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Compile Data Set for Download or QSAR

Found 42 hits Enz. Inhib. hit(s) with all data for entry = 50011074   
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))
BDBM50544690
PNG
(CHEMBL4647719)
Show SMILES FC(F)(F)c1cccc(CNC(=O)[C@@H]2CCC(=O)N2c2cccs2)c1Cl |r|
Show InChI InChI=1S/C17H14ClF3N2O2S/c18-15-10(3-1-4-11(15)17(19,20)21)9-22-16(25)12-6-7-13(24)23(12)14-5-2-8-26-14/h1-5,8,12H,6-7,9H2,(H,22,25)/t12-/m0/s1
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44n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-A804598 from human P2X7 expressed in human HEK293 cell membrane incubated for 1 hr by microplate scintillation counting method


J Med Chem 63: 2074-2094 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50416603
PNG
(CHEMBL1222883)
Show SMILES CN1[C@@H](CCC1=O)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C14H14ClF3N2O2/c1-20-10(5-6-11(20)21)13(22)19-7-8-3-2-4-9(12(8)15)14(16,17)18/h2-4,10H,5-7H2,1H3,(H,19,22)/t10-/m0/s1
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68n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-A804598 from human P2X7 expressed in human HEK293 cell membrane incubated for 1 hr by microplate scintillation counting method


J Med Chem 63: 2074-2094 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50544691
PNG
(CHEMBL4635391)
Show SMILES Clc1ccc(CNC(=O)[C@@H]2CCC(=O)N2c2cscn2)c(Cl)c1 |r|
Show InChI InChI=1S/C15H13Cl2N3O2S/c16-10-2-1-9(11(17)5-10)6-18-15(22)12-3-4-14(21)20(12)13-7-23-8-19-13/h1-2,5,7-8,12H,3-4,6H2,(H,18,22)/t12-/m0/s1
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78n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-A804598 from human P2X7 expressed in human HEK293 cell membrane incubated for 1 hr by microplate scintillation counting method


J Med Chem 63: 2074-2094 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50544693
PNG
(CHEMBL4635968)
Show SMILES Clc1ccc(CNC(=O)[C@@H]2CCC(=O)N2c2ccoc2)c(Cl)c1 |r|
Show InChI InChI=1S/C16H14Cl2N2O3/c17-11-2-1-10(13(18)7-11)8-19-16(22)14-3-4-15(21)20(14)12-5-6-23-9-12/h1-2,5-7,9,14H,3-4,8H2,(H,19,22)/t14-/m0/s1
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86n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-A804598 from human P2X7 expressed in human HEK293 cell membrane incubated for 1 hr by microplate scintillation counting method


J Med Chem 63: 2074-2094 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50544694
PNG
(CHEMBL4648310)
Show SMILES Clc1ccc(CNC(=O)[C@@H]2CCC(=O)N2c2ccco2)c(Cl)c1 |r|
Show InChI InChI=1S/C16H14Cl2N2O3/c17-11-4-3-10(12(18)8-11)9-19-16(22)13-5-6-14(21)20(13)15-2-1-7-23-15/h1-4,7-8,13H,5-6,9H2,(H,19,22)/t13-/m0/s1
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118n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-A804598 from human P2X7 expressed in human HEK293 cell membrane incubated for 1 hr by microplate scintillation counting method


J Med Chem 63: 2074-2094 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50544696
PNG
(CHEMBL4642922)
Show SMILES Clc1ccc(CNC(=O)[C@@H]2CCC(=O)N2c2cccs2)c(Cl)c1 |r|
Show InChI InChI=1S/C16H14Cl2N2O2S/c17-11-4-3-10(12(18)8-11)9-19-16(22)13-5-6-14(21)20(13)15-2-1-7-23-15/h1-4,7-8,13H,5-6,9H2,(H,19,22)/t13-/m0/s1
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147n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-A804598 from human P2X7 expressed in human HEK293 cell membrane incubated for 1 hr by microplate scintillation counting method


J Med Chem 63: 2074-2094 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50544697
PNG
(CHEMBL2218759)
Show SMILES CN1[C@@H](CCC1=O)C(=O)NCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C13H14Cl2N2O2/c1-17-11(4-5-12(17)18)13(19)16-7-8-2-3-9(14)6-10(8)15/h2-3,6,11H,4-5,7H2,1H3,(H,16,19)/t11-/m0/s1
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176n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-A804598 from human P2X7 expressed in human HEK293 cell membrane incubated for 1 hr by microplate scintillation counting method


J Med Chem 63: 2074-2094 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50544695
PNG
(CHEMBL4648902)
Show SMILES Clc1ccc(CNC(=O)[C@@H]2CCC(=O)N2c2ccsc2)c(Cl)c1 |r|
Show InChI InChI=1S/C16H14Cl2N2O2S/c17-11-2-1-10(13(18)7-11)8-19-16(22)14-3-4-15(21)20(14)12-5-6-23-9-12/h1-2,5-7,9,14H,3-4,8H2,(H,19,22)/t14-/m0/s1
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256n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-A804598 from human P2X7 expressed in human HEK293 cell membrane incubated for 1 hr by microplate scintillation counting method


J Med Chem 63: 2074-2094 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50544692
PNG
(CHEMBL4638071)
Show SMILES Clc1ccc(CNC(=O)[C@@H]2CCC(=O)N2c2nccs2)c(Cl)c1 |r|
Show InChI InChI=1S/C15H13Cl2N3O2S/c16-10-2-1-9(11(17)7-10)8-19-14(22)12-3-4-13(21)20(12)15-18-5-6-23-15/h1-2,5-7,12H,3-4,8H2,(H,19,22)/t12-/m0/s1
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489n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-A804598 from human P2X7 expressed in human HEK293 cell membrane incubated for 1 hr by microplate scintillation counting method


J Med Chem 63: 2074-2094 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50544699
PNG
(CHEMBL4645488)
Show SMILES Clc1ccc(CNC(=O)[C@@H]2COC(=O)N2c2cccs2)c(Cl)c1 |r|
Show InChI InChI=1S/C15H12Cl2N2O3S/c16-10-4-3-9(11(17)6-10)7-18-14(20)12-8-22-15(21)19(12)13-2-1-5-23-13/h1-6,12H,7-8H2,(H,18,20)/t12-/m0/s1
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3.11E+3n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-A804598 from human P2X7 expressed in human HEK293 cell membrane incubated for 1 hr by microplate scintillation counting method


J Med Chem 63: 2074-2094 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50417277
PNG
(CHEMBL1269249)
Show SMILES CN1[C@@H](CNC1=O)C(=O)NCc1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C12H13Cl2N3O2/c1-17-10(6-16-12(17)19)11(18)15-5-7-2-3-8(13)4-9(7)14/h2-4,10H,5-6H2,1H3,(H,15,18)(H,16,19)/t10-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 expressed in human HEK293 cells assessed as reduction in BzATP-stimulated TO-PRO-3 incorporation preincubated with compound ...


J Med Chem 63: 2074-2094 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50417275
PNG
(CHEMBL1271939)
Show SMILES CN1[C@@H](CN(C1=O)c1cccnc1C)C(=O)NCc1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C18H18Cl2N4O2/c1-11-15(4-3-7-21-11)24-10-16(23(2)18(24)26)17(25)22-9-12-5-6-13(19)8-14(12)20/h3-8,16H,9-10H2,1-2H3,(H,22,25)/t16-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 expressed in human HEK293 cells assessed as reduction in BzATP-stimulated TO-PRO-3 incorporation preincubated with compound ...


J Med Chem 63: 2074-2094 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50417267
PNG
(CHEMBL1271768)
Show SMILES CN1[C@@H](COC1=O)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C13H12ClF3N2O3/c1-19-9(6-22-12(19)21)11(20)18-5-7-3-2-4-8(10(7)14)13(15,16)17/h2-4,9H,5-6H2,1H3,(H,18,20)/t9-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 expressed in human HEK293 cells assessed as reduction in BzATP-stimulated TO-PRO-3 incorporation preincubated with compound ...


J Med Chem 63: 2074-2094 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50417265
PNG
(CHEMBL1271708)
Show SMILES CN1[C@@H](CC(C)(C)C1=O)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C16H18ClF3N2O2/c1-15(2)7-11(22(3)14(15)24)13(23)21-8-9-5-4-6-10(12(9)17)16(18,19)20/h4-6,11H,7-8H2,1-3H3,(H,21,23)/t11-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 expressed in human HEK293 cells assessed as reduction in BzATP-stimulated TO-PRO-3 incorporation preincubated with compound ...


J Med Chem 63: 2074-2094 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50544690
PNG
(CHEMBL4647719)
Show SMILES FC(F)(F)c1cccc(CNC(=O)[C@@H]2CCC(=O)N2c2cccs2)c1Cl |r|
Show InChI InChI=1S/C17H14ClF3N2O2S/c18-15-10(3-1-4-11(15)17(19,20)21)9-22-16(25)12-6-7-13(24)23(12)14-5-2-8-26-14/h1-5,8,12H,6-7,9H2,(H,22,25)/t12-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 expressed in human HEK293 cells assessed as reduction in BzATP-stimulated TO-PRO-3 incorporation preincubated with compound ...


J Med Chem 63: 2074-2094 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50416603
PNG
(CHEMBL1222883)
Show SMILES CN1[C@@H](CCC1=O)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C14H14ClF3N2O2/c1-20-10(5-6-11(20)21)13(22)19-7-8-3-2-4-9(12(8)15)14(16,17)18/h2-4,10H,5-7H2,1H3,(H,19,22)/t10-/m0/s1
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n/an/a 119n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 expressed in human HEK293 cells assessed as reduction in BzATP-stimulated TO-PRO-3 incorporation preincubated with compound ...


J Med Chem 63: 2074-2094 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50544693
PNG
(CHEMBL4635968)
Show SMILES Clc1ccc(CNC(=O)[C@@H]2CCC(=O)N2c2ccoc2)c(Cl)c1 |r|
Show InChI InChI=1S/C16H14Cl2N2O3/c17-11-2-1-10(13(18)7-11)8-19-16(22)14-3-4-15(21)20(14)12-5-6-23-9-12/h1-2,5-7,9,14H,3-4,8H2,(H,19,22)/t14-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 expressed in human HEK293 cells assessed as reduction in BzATP-stimulated TO-PRO-3 incorporation preincubated with compound ...


J Med Chem 63: 2074-2094 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50544690
PNG
(CHEMBL4647719)
Show SMILES FC(F)(F)c1cccc(CNC(=O)[C@@H]2CCC(=O)N2c2cccs2)c1Cl |r|
Show InChI InChI=1S/C17H14ClF3N2O2S/c18-15-10(3-1-4-11(15)17(19,20)21)9-22-16(25)12-6-7-13(24)23(12)14-5-2-8-26-14/h1-5,8,12H,6-7,9H2,(H,22,25)/t12-/m0/s1
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n/an/a 218n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-A804598 from human P2X7 expressed in human HEK293 cell membrane incubated for 1 hr by microplate scintillation counting method


J Med Chem 63: 2074-2094 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50544696
PNG
(CHEMBL4642922)
Show SMILES Clc1ccc(CNC(=O)[C@@H]2CCC(=O)N2c2cccs2)c(Cl)c1 |r|
Show InChI InChI=1S/C16H14Cl2N2O2S/c17-11-4-3-10(12(18)8-11)9-19-16(22)13-5-6-14(21)20(13)15-2-1-7-23-15/h1-4,7-8,13H,5-6,9H2,(H,19,22)/t13-/m0/s1
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n/an/a 229n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 expressed in human HEK293 cells assessed as reduction in BzATP-stimulated TO-PRO-3 incorporation preincubated with compound ...


J Med Chem 63: 2074-2094 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50544694
PNG
(CHEMBL4648310)
Show SMILES Clc1ccc(CNC(=O)[C@@H]2CCC(=O)N2c2ccco2)c(Cl)c1 |r|
Show InChI InChI=1S/C16H14Cl2N2O3/c17-11-4-3-10(12(18)8-11)9-19-16(22)13-5-6-14(21)20(13)15-2-1-7-23-15/h1-4,7-8,13H,5-6,9H2,(H,19,22)/t13-/m0/s1
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n/an/a 244n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 expressed in human HEK293 cells assessed as reduction in BzATP-stimulated TO-PRO-3 incorporation preincubated with compound ...


J Med Chem 63: 2074-2094 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50544691
PNG
(CHEMBL4635391)
Show SMILES Clc1ccc(CNC(=O)[C@@H]2CCC(=O)N2c2cscn2)c(Cl)c1 |r|
Show InChI InChI=1S/C15H13Cl2N3O2S/c16-10-2-1-9(11(17)5-10)6-18-15(22)12-3-4-14(21)20(12)13-7-23-8-19-13/h1-2,5,7-8,12H,3-4,6H2,(H,18,22)/t12-/m0/s1
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Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 expressed in human HEK293 cells assessed as reduction in BzATP-stimulated TO-PRO-3 incorporation preincubated with compound ...


J Med Chem 63: 2074-2094 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50416603
PNG
(CHEMBL1222883)
Show SMILES CN1[C@@H](CCC1=O)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C14H14ClF3N2O2/c1-20-10(5-6-11(20)21)13(22)19-7-8-3-2-4-9(12(8)15)14(16,17)18/h2-4,10H,5-7H2,1H3,(H,19,22)/t10-/m0/s1
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n/an/a 332n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-A804598 from human P2X7 expressed in human HEK293 cell membrane incubated for 1 hr by microplate scintillation counting method


J Med Chem 63: 2074-2094 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50544691
PNG
(CHEMBL4635391)
Show SMILES Clc1ccc(CNC(=O)[C@@H]2CCC(=O)N2c2cscn2)c(Cl)c1 |r|
Show InChI InChI=1S/C15H13Cl2N3O2S/c16-10-2-1-9(11(17)5-10)6-18-15(22)12-3-4-14(21)20(12)13-7-23-8-19-13/h1-2,5,7-8,12H,3-4,6H2,(H,18,22)/t12-/m0/s1
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Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-A804598 from human P2X7 expressed in human HEK293 cell membrane incubated for 1 hr by microplate scintillation counting method


J Med Chem 63: 2074-2094 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50544692
PNG
(CHEMBL4638071)
Show SMILES Clc1ccc(CNC(=O)[C@@H]2CCC(=O)N2c2nccs2)c(Cl)c1 |r|
Show InChI InChI=1S/C15H13Cl2N3O2S/c16-10-2-1-9(11(17)7-10)8-19-14(22)12-3-4-13(21)20(12)15-18-5-6-23-15/h1-2,5-7,12H,3-4,8H2,(H,19,22)/t12-/m0/s1
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n/an/a 415n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 expressed in human HEK293 cells assessed as reduction in BzATP-stimulated TO-PRO-3 incorporation preincubated with compound ...


J Med Chem 63: 2074-2094 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50544693
PNG
(CHEMBL4635968)
Show SMILES Clc1ccc(CNC(=O)[C@@H]2CCC(=O)N2c2ccoc2)c(Cl)c1 |r|
Show InChI InChI=1S/C16H14Cl2N2O3/c17-11-2-1-10(13(18)7-11)8-19-16(22)14-3-4-15(21)20(14)12-5-6-23-9-12/h1-2,5-7,9,14H,3-4,8H2,(H,19,22)/t14-/m0/s1
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n/an/a 422n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-A804598 from human P2X7 expressed in human HEK293 cell membrane incubated for 1 hr by microplate scintillation counting method


J Med Chem 63: 2074-2094 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50544697
PNG
(CHEMBL2218759)
Show SMILES CN1[C@@H](CCC1=O)C(=O)NCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C13H14Cl2N2O2/c1-17-11(4-5-12(17)18)13(19)16-7-8-2-3-9(14)6-10(8)15/h2-3,6,11H,4-5,7H2,1H3,(H,16,19)/t11-/m0/s1
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n/an/a 474n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 expressed in human HEK293 cells assessed as reduction in BzATP-stimulated TO-PRO-3 incorporation preincubated with compound ...


J Med Chem 63: 2074-2094 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50544694
PNG
(CHEMBL4648310)
Show SMILES Clc1ccc(CNC(=O)[C@@H]2CCC(=O)N2c2ccco2)c(Cl)c1 |r|
Show InChI InChI=1S/C16H14Cl2N2O3/c17-11-4-3-10(12(18)8-11)9-19-16(22)13-5-6-14(21)20(13)15-2-1-7-23-15/h1-4,7-8,13H,5-6,9H2,(H,19,22)/t13-/m0/s1
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Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-A804598 from human P2X7 expressed in human HEK293 cell membrane incubated for 1 hr by microplate scintillation counting method


J Med Chem 63: 2074-2094 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50544696
PNG
(CHEMBL4642922)
Show SMILES Clc1ccc(CNC(=O)[C@@H]2CCC(=O)N2c2cccs2)c(Cl)c1 |r|
Show InChI InChI=1S/C16H14Cl2N2O2S/c17-11-4-3-10(12(18)8-11)9-19-16(22)13-5-6-14(21)20(13)15-2-1-7-23-15/h1-4,7-8,13H,5-6,9H2,(H,19,22)/t13-/m0/s1
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n/an/a 720n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-A804598 from human P2X7 expressed in human HEK293 cell membrane incubated for 1 hr by microplate scintillation counting method


J Med Chem 63: 2074-2094 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50544695
PNG
(CHEMBL4648902)
Show SMILES Clc1ccc(CNC(=O)[C@@H]2CCC(=O)N2c2ccsc2)c(Cl)c1 |r|
Show InChI InChI=1S/C16H14Cl2N2O2S/c17-11-2-1-10(13(18)7-11)8-19-16(22)14-3-4-15(21)20(14)12-5-6-23-9-12/h1-2,5-7,9,14H,3-4,8H2,(H,19,22)/t14-/m0/s1
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n/an/a 813n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 expressed in human HEK293 cells assessed as reduction in BzATP-stimulated TO-PRO-3 incorporation preincubated with compound ...


J Med Chem 63: 2074-2094 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50544697
PNG
(CHEMBL2218759)
Show SMILES CN1[C@@H](CCC1=O)C(=O)NCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C13H14Cl2N2O2/c1-17-11(4-5-12(17)18)13(19)16-7-8-2-3-9(14)6-10(8)15/h2-3,6,11H,4-5,7H2,1H3,(H,16,19)/t11-/m0/s1
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n/an/a 862n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-A804598 from human P2X7 expressed in human HEK293 cell membrane incubated for 1 hr by microplate scintillation counting method


J Med Chem 63: 2074-2094 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50544705
PNG
(CHEMBL4641636)
Show SMILES Clc1ccc(CNC(=O)[C@@H]2CCC(=O)N2Cc2ccccc2)c(Cl)c1 |r|
Show InChI InChI=1S/C19H18Cl2N2O2/c20-15-7-6-14(16(21)10-15)11-22-19(25)17-8-9-18(24)23(17)12-13-4-2-1-3-5-13/h1-7,10,17H,8-9,11-12H2,(H,22,25)/t17-/m0/s1
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n/an/a 1.13E+3n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 expressed in human HEK293 cells assessed as reduction in BzATP-stimulated TO-PRO-3 incorporation preincubated with compound ...


J Med Chem 63: 2074-2094 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50544695
PNG
(CHEMBL4648902)
Show SMILES Clc1ccc(CNC(=O)[C@@H]2CCC(=O)N2c2ccsc2)c(Cl)c1 |r|
Show InChI InChI=1S/C16H14Cl2N2O2S/c17-11-2-1-10(13(18)7-11)8-19-16(22)14-3-4-15(21)20(14)12-5-6-23-9-12/h1-2,5-7,9,14H,3-4,8H2,(H,19,22)/t14-/m0/s1
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n/an/a 1.25E+3n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-A804598 from human P2X7 expressed in human HEK293 cell membrane incubated for 1 hr by microplate scintillation counting method


J Med Chem 63: 2074-2094 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50544692
PNG
(CHEMBL4638071)
Show SMILES Clc1ccc(CNC(=O)[C@@H]2CCC(=O)N2c2nccs2)c(Cl)c1 |r|
Show InChI InChI=1S/C15H13Cl2N3O2S/c16-10-2-1-9(11(17)7-10)8-19-14(22)12-3-4-13(21)20(12)15-18-5-6-23-15/h1-2,5-7,12H,3-4,8H2,(H,19,22)/t12-/m0/s1
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n/an/a 2.39E+3n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-A804598 from human P2X7 expressed in human HEK293 cell membrane incubated for 1 hr by microplate scintillation counting method


J Med Chem 63: 2074-2094 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50544698
PNG
(CHEMBL4636913)
Show SMILES Clc1ccc(CNC(=O)C2CN(C(=O)C2)c2cccs2)c(Cl)c1
Show InChI InChI=1S/C16H14Cl2N2O2S/c17-12-4-3-10(13(18)7-12)8-19-16(22)11-6-14(21)20(9-11)15-2-1-5-23-15/h1-5,7,11H,6,8-9H2,(H,19,22)
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n/an/a 2.41E+3n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 expressed in human HEK293 cells assessed as reduction in BzATP-stimulated TO-PRO-3 incorporation preincubated with compound ...


J Med Chem 63: 2074-2094 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50544699
PNG
(CHEMBL4645488)
Show SMILES Clc1ccc(CNC(=O)[C@@H]2COC(=O)N2c2cccs2)c(Cl)c1 |r|
Show InChI InChI=1S/C15H12Cl2N2O3S/c16-10-4-3-9(11(17)6-10)7-18-14(20)12-8-22-15(21)19(12)13-2-1-5-23-13/h1-6,12H,7-8H2,(H,18,20)/t12-/m0/s1
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n/an/a 3.17E+3n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 expressed in human HEK293 cells assessed as reduction in BzATP-stimulated TO-PRO-3 incorporation preincubated with compound ...


J Med Chem 63: 2074-2094 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50544704
PNG
(CHEMBL4633098)
Show SMILES Clc1ccc(CNC(=O)[C@@H]2CCC(=O)N2Cc2ccccc2Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C19H17Cl3N2O2/c20-14-6-5-12(16(22)9-14)10-23-19(26)17-7-8-18(25)24(17)11-13-3-1-2-4-15(13)21/h1-6,9,17H,7-8,10-11H2,(H,23,26)/t17-/m0/s1
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n/an/a 3.46E+3n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 expressed in human HEK293 cells assessed as reduction in BzATP-stimulated TO-PRO-3 incorporation preincubated with compound ...


J Med Chem 63: 2074-2094 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50544703
PNG
(CHEMBL4637457)
Show SMILES O\N=C1/C[C@H](N(C1=O)c1cccs1)C(=O)NCc1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C16H13Cl2N3O3S/c17-10-4-3-9(11(18)6-10)8-19-15(22)13-7-12(20-24)16(23)21(13)14-2-1-5-25-14/h1-6,13,24H,7-8H2,(H,19,22)/b20-12+/t13-/m0/s1
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n/an/a 3.72E+3n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 expressed in human HEK293 cells assessed as reduction in BzATP-stimulated TO-PRO-3 incorporation preincubated with compound ...


J Med Chem 63: 2074-2094 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50544702
PNG
(CHEMBL4639445)
Show SMILES COC(=O)[C@@H]1C\C(=C/NCc2ccc(Cl)cc2Cl)C(=O)N1C(=O)OC |r|
Show InChI InChI=1S/C16H16Cl2N2O5/c1-24-15(22)13-5-10(14(21)20(13)16(23)25-2)8-19-7-9-3-4-11(17)6-12(9)18/h3-4,6,8,13,19H,5,7H2,1-2H3/b10-8+/t13-/m0/s1
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n/an/a 4.27E+3n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 expressed in human HEK293 cells assessed as reduction in BzATP-stimulated TO-PRO-3 incorporation preincubated with compound ...


J Med Chem 63: 2074-2094 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50544700
PNG
(CHEMBL4639608)
Show SMILES CN1CCN(CC1)\C=C1/C[C@H](N(C1=O)c1cccs1)C(=O)NCc1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C22H24Cl2N4O2S/c1-26-6-8-27(9-7-26)14-16-11-19(28(22(16)30)20-3-2-10-31-20)21(29)25-13-15-4-5-17(23)12-18(15)24/h2-5,10,12,14,19H,6-9,11,13H2,1H3,(H,25,29)/b16-14+/t19-/m0/s1
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n/an/a 6.95E+3n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 expressed in human HEK293 cells assessed as reduction in BzATP-stimulated TO-PRO-3 incorporation preincubated with compound ...


J Med Chem 63: 2074-2094 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50544701
PNG
(CHEMBL4632746)
Show SMILES Clc1ccc(CNC(=O)[C@@H]2C\C(=C/N3CCOCC3)C(=O)N2)c(Cl)c1 |r|
Show InChI InChI=1S/C17H19Cl2N3O3/c18-13-2-1-11(14(19)8-13)9-20-17(24)15-7-12(16(23)21-15)10-22-3-5-25-6-4-22/h1-2,8,10,15H,3-7,9H2,(H,20,24)(H,21,23)/b12-10+/t15-/m0/s1
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n/an/a 9.56E+3n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 expressed in human HEK293 cells assessed as reduction in BzATP-stimulated TO-PRO-3 incorporation preincubated with compound ...


J Med Chem 63: 2074-2094 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50544706
PNG
(CHEMBL4644334)
Show SMILES Clc1ccc(CNC(=O)[C@@H]2CCC(=O)N2c2ccccc2)c(Cl)c1 |r|
Show InChI InChI=1S/C18H16Cl2N2O2/c19-13-7-6-12(15(20)10-13)11-21-18(24)16-8-9-17(23)22(16)14-4-2-1-3-5-14/h1-7,10,16H,8-9,11H2,(H,21,24)/t16-/m0/s1
PDB

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



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 expressed in human HEK293 cells assessed as reduction in BzATP-stimulated TO-PRO-3 incorporation preincubated with compound ...


J Med Chem 63: 2074-2094 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50544699
PNG
(CHEMBL4645488)
Show SMILES Clc1ccc(CNC(=O)[C@@H]2COC(=O)N2c2cccs2)c(Cl)c1 |r|
Show InChI InChI=1S/C15H12Cl2N2O3S/c16-10-4-3-9(11(17)6-10)7-18-14(20)12-8-22-15(21)19(12)13-2-1-5-23-13/h1-6,12H,7-8H2,(H,18,20)/t12-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.51E+4n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-A804598 from human P2X7 expressed in human HEK293 cell membrane incubated for 1 hr by microplate scintillation counting method


J Med Chem 63: 2074-2094 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2
More data for this
Ligand-Target Pair