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10 similar compounds to monomer 50409486

Compile data set for download or QSAR
Wt: 698.4
BDBM50103756
Wt: 551.6
BDBM50112757
Wt: 531.2
BDBM50112758
Wt: 515.2
BDBM50112761
Wt: 563.3
BDBM50112763
Wt: 517.2
BDBM50112765
Wt: 565.6
BDBM50112767
Wt: 391.7
BDBM50308552
Wt: 483.3
BDBM50409523
Wt: 391.7
BDBM50409525

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 50103756,50112757,50112758,50112761,50112763,50112765,50112767,50308552,50409523,50409525   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50103756
PNG
(CHEMBL308634 | dimer[Phosphoric acid mono-[(1R,2R,...)
Show SMILES O[C@@H]1[C@H](O)[C@]2(COP(O)(=O)OP(O)(=O)OC[C@@]34C[C@@H]3[C@H]([C@H](O)[C@@H]4O)n3cnc4c3nc[nH]c4=O)C[C@@H]2[C@H]1n1cnc2c1nc[nH]c2=O
Show InChI InChI=1S/C24H28N8O13P2/c33-15-13(31-7-29-11-19(31)25-5-27-21(11)37)9-1-23(9,17(15)35)3-43-46(39,40)45-47(41,42)44-4-24-2-10(24)14(16(34)18(24)36)32-8-30-12-20(32)26-6-28-22(12)38/h5-10,13-18,33-36H,1-4H2,(H,39,40)(H,41,42)(H,25,27,37)(H,26,28,38)/t9-,10-,13-,14-,15+,16+,17+,18+,23+,24+/m1/s1
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2.16E+4n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA from human Adenosine A3 receptor expressed in HEK-293 cell membranes


Bioorg Med Chem Lett 11: 2295-300 (2001)


Article DOI: 10.1016/s0960-894x(01)00450-4
BindingDB Entry DOI: 10.7270/Q2DJ5DXT
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50308552
PNG
((1'S,2'R,3'S,4'R,5'S)-4-(6-Amino-2-chloro-9H-purin...)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@]2(COP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C12H15ClN5O6P/c13-11-16-9(14)5-10(17-11)18(3-15-5)6-4-1-12(4,8(20)7(6)19)2-24-25(21,22)23/h3-4,6-8,19-20H,1-2H2,(H2,14,16,17)(H2,21,22,23)/t4-,6-,7+,8+,12-/m1/s1
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n/an/an/an/a 1.89n/an/an/an/a



National Institutes of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y1 receptor expressed in human 1321N1 cells by PLC assay


J Med Chem 53: 2562-76 (2010)


Article DOI: 10.1021/jm9018542
BindingDB Entry DOI: 10.7270/Q20C4VVG
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


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



National Institute of Diabetes

Curated by ChEMBL


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


J Med Chem 45: 2090-100 (2002)


Article DOI: 10.1021/jm010538v
BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


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



National Institute of Diabetes

Curated by ChEMBL


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


J Med Chem 45: 2090-100 (2002)


Article DOI: 10.1021/jm010538v
BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


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



National Institute of Diabetes

Curated by ChEMBL


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


J Med Chem 45: 2090-100 (2002)


Article DOI: 10.1021/jm010538v
BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


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



National Institute of Diabetes

Curated by ChEMBL


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


J Med Chem 45: 2090-100 (2002)


Article DOI: 10.1021/jm010538v
BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


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



National Institute of Diabetes

Curated by ChEMBL


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


J Med Chem 45: 2090-100 (2002)


Article DOI: 10.1021/jm010538v
BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


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



National Institute of Diabetes

Curated by ChEMBL


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


J Med Chem 45: 2090-100 (2002)


Article DOI: 10.1021/jm010538v
BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


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



National Institute of Diabetes

Curated by ChEMBL


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


J Med Chem 45: 2090-100 (2002)


Article DOI: 10.1021/jm010538v
BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


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



National Institute of Diabetes

Curated by ChEMBL


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


J Med Chem 45: 2090-100 (2002)


Article DOI: 10.1021/jm010538v
BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


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



National Institute of Diabetes

Curated by ChEMBL


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


J Med Chem 45: 2090-100 (2002)


Article DOI: 10.1021/jm010538v
BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


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



National Institute of Diabetes

Curated by ChEMBL


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


J Med Chem 45: 2090-100 (2002)


Article DOI: 10.1021/jm010538v
BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


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



National Institute of Diabetes

Curated by ChEMBL


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


J Med Chem 45: 2090-100 (2002)


Article DOI: 10.1021/jm010538v
BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


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



National Institute of Diabetes

Curated by ChEMBL


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


J Med Chem 45: 2090-100 (2002)


Article DOI: 10.1021/jm010538v
BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


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



National Institute of Diabetes

Curated by ChEMBL


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


J Med Chem 45: 2090-100 (2002)


Article DOI: 10.1021/jm010538v
BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


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



National Institute of Diabetes

Curated by ChEMBL


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


J Med Chem 45: 2090-100 (2002)


Article DOI: 10.1021/jm010538v
BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


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



National Institute of Diabetes

Curated by ChEMBL


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


J Med Chem 45: 2090-100 (2002)


Article DOI: 10.1021/jm010538v
BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


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



National Institute of Diabetes

Curated by ChEMBL


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


J Med Chem 45: 2090-100 (2002)


Article DOI: 10.1021/jm010538v
BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


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



National Institute of Diabetes

Curated by ChEMBL


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


J Med Chem 45: 2090-100 (2002)


Article DOI: 10.1021/jm010538v
BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


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



National Institute of Diabetes

Curated by ChEMBL


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


J Med Chem 45: 2090-100 (2002)


Article DOI: 10.1021/jm010538v
BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


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



National Institute of Diabetes

Curated by ChEMBL


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


J Med Chem 45: 2090-100 (2002)


Article DOI: 10.1021/jm010538v
BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


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



National Institute of Diabetes

Curated by ChEMBL


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


J Med Chem 45: 2090-100 (2002)


Article DOI: 10.1021/jm010538v
BindingDB Entry DOI: 10.7270/Q25H7GZB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50308552
PNG
((1'S,2'R,3'S,4'R,5'S)-4-(6-Amino-2-chloro-9H-purin...)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@]2(COP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C12H15ClN5O6P/c13-11-16-9(14)5-10(17-11)18(3-15-5)6-4-1-12(4,8(20)7(6)19)2-24-25(21,22)23/h3-4,6-8,19-20H,1-2H2,(H2,14,16,17)(H2,21,22,23)/t4-,6-,7+,8+,12-/m1/s1
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n/an/an/an/a 722n/an/an/an/a



National Institutes of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Activation of human P2Y1 receptor expressed in human 1321N1 cells assessed as induction of calcium flux by FLIPR assay


J Med Chem 53: 2562-76 (2010)


Article DOI: 10.1021/jm9018542
BindingDB Entry DOI: 10.7270/Q20C4VVG
More data for this
Ligand-Target Pair