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Compile Data Set for Download or QSAR

Found 42 hits with Last Name = 'weyler' and Initial = 's'   
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
Ectonucleoside triphosphate diphosphohydrolase 1


(Rattus norvegicus)
BDBM50336767
PNG
(CHEMBL257495 | PSB-716 | sodium 1-amino-4-(2-metho...)
Show SMILES COc1ccccc1Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C21H16N2O6S/c1-29-15-9-5-4-8-13(15)23-14-10-16(30(26,27)28)19(22)18-17(14)20(24)11-6-2-3-7-12(11)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)/p-1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat NTPDase 1


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM50336767
PNG
(CHEMBL257495 | PSB-716 | sodium 1-amino-4-(2-metho...)
Show SMILES COc1ccccc1Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C21H16N2O6S/c1-29-15-9-5-4-8-13(15)23-14-10-16(30(26,27)28)19(22)18-17(14)20(24)11-6-2-3-7-12(11)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)/p-1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat ecto-5'-nucleotidase


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50029031
PNG
(1-Amino-4-{4-[4-chloro-6-(3-sulfo-phenylamino)-[1,...)
Show SMILES Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4cccc(c4)S([O-])(=O)=O)n3)c(c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-13-4-3-5-15(10-13)49(40,41)42)37-29(36-27)34-18-9-8-14(11-20(18)50(43,44)45)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-6-1-2-7-17(16)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37)/p-3
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n/an/a 1.85E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2Y2 receptor in 1321N1 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50336787
PNG
(CHEMBL445413 | sodium 1-amino-9,10-dioxo-4-(m-toly...)
Show SMILES Cc1cccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)c1
Show InChI InChI=1S/C21H16N2O5S/c1-11-5-4-6-12(9-11)23-15-10-16(29(26,27)28)19(22)18-17(15)20(24)13-7-2-3-8-14(13)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)/p-1
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n/an/a 3.04E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2Y2 receptor in 1321N1 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50227016
PNG
(CHEMBL401859 | Sodium 1-amino-4-(4-anilinophenylam...)
Show SMILES Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2ccc(Nc3ccccc3)cc2)cc1S([O-])(=O)=O
Show InChI InChI=1S/C26H19N3O5S/c27-24-21(35(32,33)34)14-20(22-23(24)26(31)19-9-5-4-8-18(19)25(22)30)29-17-12-10-16(11-13-17)28-15-6-2-1-3-7-15/h1-14,28-29H,27H2,(H,32,33,34)/p-1
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n/an/a 3.93E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2Y2 receptor in 1321N1 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Mus musculus)
BDBM50029031
PNG
(1-Amino-4-{4-[4-chloro-6-(3-sulfo-phenylamino)-[1,...)
Show SMILES Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4cccc(c4)S([O-])(=O)=O)n3)c(c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-13-4-3-5-15(10-13)49(40,41)42)37-29(36-27)34-18-9-8-14(11-20(18)50(43,44)45)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-6-1-2-7-17(16)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37)/p-3
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2Y2 receptor in mouse NG108-15 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50227019
PNG
(CHEMBL271673 | sodium 1-amino-4-(4-chlorophenylami...)
Show SMILES Nc1c(cc(Nc2ccc(Cl)cc2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C20H13ClN2O5S/c21-10-5-7-11(8-6-10)23-14-9-15(29(26,27)28)18(22)17-16(14)19(24)12-3-1-2-4-13(12)20(17)25/h1-9,23H,22H2,(H,26,27,28)/p-1
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n/an/a 5.31E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2Y2 receptor in 1321N1 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50336792
PNG
(CHEMBL256688 | sodium 1-amino-4-(2,4-dimethylpheny...)
Show SMILES Cc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)c(C)c1
Show InChI InChI=1S/C22H18N2O5S/c1-11-7-8-15(12(2)9-11)24-16-10-17(30(27,28)29)20(23)19-18(16)21(25)13-5-3-4-6-14(13)22(19)26/h3-10,24H,23H2,1-2H3,(H,27,28,29)/p-1
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n/an/a 5.43E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2Y2 receptor in 1321N1 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50227032
PNG
(CHEMBL256057 | acid blue 25 | sodium 1-amino-9,10-...)
Show SMILES Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2ccccc2)cc1S([O-])(=O)=O
Show InChI InChI=1S/C20H14N2O5S/c21-18-15(28(25,26)27)10-14(22-11-6-2-1-3-7-11)16-17(18)20(24)13-9-5-4-8-12(13)19(16)23/h1-10,22H,21H2,(H,25,26,27)/p-1
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n/an/a 5.61E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2Y2 receptor in 1321N1 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50227015
PNG
(CHEMBL271688 | Sodium 1-amino-4-(4-acetylaminophen...)
Show SMILES CC(=O)Nc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)cc1
Show InChI InChI=1S/C22H17N3O6S/c1-11(26)24-12-6-8-13(9-7-12)25-16-10-17(32(29,30)31)20(23)19-18(16)21(27)14-4-2-3-5-15(14)22(19)28/h2-10,25H,23H2,1H3,(H,24,26)(H,29,30,31)/p-1
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n/an/a 5.81E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2Y2 receptor in 1321N1 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50227018
PNG
(CHEMBL404659 | Sodium 1-amino-4-(3-nitrophenylamin...)
Show SMILES Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2cccc(c2)[N+]([O-])=O)cc1S([O-])(=O)=O
Show InChI InChI=1S/C20H13N3O7S/c21-18-15(31(28,29)30)9-14(22-10-4-3-5-11(8-10)23(26)27)16-17(18)20(25)13-7-2-1-6-12(13)19(16)24/h1-9,22H,21H2,(H,28,29,30)/p-1
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n/an/a 7.52E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2Y2 receptor in 1321N1 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50336791
PNG
(CHEMBL402239 | sodium 1-amino-4-(2,3-dimethylpheny...)
Show SMILES Cc1cccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)c1C
Show InChI InChI=1S/C22H18N2O5S/c1-11-6-5-9-15(12(11)2)24-16-10-17(30(27,28)29)20(23)19-18(16)21(25)13-7-3-4-8-14(13)22(19)26/h3-10,24H,23H2,1-2H3,(H,27,28,29)/p-1
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n/an/a 7.95E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2Y2 receptor in 1321N1 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Mus musculus)
BDBM50336767
PNG
(CHEMBL257495 | PSB-716 | sodium 1-amino-4-(2-metho...)
Show SMILES COc1ccccc1Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C21H16N2O6S/c1-29-15-9-5-4-8-13(15)23-14-10-16(30(26,27)28)19(22)18-17(14)20(24)11-6-2-3-7-12(11)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)/p-1
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n/an/a 9.00E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2Y2 receptor in mouse NG108-15 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Mus musculus)
BDBM50371701
PNG
(CHEMBL271881)
Show SMILES CCOc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)cc1
Show InChI InChI=1S/C22H18N2O6S/c1-2-30-13-9-7-12(8-10-13)24-16-11-17(31(27,28)29)20(23)19-18(16)21(25)14-5-3-4-6-15(14)22(19)26/h3-11,24H,2,23H2,1H3,(H,27,28,29)/p-1
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n/an/a 9.00E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2Y2 receptor in mouse NG108-15 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Mus musculus)
BDBM50336792
PNG
(CHEMBL256688 | sodium 1-amino-4-(2,4-dimethylpheny...)
Show SMILES Cc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)c(C)c1
Show InChI InChI=1S/C22H18N2O5S/c1-11-7-8-15(12(2)9-11)24-16-10-17(30(27,28)29)20(23)19-18(16)21(25)13-5-3-4-6-14(13)22(19)26/h3-10,24H,23H2,1-2H3,(H,27,28,29)/p-1
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University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2Y2 receptor in mouse NG108-15 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50371702
PNG
(CHEMBL402238)
Show SMILES CCc1ccccc1Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C22H18N2O5S/c1-2-12-7-3-6-10-15(12)24-16-11-17(30(27,28)29)20(23)19-18(16)21(25)13-8-4-5-9-14(13)22(19)26/h3-11,24H,2,23H2,1H3,(H,27,28,29)/p-1
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n/an/a 9.26E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2Y2 receptor in 1321N1 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50336767
PNG
(CHEMBL257495 | PSB-716 | sodium 1-amino-4-(2-metho...)
Show SMILES COc1ccccc1Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C21H16N2O6S/c1-29-15-9-5-4-8-13(15)23-14-10-16(30(26,27)28)19(22)18-17(14)20(24)11-6-2-3-7-12(11)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)/p-1
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n/an/a 9.82E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2Y2 receptor in 1321N1 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Mus musculus)
BDBM50336786
PNG
(CHEMBL256864 | sodium 1-amino-9,10-dioxo-4-(o-toly...)
Show SMILES Cc1ccccc1Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C21H16N2O5S/c1-11-6-2-5-9-14(11)23-15-10-16(29(26,27)28)19(22)18-17(15)20(24)12-7-3-4-8-13(12)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)/p-1
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2Y2 receptor in mouse NG108-15 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Mus musculus)
BDBM50227032
PNG
(CHEMBL256057 | acid blue 25 | sodium 1-amino-9,10-...)
Show SMILES Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2ccccc2)cc1S([O-])(=O)=O
Show InChI InChI=1S/C20H14N2O5S/c21-18-15(28(25,26)27)10-14(22-11-6-2-1-3-7-11)16-17(18)20(24)13-9-5-4-8-12(13)19(16)23/h1-10,22H,21H2,(H,25,26,27)/p-1
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n/an/a 1.11E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2Y2 receptor in mouse NG108-15 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50227023
PNG
(1-amino-4-(4-methoxyphenyl)-2-sulfoanthraquinone |...)
Show SMILES COc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)cc1
Show InChI InChI=1S/C21H16N2O6S/c1-29-12-8-6-11(7-9-12)23-15-10-16(30(26,27)28)19(22)18-17(15)20(24)13-4-2-3-5-14(13)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)/p-1
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n/an/a 1.15E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2Y2 receptor in 1321N1 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50371701
PNG
(CHEMBL271881)
Show SMILES CCOc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)cc1
Show InChI InChI=1S/C22H18N2O6S/c1-2-30-13-9-7-12(8-10-13)24-16-11-17(31(27,28)29)20(23)19-18(16)21(25)14-5-3-4-6-15(14)22(19)26/h3-11,24H,2,23H2,1H3,(H,27,28,29)/p-1
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n/an/a 1.15E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2Y2 receptor in 1321N1 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Mus musculus)
BDBM50227015
PNG
(CHEMBL271688 | Sodium 1-amino-4-(4-acetylaminophen...)
Show SMILES CC(=O)Nc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)cc1
Show InChI InChI=1S/C22H17N3O6S/c1-11(26)24-12-6-8-13(9-7-12)25-16-10-17(32(29,30)31)20(23)19-18(16)21(27)14-4-2-3-5-15(14)22(19)28/h2-10,25H,23H2,1H3,(H,24,26)(H,29,30,31)/p-1
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University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2Y2 receptor in mouse NG108-15 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Mus musculus)
BDBM50336791
PNG
(CHEMBL402239 | sodium 1-amino-4-(2,3-dimethylpheny...)
Show SMILES Cc1cccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)c1C
Show InChI InChI=1S/C22H18N2O5S/c1-11-6-5-9-15(12(11)2)24-16-10-17(30(27,28)29)20(23)19-18(16)21(25)13-7-3-4-8-14(13)22(19)26/h3-10,24H,23H2,1-2H3,(H,27,28,29)/p-1
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n/an/a 1.40E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2Y2 receptor in mouse NG108-15 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50336769
PNG
(CHEMBL403051 | sodium 1-amino-4-(2-ethoxyphenylami...)
Show SMILES CCOc1ccccc1Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C22H18N2O6S/c1-2-30-16-10-6-5-9-14(16)24-15-11-17(31(27,28)29)20(23)19-18(15)21(25)12-7-3-4-8-13(12)22(19)26/h3-11,24H,2,23H2,1H3,(H,27,28,29)/p-1
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n/an/a 1.50E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2Y2 receptor in 1321N1 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50336786
PNG
(CHEMBL256864 | sodium 1-amino-9,10-dioxo-4-(o-toly...)
Show SMILES Cc1ccccc1Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C21H16N2O5S/c1-11-6-2-5-9-14(11)23-15-10-16(29(26,27)28)19(22)18-17(15)20(24)12-7-3-4-8-13(12)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)/p-1
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n/an/a 1.62E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2Y2 receptor in 1321N1 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Mus musculus)
BDBM50336769
PNG
(CHEMBL403051 | sodium 1-amino-4-(2-ethoxyphenylami...)
Show SMILES CCOc1ccccc1Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C22H18N2O6S/c1-2-30-16-10-6-5-9-14(16)24-15-11-17(31(27,28)29)20(23)19-18(15)21(25)12-7-3-4-8-13(12)22(19)26/h3-11,24H,2,23H2,1H3,(H,27,28,29)/p-1
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n/an/a 1.70E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2Y2 receptor in mouse NG108-15 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Mus musculus)
BDBM50371703
PNG
(CHEMBL256689)
Show SMILES Cc1ccc(C)c(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)c1
Show InChI InChI=1S/C22H18N2O5S/c1-11-7-8-12(2)15(9-11)24-16-10-17(30(27,28)29)20(23)19-18(16)21(25)13-5-3-4-6-14(13)22(19)26/h3-10,24H,23H2,1-2H3,(H,27,28,29)/p-1
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University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2Y2 receptor in mouse NG108-15 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Mus musculus)
BDBM50227023
PNG
(1-amino-4-(4-methoxyphenyl)-2-sulfoanthraquinone |...)
Show SMILES COc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)cc1
Show InChI InChI=1S/C21H16N2O6S/c1-29-12-8-6-11(7-9-12)23-15-10-16(30(26,27)28)19(22)18-17(15)20(24)13-4-2-3-5-14(13)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)/p-1
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n/an/a 1.70E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2Y2 receptor in mouse NG108-15 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Mus musculus)
BDBM50227019
PNG
(CHEMBL271673 | sodium 1-amino-4-(4-chlorophenylami...)
Show SMILES Nc1c(cc(Nc2ccc(Cl)cc2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C20H13ClN2O5S/c21-10-5-7-11(8-6-10)23-14-9-15(29(26,27)28)18(22)17-16(14)19(24)12-3-1-2-4-13(12)20(17)25/h1-9,23H,22H2,(H,26,27,28)/p-1
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2Y2 receptor in mouse NG108-15 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Mus musculus)
BDBM50336787
PNG
(CHEMBL445413 | sodium 1-amino-9,10-dioxo-4-(m-toly...)
Show SMILES Cc1cccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)c1
Show InChI InChI=1S/C21H16N2O5S/c1-11-5-4-6-12(9-11)23-15-10-16(29(26,27)28)19(22)18-17(15)20(24)13-7-2-3-8-14(13)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)/p-1
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n/an/a 2.20E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2Y2 receptor in mouse NG108-15 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Mus musculus)
BDBM50371702
PNG
(CHEMBL402238)
Show SMILES CCc1ccccc1Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C22H18N2O5S/c1-2-12-7-3-6-10-15(12)24-16-11-17(30(27,28)29)20(23)19-18(16)21(25)13-8-4-5-9-14(13)22(19)26/h3-11,24H,2,23H2,1H3,(H,27,28,29)/p-1
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n/an/a 2.40E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2Y2 receptor in mouse NG108-15 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50336788
PNG
(CHEMBL404450 | sodium 1-amino-9,10-dioxo-4-(p-toly...)
Show SMILES Cc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)cc1
Show InChI InChI=1S/C21H16N2O5S/c1-11-6-8-12(9-7-11)23-15-10-16(29(26,27)28)19(22)18-17(15)20(24)13-4-2-3-5-14(13)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)/p-1
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n/an/a 2.49E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2Y2 receptor in 1321N1 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Mus musculus)
BDBM50336788
PNG
(CHEMBL404450 | sodium 1-amino-9,10-dioxo-4-(p-toly...)
Show SMILES Cc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)cc1
Show InChI InChI=1S/C21H16N2O5S/c1-11-6-8-12(9-7-11)23-15-10-16(29(26,27)28)19(22)18-17(15)20(24)13-4-2-3-5-14(13)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)/p-1
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n/an/a 2.70E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2Y2 receptor in mouse NG108-15 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Mus musculus)
BDBM50227016
PNG
(CHEMBL401859 | Sodium 1-amino-4-(4-anilinophenylam...)
Show SMILES Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2ccc(Nc3ccccc3)cc2)cc1S([O-])(=O)=O
Show InChI InChI=1S/C26H19N3O5S/c27-24-21(35(32,33)34)14-20(22-23(24)26(31)19-9-5-4-8-18(19)25(22)30)29-17-12-10-16(11-13-17)28-15-6-2-1-3-7-15/h1-14,28-29H,27H2,(H,32,33,34)/p-1
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n/an/a 3.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2Y2 receptor in mouse NG108-15 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50227020
PNG
(CHEMBL271672 | sodium 1-amino-4-(3-chlorophenylami...)
Show SMILES Nc1c(cc(Nc2cccc(Cl)c2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C20H13ClN2O5S/c21-10-4-3-5-11(8-10)23-14-9-15(29(26,27)28)18(22)17-16(14)19(24)12-6-1-2-7-13(12)20(17)25/h1-9,23H,22H2,(H,26,27,28)/p-1
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2Y2 receptor in 1321N1 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50371703
PNG
(CHEMBL256689)
Show SMILES Cc1ccc(C)c(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)c1
Show InChI InChI=1S/C22H18N2O5S/c1-11-7-8-12(2)15(9-11)24-16-10-17(30(27,28)29)20(23)19-18(16)21(25)13-5-3-4-6-14(13)22(19)26/h3-10,24H,23H2,1-2H3,(H,27,28,29)/p-1
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n/an/a 3.03E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2Y2 receptor in 1321N1 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y4


(Homo sapiens (Human))
BDBM50336767
PNG
(CHEMBL257495 | PSB-716 | sodium 1-amino-4-(2-metho...)
Show SMILES COc1ccccc1Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C21H16N2O6S/c1-29-15-9-5-4-8-13(15)23-14-10-16(30(26,27)28)19(22)18-17(14)20(24)11-6-2-3-7-12(11)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)/p-1
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n/an/a 5.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y4 receptor


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Mus musculus)
BDBM50227020
PNG
(CHEMBL271672 | sodium 1-amino-4-(3-chlorophenylami...)
Show SMILES Nc1c(cc(Nc2cccc(Cl)c2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C20H13ClN2O5S/c21-10-4-3-5-11(8-10)23-14-9-15(29(26,27)28)18(22)17-16(14)19(24)12-6-1-2-7-13(12)20(17)25/h1-9,23H,22H2,(H,26,27,28)/p-1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2Y2 receptor in mouse NG108-15 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Mus musculus)
BDBM50227018
PNG
(CHEMBL404659 | Sodium 1-amino-4-(3-nitrophenylamin...)
Show SMILES Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2cccc(c2)[N+]([O-])=O)cc1S([O-])(=O)=O
Show InChI InChI=1S/C20H13N3O7S/c21-18-15(31(28,29)30)9-14(22-10-4-3-5-11(8-10)23(26)27)16-17(18)20(25)13-7-2-1-6-12(13)19(16)24/h1-9,22H,21H2,(H,28,29,30)/p-1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2Y2 receptor in mouse NG108-15 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Mus musculus)
BDBM50371700
PNG
(CHEMBL271689)
Show SMILES CC(=O)c1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)cc1
Show InChI InChI=1S/C22H16N2O6S/c1-11(25)12-6-8-13(9-7-12)24-16-10-17(31(28,29)30)20(23)19-18(16)21(26)14-4-2-3-5-15(14)22(19)27/h2-10,24H,23H2,1H3,(H,28,29,30)/p-1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2Y2 receptor in mouse NG108-15 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y6


(Rattus norvegicus)
BDBM50336767
PNG
(CHEMBL257495 | PSB-716 | sodium 1-amino-4-(2-metho...)
Show SMILES COc1ccccc1Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C21H16N2O6S/c1-29-15-9-5-4-8-13(15)23-14-10-16(30(26,27)28)19(22)18-17(14)20(24)11-6-2-3-7-12(11)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)/p-1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2Y6 receptor


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Mus musculus)
BDBM50371704
PNG
(CHEMBL270415)
Show SMILES Nc1c2C(=O)c3ccccc3C(=O)c2c(Br)cc1S([O-])(=O)=O
Show InChI InChI=1S/C14H8BrNO5S/c15-8-5-9(22(19,20)21)12(16)11-10(8)13(17)6-3-1-2-4-7(6)14(11)18/h1-5H,16H2,(H,19,20,21)/p-1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2Y2 receptor in mouse NG108-15 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
BindingDB Entry DOI: 10.7270/Q2RX9CXT
More data for this
Ligand-Target Pair