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Compile Data Set for Download or QSAR

Found 118 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
5'-nucleotidase


(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
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
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50271558
PNG
(CHEMBL4082045)
Show SMILES Cc1ccc2C(c3ccc(C)cc3C=Cc2c1)c1cn(Cc2ccc(o2)C(=O)Nc2nnn[nH]2)c(=O)[nH]c1=S |c:14|
Show InChI InChI=1S/C28H23N7O3S/c1-15-3-8-20-17(11-15)5-6-18-12-16(2)4-9-21(18)24(20)22-14-35(28(37)30-26(22)39)13-19-7-10-23(38-19)25(36)29-27-31-33-34-32-27/h3-12,14,24H,13H2,1-2H3,(H,30,37,39)(H2,29,31,32,33,34,36)
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n/an/a 57n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced intracellular calcium influx preincu...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111789
BindingDB Entry DOI: 10.7270/Q2CJ8J5F
More data for this
Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50558931
PNG
(CHEMBL4748101)
Show SMILES Cc1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)Oc1cccc(c1)[N+]([O-])=O
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n/an/a 1.33E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human GPR17 expressed in human 1321N1 cells assessed as inhibition of ATP-induced intracellular calcium influx preincubated fo...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111789
BindingDB Entry DOI: 10.7270/Q2CJ8J5F
More data for this
Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50558929
PNG
(CHEMBL4752357)
Show SMILES Cc1cccc(c1)C(=O)Nc1ccc(cc1)S(=O)(=O)Oc1cccc(c1)C#N
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n/an/a 1.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human GPR17 expressed in human 1321N1 cells assessed as inhibition of ATP-induced intracellular calcium influx preincubated fo...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111789
BindingDB Entry DOI: 10.7270/Q2CJ8J5F
More data for this
Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50558925
PNG
(CHEMBL4748522)
Show SMILES COc1cccc(c1)C(=O)Nc1ccc(cc1)S(=O)(=O)Oc1cccc(c1)[N+]([O-])=O
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n/an/a 1.65E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human GPR17 expressed in human 1321N1 cells assessed as inhibition of ATP-induced intracellular calcium influx preincubated fo...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111789
BindingDB Entry DOI: 10.7270/Q2CJ8J5F
More data for this
Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50558921
PNG
(CHEMBL4743510)
Show SMILES [O-][N+](=O)c1cccc(OS(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c1
PDB

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n/an/a 1.67E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human GPR17 expressed in human 1321N1 cells assessed as inhibition of ATP-induced intracellular calcium influx preincubated fo...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111789
BindingDB Entry DOI: 10.7270/Q2CJ8J5F
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(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
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50558932
PNG
(CHEMBL4780920)
Show SMILES Cc1cccc(c1)C(=O)Nc1ccc(cc1)S(=O)(=O)Oc1cccc(c1)[N+]([O-])=O
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n/an/a 1.92E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human GPR17 expressed in human 1321N1 cells assessed as inhibition of ATP-induced intracellular calcium influx preincubated fo...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111789
BindingDB Entry DOI: 10.7270/Q2CJ8J5F
More data for this
Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50558916
PNG
(CHEMBL4777444)
Show SMILES [O-][N+](=O)c1cccc(OS(=O)(=O)c2cccc(NC(=O)c3cccc(Cl)c3)c2)c1
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n/an/a 2.32E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human GPR17 expressed in human 1321N1 cells assessed as inhibition of ATP-induced intracellular calcium influx preincubated fo...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111789
BindingDB Entry DOI: 10.7270/Q2CJ8J5F
More data for this
Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50558923
PNG
(CHEMBL4743246)
Show SMILES [O-][N+](=O)c1cccc(OS(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1
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n/an/a 3.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human GPR17 expressed in human 1321N1 cells assessed as inhibition of ATP-induced intracellular calcium influx preincubated fo...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111789
BindingDB Entry DOI: 10.7270/Q2CJ8J5F
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50558923
PNG
(CHEMBL4743246)
Show SMILES [O-][N+](=O)c1cccc(OS(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1
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n/an/a 3.01E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced intracellular calcium influx preincu...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111789
BindingDB Entry DOI: 10.7270/Q2CJ8J5F
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(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
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50558915
PNG
(CHEMBL4750852)
Show SMILES [O-][N+](=O)c1cccc(OS(=O)(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)c1
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n/an/a 3.06E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human GPR17 expressed in human 1321N1 cells assessed as inhibition of ATP-induced intracellular calcium influx preincubated fo...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111789
BindingDB Entry DOI: 10.7270/Q2CJ8J5F
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50558922
PNG
(CHEMBL4753843)
Show SMILES [O-][N+](=O)c1cccc(OS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1
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n/an/a 3.17E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced intracellular calcium influx preincu...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111789
BindingDB Entry DOI: 10.7270/Q2CJ8J5F
More data for this
Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50558933
PNG
(CHEMBL4796857)
Show SMILES [O-][N+](=O)c1cccc(OS(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1
PDB

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n/an/a 3.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human GPR17 expressed in human 1321N1 cells assessed as inhibition of ATP-induced intracellular calcium influx preincubated fo...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111789
BindingDB Entry DOI: 10.7270/Q2CJ8J5F
More data for this
Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50558920
PNG
(CHEMBL4783980)
Show SMILES [O-][N+](=O)c1cccc(OS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)c1
PDB

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n/an/a 3.33E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human GPR17 expressed in human 1321N1 cells assessed as inhibition of ATP-induced intracellular calcium influx preincubated fo...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111789
BindingDB Entry DOI: 10.7270/Q2CJ8J5F
More data for this
Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50558922
PNG
(CHEMBL4753843)
Show SMILES [O-][N+](=O)c1cccc(OS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1
PDB

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n/an/a 3.37E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human GPR17 expressed in human 1321N1 cells assessed as inhibition of ATP-induced intracellular calcium influx preincubated fo...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111789
BindingDB Entry DOI: 10.7270/Q2CJ8J5F
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50558932
PNG
(CHEMBL4780920)
Show SMILES Cc1cccc(c1)C(=O)Nc1ccc(cc1)S(=O)(=O)Oc1cccc(c1)[N+]([O-])=O
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n/an/a 3.43E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced intracellular calcium influx preincu...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111789
BindingDB Entry DOI: 10.7270/Q2CJ8J5F
More data for this
Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50558917
PNG
(CHEMBL4797060)
Show SMILES [O-][N+](=O)c1cccc(OS(=O)(=O)c2cccc(NC(=O)c3cccc(F)c3)c2)c1
PDB

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n/an/a 3.61E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human GPR17 expressed in human 1321N1 cells assessed as inhibition of ATP-induced intracellular calcium influx preincubated fo...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111789
BindingDB Entry DOI: 10.7270/Q2CJ8J5F
More data for this
Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50558928
PNG
(CHEMBL4764999)
Show SMILES [O-][N+](=O)c1cccc(OS(=O)(=O)c2ccc(NC(=O)c3cccc(c3)C(F)(F)F)cc2)c1
PDB

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n/an/a 3.88E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human GPR17 expressed in human 1321N1 cells assessed as inhibition of ATP-induced intracellular calcium influx preincubated fo...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111789
BindingDB Entry DOI: 10.7270/Q2CJ8J5F
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(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
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50558903
PNG
(CHEMBL4799394)
Show SMILES COC(=O)c1cccc(NC(=O)Nc2cccc(NC(=O)c3cccc(C)c3)c2)c1
PDB

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n/an/a 4.07E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human GPR17 expressed in human 1321N1 cells assessed as inhibition of ATP-induced intracellular calcium influx preincubated fo...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111789
BindingDB Entry DOI: 10.7270/Q2CJ8J5F
More data for this
Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50558919
PNG
(CHEMBL4741242)
Show SMILES [O-][N+](=O)c1cccc(OS(=O)(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)c1
PDB

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n/an/a 4.18E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human GPR17 expressed in human 1321N1 cells assessed as inhibition of ATP-induced intracellular calcium influx preincubated fo...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111789
BindingDB Entry DOI: 10.7270/Q2CJ8J5F
More data for this
Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50558924
PNG
(CHEMBL4741688)
Show SMILES [O-][N+](=O)c1cccc(OS(=O)(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2)c1
PDB

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n/an/a 4.62E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human GPR17 expressed in human 1321N1 cells assessed as inhibition of ATP-induced intracellular calcium influx preincubated fo...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111789
BindingDB Entry DOI: 10.7270/Q2CJ8J5F
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(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
P2Y purinoceptor 2


(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
P2Y purinoceptor 2


(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
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50558924
PNG
(CHEMBL4741688)
Show SMILES [O-][N+](=O)c1cccc(OS(=O)(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2)c1
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n/an/a 5.55E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced intracellular calcium influx preincu...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111789
BindingDB Entry DOI: 10.7270/Q2CJ8J5F
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(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
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50558914
PNG
(CHEMBL4758186)
Show SMILES Cc1cccc(c1)C(=O)Nc1ccc(cc1)S(=O)(=O)NCc1cccc(Cl)c1
PDB

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n/an/a 5.75E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human GPR17 expressed in human 1321N1 cells assessed as inhibition of ATP-induced intracellular calcium influx preincubated fo...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111789
BindingDB Entry DOI: 10.7270/Q2CJ8J5F
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50558921
PNG
(CHEMBL4743510)
Show SMILES [O-][N+](=O)c1cccc(OS(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c1
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n/an/a 5.78E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced intracellular calcium influx preincu...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111789
BindingDB Entry DOI: 10.7270/Q2CJ8J5F
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(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
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50558918
PNG
(CHEMBL4756398)
Show SMILES Cc1cccc(c1)C(=O)Nc1cccc(c1)S(=O)(=O)Oc1cccc(c1)[N+]([O-])=O
PDB

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n/an/a 6.18E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human GPR17 expressed in human 1321N1 cells assessed as inhibition of ATP-induced intracellular calcium influx preincubated fo...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111789
BindingDB Entry DOI: 10.7270/Q2CJ8J5F
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Rattus norvegicus)
BDBM50558932
PNG
(CHEMBL4780920)
Show SMILES Cc1cccc(c1)C(=O)Nc1ccc(cc1)S(=O)(=O)Oc1cccc(c1)[N+]([O-])=O
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n/an/a 6.19E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at rat P2Y6 receptor expressed in human 1321N1 cells assessed as inhibition of UDP-induced intracellular calcium influx preincuba...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111789
BindingDB Entry DOI: 10.7270/Q2CJ8J5F
More data for this
Ligand-Target Pair
P2Y purinoceptor 2


(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
P2Y purinoceptor 2


(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
P2Y purinoceptor 2


(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
P2Y purinoceptor 2


(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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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
P2Y purinoceptor 2


(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
P2Y purinoceptor 2


(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
P2Y purinoceptor 2


(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
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50558904
PNG
(CHEMBL4751881)
Show SMILES Cc1cccc(NC(=O)c2ccc(NC(=O)c3ccc(cc3)[N+]([O-])=O)cc2)c1
PDB

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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human GPR17 expressed in human 1321N1 cells assessed as inhibition of ATP-induced intracellular calcium influx preincubated fo...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111789
BindingDB Entry DOI: 10.7270/Q2CJ8J5F
More data for this
Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50558905
PNG
(CHEMBL4750327)
Show SMILES Cc1cccc(NC(=O)c2ccc(NC(=O)c3cccc(c3)[N+]([O-])=O)cc2)c1
PDB

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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human GPR17 expressed in human 1321N1 cells assessed as inhibition of ATP-induced intracellular calcium influx preincubated fo...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111789
BindingDB Entry DOI: 10.7270/Q2CJ8J5F
More data for this
Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50558906
PNG
(CHEMBL4753686)
Show SMILES Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(cc3)[N+]([O-])=O)c2)c1
PDB

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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human GPR17 expressed in human 1321N1 cells assessed as inhibition of ATP-induced intracellular calcium influx preincubated fo...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111789
BindingDB Entry DOI: 10.7270/Q2CJ8J5F
More data for this
Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50558907
PNG
(CHEMBL4795664)
Show SMILES Cc1cccc(NC(=O)c2cccc(NC(=O)c3cccc(c3)[N+]([O-])=O)c2)c1
PDB

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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human GPR17 expressed in human 1321N1 cells assessed as inhibition of ATP-induced intracellular calcium influx preincubated fo...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111789
BindingDB Entry DOI: 10.7270/Q2CJ8J5F
More data for this
Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50558908
PNG
(CHEMBL4762760)
Show SMILES Cc1cccc(c1)C(=O)Nc1ccc(NC(=O)c2ccc(cc2)[N+]([O-])=O)cc1
PDB

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UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human GPR17 expressed in human 1321N1 cells assessed as inhibition of ATP-induced intracellular calcium influx preincubated fo...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111789
BindingDB Entry DOI: 10.7270/Q2CJ8J5F
More data for this
Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50558909
PNG
(CHEMBL4763683)
Show SMILES Cc1cccc(c1)C(=O)Nc1ccc(NC(=O)c2cccc(c2)[N+]([O-])=O)cc1
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human GPR17 expressed in human 1321N1 cells assessed as inhibition of ATP-induced intracellular calcium influx preincubated fo...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111789
BindingDB Entry DOI: 10.7270/Q2CJ8J5F
More data for this
Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50558910
PNG
(CHEMBL4742739)
Show SMILES Cc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2ccc(cc2)[N+]([O-])=O)c1
PDB

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UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human GPR17 expressed in human 1321N1 cells assessed as inhibition of ATP-induced intracellular calcium influx preincubated fo...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111789
BindingDB Entry DOI: 10.7270/Q2CJ8J5F
More data for this
Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50558911
PNG
(CHEMBL4763168)
Show SMILES Cc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2cccc(c2)[N+]([O-])=O)c1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human GPR17 expressed in human 1321N1 cells assessed as inhibition of ATP-induced intracellular calcium influx preincubated fo...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111789
BindingDB Entry DOI: 10.7270/Q2CJ8J5F
More data for this
Ligand-Target Pair
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