMILES CNc1nc(I)nc2n(CC(CP(O)(O)=O)CP(O)(O)=O)cnc12
Show InChI InChI=1S/C10H16IN5O6P2/c1-12-8-7-9(15-10(11)14-8)16(5-13-7)2-6(3-23(17,18)19)4-24(20,21)22/h5-6H,2-4H2,1H3,(H,12,14,15)(H2,17,18,19)(H2,20,21,22)
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n/an/a 794n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y1 receptor expressed in 1321N1 cells assessed as inhibition of 2-MeS-ADP-stimulated PLC activity

J Med Chem 50: 3229-41 (2007)


Article DOI: 10.1021/jm0700971
BindingDB Entry DOI: 10.7270/Q2BK1C2D
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50215405
PNG
((1'R,2'S,4'R,5'S)-6-methylamino-9-(4-phosphonooxy-...)
Show SMILES CNc1nc(nc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12)C(O)=O
Show InChI InChI=1S/C14H19N5O10P2/c1-15-10-9-12(18-11(17-10)13(20)21)19(5-16-9)7-2-8(29-31(25,26)27)14(3-6(7)14)4-28-30(22,23)24/h5-8H,2-4H2,1H3,(H,20,21)(H,15,17,18)(H2,22,23,24)(H2,25,26,27)/t6-,7+,8+,14+/m1/s1
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n/an/a 870n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y1 receptor expressed in 1321N1 cells assessed as inhibition of 2-MeSADP-induced inositol phosphate formation

J Med Chem 50: 3229-41 (2007)


Article DOI: 10.1021/jm0700971
BindingDB Entry DOI: 10.7270/Q2BK1C2D
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50215405
PNG
((1'R,2'S,4'R,5'S)-6-methylamino-9-(4-phosphonooxy-...)
Show SMILES CNc1nc(nc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12)C(O)=O
Show InChI InChI=1S/C14H19N5O10P2/c1-15-10-9-12(18-11(17-10)13(20)21)19(5-16-9)7-2-8(29-31(25,26)27)14(3-6(7)14)4-28-30(22,23)24/h5-8H,2-4H2,1H3,(H,20,21)(H,15,17,18)(H2,22,23,24)(H2,25,26,27)/t6-,7+,8+,14+/m1/s1
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n/an/a 871n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y1 receptor expressed in 1321N1 cells assessed as inhibition of 2-MeS-ADP-stimulated PLC activity

J Med Chem 50: 3229-41 (2007)


Article DOI: 10.1021/jm0700971
BindingDB Entry DOI: 10.7270/Q2BK1C2D
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50215401
PNG
((1'R,2'S,4'S,5'S)-phosphoric acid mono-[1-hydroxym...)
Show SMILES CNc1nc(I)nc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(CO)C[C@H]12
Show InChI InChI=1S/C13H17IN5O5P/c1-15-10-9-11(18-12(14)17-10)19(5-16-9)7-2-8(24-25(21,22)23)13(4-20)3-6(7)13/h5-8,20H,2-4H2,1H3,(H,15,17,18)(H2,21,22,23)/t6-,7+,8+,13+/m1/s1
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n/an/a 1.55E+3n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y1 receptor expressed in 1321N1 cells assessed as inhibition of 2-MeS-ADP-stimulated PLC activity

J Med Chem 50: 3229-41 (2007)


Article DOI: 10.1021/jm0700971
BindingDB Entry DOI: 10.7270/Q2BK1C2D
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50215401
PNG
((1'R,2'S,4'S,5'S)-phosphoric acid mono-[1-hydroxym...)
Show SMILES CNc1nc(I)nc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(CO)C[C@H]12
Show InChI InChI=1S/C13H17IN5O5P/c1-15-10-9-11(18-12(14)17-10)19(5-16-9)7-2-8(24-25(21,22)23)13(4-20)3-6(7)13/h5-8,20H,2-4H2,1H3,(H,15,17,18)(H2,21,22,23)/t6-,7+,8+,13+/m1/s1
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n/an/a 1.56E+3n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y1 receptor expressed in 1321N1 cells assessed as inhibition of 2-MeSADP-induced inositol phosphate formation

J Med Chem 50: 3229-41 (2007)


Article DOI: 10.1021/jm0700971
BindingDB Entry DOI: 10.7270/Q2BK1C2D
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50215403
PNG
((1'R,2'S,4'R,5'S)-phosphoric acid mono-[4-(2-carba...)
Show SMILES CNc1nc(nc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12)C(N)=O
Show InChI InChI=1S/C14H20N6O9P2/c1-16-11-9-13(19-12(18-11)10(15)21)20(5-17-9)7-2-8(29-31(25,26)27)14(3-6(7)14)4-28-30(22,23)24/h5-8H,2-4H2,1H3,(H2,15,21)(H,16,18,19)(H2,22,23,24)(H2,25,26,27)/t6-,7+,8+,14+/m1/s1
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n/an/a 1.74E+3n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y1 receptor expressed in 1321N1 cells assessed as inhibition of 2-MeS-ADP-stimulated PLC activity

J Med Chem 50: 3229-41 (2007)


Article DOI: 10.1021/jm0700971
BindingDB Entry DOI: 10.7270/Q2BK1C2D
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50215403
PNG
((1'R,2'S,4'R,5'S)-phosphoric acid mono-[4-(2-carba...)
Show SMILES CNc1nc(nc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12)C(N)=O
Show InChI InChI=1S/C14H20N6O9P2/c1-16-11-9-13(19-12(18-11)10(15)21)20(5-17-9)7-2-8(29-31(25,26)27)14(3-6(7)14)4-28-30(22,23)24/h5-8H,2-4H2,1H3,(H2,15,21)(H,16,18,19)(H2,22,23,24)(H2,25,26,27)/t6-,7+,8+,14+/m1/s1
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n/an/a 1.75E+3n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y1 receptor expressed in 1321N1 cells assessed as inhibition of 2-MeSADP-induced inositol phosphate formation

J Med Chem 50: 3229-41 (2007)


Article DOI: 10.1021/jm0700971
BindingDB Entry DOI: 10.7270/Q2BK1C2D
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50215400
PNG
((1'R,2'S,4'R,5'S)-phosphoric acid mono-[4-(6-methy...)
Show SMILES CNc1nc(nc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12)-c1ccccc1
Show InChI InChI=1S/C19H23N5O8P2/c1-20-17-15-18(23-16(22-17)11-5-3-2-4-6-11)24(10-21-15)13-7-14(32-34(28,29)30)19(8-12(13)19)9-31-33(25,26)27/h2-6,10,12-14H,7-9H2,1H3,(H,20,22,23)(H2,25,26,27)(H2,28,29,30)/t12-,13+,14+,19+/m1/s1
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n/an/a 1.94E+3n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y1 receptor expressed in 1321N1 cells assessed as inhibition of 2-MeSADP-induced inositol phosphate formation

J Med Chem 50: 3229-41 (2007)


Article DOI: 10.1021/jm0700971
BindingDB Entry DOI: 10.7270/Q2BK1C2D
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50215400
PNG
((1'R,2'S,4'R,5'S)-phosphoric acid mono-[4-(6-methy...)
Show SMILES CNc1nc(nc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12)-c1ccccc1
Show InChI InChI=1S/C19H23N5O8P2/c1-20-17-15-18(23-16(22-17)11-5-3-2-4-6-11)24(10-21-15)13-7-14(32-34(28,29)30)19(8-12(13)19)9-31-33(25,26)27/h2-6,10,12-14H,7-9H2,1H3,(H,20,22,23)(H2,25,26,27)(H2,28,29,30)/t12-,13+,14+,19+/m1/s1
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n/an/a 1.95E+3n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y1 receptor expressed in 1321N1 cells assessed as inhibition of 2-MeS-ADP-stimulated PLC activity

J Med Chem 50: 3229-41 (2007)


Article DOI: 10.1021/jm0700971
BindingDB Entry DOI: 10.7270/Q2BK1C2D
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50215402
PNG
((1'R,2'S,4'R,5'S)-phosphoric acid mono-[4-(2-cyano...)
Show SMILES CNc1nc(nc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12)C#N
Show InChI InChI=1S/C14H18N6O8P2/c1-16-12-11-13(19-10(4-15)18-12)20(6-17-11)8-2-9(28-30(24,25)26)14(3-7(8)14)5-27-29(21,22)23/h6-9H,2-3,5H2,1H3,(H,16,18,19)(H2,21,22,23)(H2,24,25,26)/t7-,8+,9+,14+/m1/s1
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n/an/a 6.90E+3n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y1 receptor expressed in 1321N1 cells assessed as inhibition of 2-MeSADP-induced inositol phosphate formation

J Med Chem 50: 3229-41 (2007)


Article DOI: 10.1021/jm0700971
BindingDB Entry DOI: 10.7270/Q2BK1C2D
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50215402
PNG
((1'R,2'S,4'R,5'S)-phosphoric acid mono-[4-(2-cyano...)
Show SMILES CNc1nc(nc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12)C#N
Show InChI InChI=1S/C14H18N6O8P2/c1-16-12-11-13(19-10(4-15)18-12)20(6-17-11)8-2-9(28-30(24,25)26)14(3-7(8)14)5-27-29(21,22)23/h6-9H,2-3,5H2,1H3,(H,16,18,19)(H2,21,22,23)(H2,24,25,26)/t7-,8+,9+,14+/m1/s1
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n/an/a 6.92E+3n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y1 receptor expressed in 1321N1 cells assessed as inhibition of 2-MeS-ADP-stimulated PLC activity

J Med Chem 50: 3229-41 (2007)


Article DOI: 10.1021/jm0700971
BindingDB Entry DOI: 10.7270/Q2BK1C2D
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%