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Compile Data Set for Download or QSAR

Found 34 hits Enz. Inhib. hit(s) with all data for entry = 50041805   
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
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50415889
PNG
(CHEMBL1098723)
Show SMILES Cc1nn(c(C)c1CC(=O)NCc1ccc(F)cc1Cl)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C21H20ClFN4O2/c1-12-18(10-20(28)25-11-15-3-6-16(23)9-19(15)22)13(2)27(26-12)17-7-4-14(5-8-17)21(24)29/h3-9H,10-11H2,1-2H3,(H2,24,29)(H,25,28)
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation


Bioorg Med Chem Lett 20: 3161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.096
BindingDB Entry DOI: 10.7270/Q2W66N1B
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50415882
PNG
(CHEMBL1094106)
Show SMILES Cc1n[nH]c(C)c1CC(=O)NCc1ccc(F)cc1Cl
Show InChI InChI=1S/C14H15ClFN3O/c1-8-12(9(2)19-18-8)6-14(20)17-7-10-3-4-11(16)5-13(10)15/h3-5H,6-7H2,1-2H3,(H,17,20)(H,18,19)
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n/an/a 19.9n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation


Bioorg Med Chem Lett 20: 3161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.096
BindingDB Entry DOI: 10.7270/Q2W66N1B
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50415908
PNG
(CHEMBL1094641)
Show SMILES Cc1nn(c(C)c1CC(=O)NCc1cccc(Cl)c1Cl)-c1ccccc1
Show InChI InChI=1S/C20H19Cl2N3O/c1-13-17(14(2)25(24-13)16-8-4-3-5-9-16)11-19(26)23-12-15-7-6-10-18(21)20(15)22/h3-10H,11-12H2,1-2H3,(H,23,26)
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n/an/a 25.1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation


Bioorg Med Chem Lett 20: 3161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.096
BindingDB Entry DOI: 10.7270/Q2W66N1B
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50415883
PNG
(CHEMBL1095454)
Show SMILES Cc1nn(c(C)c1CC(=O)NCc1ccc(F)cc1Cl)-c1ccccc1
Show InChI InChI=1S/C20H19ClFN3O/c1-13-18(14(2)25(24-13)17-6-4-3-5-7-17)11-20(26)23-12-15-8-9-16(22)10-19(15)21/h3-10H,11-12H2,1-2H3,(H,23,26)
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n/an/a 39.8n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation


Bioorg Med Chem Lett 20: 3161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.096
BindingDB Entry DOI: 10.7270/Q2W66N1B
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50415892
PNG
(CHEMBL1094411)
Show SMILES Cc1nc(-c2ccccc2)n(C)c1CC(=O)NCc1ccc(F)cc1Cl
Show InChI InChI=1S/C20H19ClFN3O/c1-13-18(25(2)20(24-13)14-6-4-3-5-7-14)11-19(26)23-12-15-8-9-16(22)10-17(15)21/h3-10H,11-12H2,1-2H3,(H,23,26)
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n/an/a 50.1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation


Bioorg Med Chem Lett 20: 3161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.096
BindingDB Entry DOI: 10.7270/Q2W66N1B
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50415888
PNG
(CHEMBL1096314)
Show SMILES Cc1nn(c(C)c1CC(=O)NCc1ccc(F)cc1Cl)-c1ncccn1
Show InChI InChI=1S/C18H17ClFN5O/c1-11-15(12(2)25(24-11)18-21-6-3-7-22-18)9-17(26)23-10-13-4-5-14(20)8-16(13)19/h3-8H,9-10H2,1-2H3,(H,23,26)
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n/an/a 50.1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation


Bioorg Med Chem Lett 20: 3161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.096
BindingDB Entry DOI: 10.7270/Q2W66N1B
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50415891
PNG
(CHEMBL1094744)
Show SMILES Cc1nn(c(C)c1CC(=O)NCc1ccc(F)cc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H18Cl2FN3O/c1-12-18(13(2)26(25-12)17-7-4-15(21)5-8-17)10-20(27)24-11-14-3-6-16(23)9-19(14)22/h3-9H,10-11H2,1-2H3,(H,24,27)
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n/an/a 63.1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation


Bioorg Med Chem Lett 20: 3161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.096
BindingDB Entry DOI: 10.7270/Q2W66N1B
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50415909
PNG
(CHEMBL1094482)
Show SMILES Cc1nn(c(C)c1CC(=O)NCc1ccc(Cl)cc1Cl)-c1ccccc1
Show InChI InChI=1S/C20H19Cl2N3O/c1-13-18(14(2)25(24-13)17-6-4-3-5-7-17)11-20(26)23-12-15-8-9-16(21)10-19(15)22/h3-10H,11-12H2,1-2H3,(H,23,26)
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n/an/a 79.4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation


Bioorg Med Chem Lett 20: 3161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.096
BindingDB Entry DOI: 10.7270/Q2W66N1B
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM50415883
PNG
(CHEMBL1095454)
Show SMILES Cc1nn(c(C)c1CC(=O)NCc1ccc(F)cc1Cl)-c1ccccc1
Show InChI InChI=1S/C20H19ClFN3O/c1-13-18(14(2)25(24-13)17-6-4-3-5-7-17)11-20(26)23-12-15-8-9-16(22)10-19(15)21/h3-10H,11-12H2,1-2H3,(H,23,26)
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n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of rat P2X7 receptor assessed as inhibition of ethidium bromide accumulation


Bioorg Med Chem Lett 20: 3161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.096
BindingDB Entry DOI: 10.7270/Q2W66N1B
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50415890
PNG
(CHEMBL1098722)
Show SMILES COc1ccc(cc1)-n1nc(C)c(CC(=O)NCc2ccc(F)cc2Cl)c1C
Show InChI InChI=1S/C21H21ClFN3O2/c1-13-19(11-21(27)24-12-15-4-5-16(23)10-20(15)22)14(2)26(25-13)17-6-8-18(28-3)9-7-17/h4-10H,11-12H2,1-3H3,(H,24,27)
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n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation


Bioorg Med Chem Lett 20: 3161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.096
BindingDB Entry DOI: 10.7270/Q2W66N1B
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50415906
PNG
(CHEMBL1096096)
Show SMILES Cc1nn(c(C)c1CC(=O)NC(C)(C)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H25N3O/c1-16-20(17(2)25(24-16)19-13-9-6-10-14-19)15-21(26)23-22(3,4)18-11-7-5-8-12-18/h5-14H,15H2,1-4H3,(H,23,26)
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n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation


Bioorg Med Chem Lett 20: 3161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.096
BindingDB Entry DOI: 10.7270/Q2W66N1B
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50415886
PNG
(CHEMBL1096047)
Show SMILES Cc1nn(Cc2cccnc2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
Show InChI InChI=1S/C20H20ClFN4O/c1-13-18(14(2)26(25-13)12-15-4-3-7-23-10-15)9-20(27)24-11-16-5-6-17(22)8-19(16)21/h3-8,10H,9,11-12H2,1-2H3,(H,24,27)
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n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation


Bioorg Med Chem Lett 20: 3161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.096
BindingDB Entry DOI: 10.7270/Q2W66N1B
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM50415882
PNG
(CHEMBL1094106)
Show SMILES Cc1n[nH]c(C)c1CC(=O)NCc1ccc(F)cc1Cl
Show InChI InChI=1S/C14H15ClFN3O/c1-8-12(9(2)19-18-8)6-14(20)17-7-10-3-4-11(16)5-13(10)15/h3-5H,6-7H2,1-2H3,(H,17,20)(H,18,19)
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n/an/a 158n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of rat P2X7 receptor assessed as inhibition of ethidium bromide accumulation


Bioorg Med Chem Lett 20: 3161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.096
BindingDB Entry DOI: 10.7270/Q2W66N1B
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50415884
PNG
(CHEMBL1096049)
Show SMILES Cc1nn(C)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
Show InChI InChI=1S/C15H17ClFN3O/c1-9-13(10(2)20(3)19-9)7-15(21)18-8-11-4-5-12(17)6-14(11)16/h4-6H,7-8H2,1-3H3,(H,18,21)
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n/an/a 158n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation


Bioorg Med Chem Lett 20: 3161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.096
BindingDB Entry DOI: 10.7270/Q2W66N1B
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50415898
PNG
(CHEMBL1096100)
Show SMILES Cc1nn(cc1CC(=O)NCc1ccc(F)cc1Cl)-c1ccccc1
Show InChI InChI=1S/C19H17ClFN3O/c1-13-15(12-24(23-13)17-5-3-2-4-6-17)9-19(25)22-11-14-7-8-16(21)10-18(14)20/h2-8,10,12H,9,11H2,1H3,(H,22,25)
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n/an/a 158n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation


Bioorg Med Chem Lett 20: 3161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.096
BindingDB Entry DOI: 10.7270/Q2W66N1B
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50415905
PNG
(CHEMBL1096097)
Show SMILES Cc1nn(c(C)c1CC(=O)NC1CCCCCC1)-c1ccccc1
Show InChI InChI=1S/C20H27N3O/c1-15-19(14-20(24)21-17-10-6-3-4-7-11-17)16(2)23(22-15)18-12-8-5-9-13-18/h5,8-9,12-13,17H,3-4,6-7,10-11,14H2,1-2H3,(H,21,24)
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n/an/a 158n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation


Bioorg Med Chem Lett 20: 3161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.096
BindingDB Entry DOI: 10.7270/Q2W66N1B
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50415897
PNG
(CHEMBL1096029)
Show SMILES Cc1c(CC(=O)NCc2ccc(F)cc2Cl)cnn1-c1ccccc1
Show InChI InChI=1S/C19H17ClFN3O/c1-13-15(12-23-24(13)17-5-3-2-4-6-17)9-19(25)22-11-14-7-8-16(21)10-18(14)20/h2-8,10,12H,9,11H2,1H3,(H,22,25)
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n/an/a 158n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation


Bioorg Med Chem Lett 20: 3161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.096
BindingDB Entry DOI: 10.7270/Q2W66N1B
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50415913
PNG
(CHEMBL1096048)
Show SMILES Cc1nn(CCO)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
Show InChI InChI=1S/C16H19ClFN3O2/c1-10-14(11(2)21(20-10)5-6-22)8-16(23)19-9-12-3-4-13(18)7-15(12)17/h3-4,7,22H,5-6,8-9H2,1-2H3,(H,19,23)
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n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation


Bioorg Med Chem Lett 20: 3161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.096
BindingDB Entry DOI: 10.7270/Q2W66N1B
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50415900
PNG
(CHEMBL1095783)
Show SMILES Cc1nn(c(C)c1NC(=O)NCc1ccc(F)cc1Cl)-c1ccccc1
Show InChI InChI=1S/C19H18ClFN4O/c1-12-18(13(2)25(24-12)16-6-4-3-5-7-16)23-19(26)22-11-14-8-9-15(21)10-17(14)20/h3-10H,11H2,1-2H3,(H2,22,23,26)
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n/an/a 251n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation


Bioorg Med Chem Lett 20: 3161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.096
BindingDB Entry DOI: 10.7270/Q2W66N1B
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50415887
PNG
(CHEMBL1095731)
Show SMILES Cc1nn(Cc2ccccc2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
Show InChI InChI=1S/C21H21ClFN3O/c1-14-19(15(2)26(25-14)13-16-6-4-3-5-7-16)11-21(27)24-12-17-8-9-18(23)10-20(17)22/h3-10H,11-13H2,1-2H3,(H,24,27)
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n/an/a 316n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation


Bioorg Med Chem Lett 20: 3161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.096
BindingDB Entry DOI: 10.7270/Q2W66N1B
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50415885
PNG
(CHEMBL1096660)
Show SMILES CN(C)CCn1nc(C)c(CC(=O)NCc2ccc(F)cc2Cl)c1C
Show InChI InChI=1S/C18H24ClFN4O/c1-12-16(13(2)24(22-12)8-7-23(3)4)10-18(25)21-11-14-5-6-15(20)9-17(14)19/h5-6,9H,7-8,10-11H2,1-4H3,(H,21,25)
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n/an/a 316n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation


Bioorg Med Chem Lett 20: 3161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.096
BindingDB Entry DOI: 10.7270/Q2W66N1B
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50415907
PNG
(CHEMBL1094984)
Show SMILES Cc1nn(c(C)c1CC(=O)NCc1cc(Cl)cc(Cl)c1)-c1ccccc1
Show InChI InChI=1S/C20H19Cl2N3O/c1-13-19(14(2)25(24-13)18-6-4-3-5-7-18)11-20(26)23-12-15-8-16(21)10-17(22)9-15/h3-10H,11-12H2,1-2H3,(H,23,26)
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n/an/a>631n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation


Bioorg Med Chem Lett 20: 3161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.096
BindingDB Entry DOI: 10.7270/Q2W66N1B
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50415903
PNG
(CHEMBL1094485)
Show SMILES CN(Cc1ccc(F)cc1Cl)C(=O)Cc1c(C)nn(c1C)-c1ccccc1
Show InChI InChI=1S/C21H21ClFN3O/c1-14-19(15(2)26(24-14)18-7-5-4-6-8-18)12-21(27)25(3)13-16-9-10-17(23)11-20(16)22/h4-11H,12-13H2,1-3H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation


Bioorg Med Chem Lett 20: 3161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.096
BindingDB Entry DOI: 10.7270/Q2W66N1B
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50415904
PNG
(CHEMBL1096098)
Show SMILES Cc1nn(c(C)c1CC(=O)NCc1ncccc1C)-c1ccccc1
Show InChI InChI=1S/C20H22N4O/c1-14-8-7-11-21-19(14)13-22-20(25)12-18-15(2)23-24(16(18)3)17-9-5-4-6-10-17/h4-11H,12-13H2,1-3H3,(H,22,25)
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n/an/a>1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation


Bioorg Med Chem Lett 20: 3161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.096
BindingDB Entry DOI: 10.7270/Q2W66N1B
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50415896
PNG
(CHEMBL1096030)
Show SMILES Oc1cn(CC(=O)NCc2ccc(F)cc2Cl)c(=O)n1-c1ccccc1
Show InChI InChI=1S/C18H15ClFN3O3/c19-15-8-13(20)7-6-12(15)9-21-16(24)10-22-11-17(25)23(18(22)26)14-4-2-1-3-5-14/h1-8,11,25H,9-10H2,(H,21,24)
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n/an/a>1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation


Bioorg Med Chem Lett 20: 3161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.096
BindingDB Entry DOI: 10.7270/Q2W66N1B
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50415902
PNG
(CHEMBL1095781)
Show SMILES Cc1nn(c(C)c1C(=O)NCc1ccc(F)cc1Cl)-c1ccccc1
Show InChI InChI=1S/C19H17ClFN3O/c1-12-18(13(2)24(23-12)16-6-4-3-5-7-16)19(25)22-11-14-8-9-15(21)10-17(14)20/h3-10H,11H2,1-2H3,(H,22,25)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation


Bioorg Med Chem Lett 20: 3161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.096
BindingDB Entry DOI: 10.7270/Q2W66N1B
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50415895
PNG
(CHEMBL1096031)
Show SMILES Cc1oc(nc1CC(=O)NCc1ccc(F)cc1Cl)-c1ccccc1
Show InChI InChI=1S/C19H16ClFN2O2/c1-12-17(23-19(25-12)13-5-3-2-4-6-13)10-18(24)22-11-14-7-8-15(21)9-16(14)20/h2-9H,10-11H2,1H3,(H,22,24)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation


Bioorg Med Chem Lett 20: 3161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.096
BindingDB Entry DOI: 10.7270/Q2W66N1B
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50415901
PNG
(CHEMBL1095782)
Show SMILES Cc1nn(c(C)c1CNC(=O)Cc1ccc(F)cc1Cl)-c1ccccc1
Show InChI InChI=1S/C20H19ClFN3O/c1-13-18(14(2)25(24-13)17-6-4-3-5-7-17)12-23-20(26)10-15-8-9-16(22)11-19(15)21/h3-9,11H,10,12H2,1-2H3,(H,23,26)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation


Bioorg Med Chem Lett 20: 3161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.096
BindingDB Entry DOI: 10.7270/Q2W66N1B
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50415894
PNG
(CHEMBL1095080)
Show SMILES Cc1sc(nc1CC(=O)NCc1ccc(F)cc1Cl)-c1ccccc1
Show InChI InChI=1S/C19H16ClFN2OS/c1-12-17(23-19(25-12)13-5-3-2-4-6-13)10-18(24)22-11-14-7-8-15(21)9-16(14)20/h2-9H,10-11H2,1H3,(H,22,24)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation


Bioorg Med Chem Lett 20: 3161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.096
BindingDB Entry DOI: 10.7270/Q2W66N1B
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50415910
PNG
(CHEMBL1094481)
Show SMILES COc1ccccc1CNC(=O)Cc1c(C)nn(c1C)-c1ccccc1
Show InChI InChI=1S/C21H23N3O2/c1-15-19(16(2)24(23-15)18-10-5-4-6-11-18)13-21(25)22-14-17-9-7-8-12-20(17)26-3/h4-12H,13-14H2,1-3H3,(H,22,25)
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n/an/a>1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation


Bioorg Med Chem Lett 20: 3161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.096
BindingDB Entry DOI: 10.7270/Q2W66N1B
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50415911
PNG
(CHEMBL1095774)
Show SMILES Cc1nn(c(C)c1CC(=O)NCc1ccccc1Cl)-c1ccccc1
Show InChI InChI=1S/C20H20ClN3O/c1-14-18(15(2)24(23-14)17-9-4-3-5-10-17)12-20(25)22-13-16-8-6-7-11-19(16)21/h3-11H,12-13H2,1-2H3,(H,22,25)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation


Bioorg Med Chem Lett 20: 3161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.096
BindingDB Entry DOI: 10.7270/Q2W66N1B
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50415912
PNG
(CHEMBL1095773)
Show SMILES Cc1nn(c(C)c1CC(=O)NCc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C20H21N3O/c1-15-19(13-20(24)21-14-17-9-5-3-6-10-17)16(2)23(22-15)18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3,(H,21,24)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation


Bioorg Med Chem Lett 20: 3161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.096
BindingDB Entry DOI: 10.7270/Q2W66N1B
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50415893
PNG
(CHEMBL1095395)
Show SMILES Cc1nc(sc1CC(=O)NCc1ccc(F)cc1Cl)-c1ccccc1
Show InChI InChI=1S/C19H16ClFN2OS/c1-12-17(25-19(23-12)13-5-3-2-4-6-13)10-18(24)22-11-14-7-8-15(21)9-16(14)20/h2-9H,10-11H2,1H3,(H,22,24)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation


Bioorg Med Chem Lett 20: 3161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.096
BindingDB Entry DOI: 10.7270/Q2W66N1B
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50415899
PNG
(CHEMBL1096099)
Show SMILES Cc1nn(c(C)c1Cc1nnc(Cc2ccc(Cl)cc2Cl)o1)-c1ccccc1
Show InChI InChI=1S/C21H18Cl2N4O/c1-13-18(14(2)27(26-13)17-6-4-3-5-7-17)12-21-25-24-20(28-21)10-15-8-9-16(22)11-19(15)23/h3-9,11H,10,12H2,1-2H3
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n/an/a 1.26E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation


Bioorg Med Chem Lett 20: 3161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.096
BindingDB Entry DOI: 10.7270/Q2W66N1B
More data for this
Ligand-Target Pair