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36 molecules are shown

Wt: 463.5
BDBM50404070		Wt: 540.3
BDBM50404074		Wt: 303.8
BDBM50404085Purchase		Wt: 338.2
BDBM50404091Purchase		Wt: 306.1
BDBM50410955Purchase
Wt: 490.8
BDBM50413922Purchase		Wt: 303.8
BDBM50414318Purchase		Wt: 270.3
BDBM50414317Purchase		Wt: 303.8
BDBM50414328Purchase		Wt: 298.3
BDBM50414335Purchase
Wt: 289.8
BDBM50414320Purchase		Wt: 277.7
BDBM50416385Purchase		Wt: 421.7
BDBM50416605Purchase		Wt: 277.7
BDBM50416373Purchase		Wt: 313.1
BDBM50416376Purchase
<<  First   |  Previous   |  Displayed 16 to 30 (of 36 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 35 hits for monomerid = 50404070,50404074,50404085,50404091,50410955,50413922,50414318,50414317,50414328,50414335,50414320,50416385,50416605,50416373,50416376   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50410955
PNG
(A-438079 | CHEMBL377219)
Show SMILES Clc1cccc(-c2nnnn2Cc2cccnc2)c1Cl
Show InChI InChI=1S/C13H9Cl2N5/c14-11-5-1-4-10(12(11)15)13-17-18-19-20(13)8-9-3-2-6-16-7-9/h1-7H,8H2
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 68n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-A-804598 from human P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))		BDBM50410955
PNG
(A-438079 | CHEMBL377219)
Show SMILES Clc1cccc(-c2nnnn2Cc2cccnc2)c1Cl
Show InChI InChI=1S/C13H9Cl2N5/c14-11-5-1-4-10(12(11)15)13-17-18-19-20(13)8-9-3-2-6-16-7-9/h1-7H,8H2
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TBA

Assay Description
Displacement of [3H]-A-804598 from rat P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50404070
PNG
(CHEMBL338117)
Show SMILES Oc1csc(=O)n1C(CCc1ccncc1)COc1ccc(cc1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C24H21N3O5S/c28-23-16-33-24(29)26(23)21(7-4-17-10-12-25-13-11-17)15-32-22-8-5-18(6-9-22)19-2-1-3-20(14-19)27(30)31/h1-3,5-6,8-14,16,21,28H,4,7,15H2
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n/an/a 31n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 receptor

Bioorg Med Chem Lett 25: 3164-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.001
BindingDB Entry DOI: 10.7270/Q22N5427
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50404091
PNG
(CHEMBL441479)
Show SMILES Clc1cccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1Cl |TLB:13:14:18:12.11.17,17:12:19:16.18.15,17:16:19:12.11.13,THB:13:12:18:14.19.15|
Show InChI InChI=1S/C18H21Cl2NO/c19-15-3-1-2-14(16(15)20)17(22)21-10-18-7-11-4-12(8-18)6-13(5-11)9-18/h1-3,11-13H,4-10H2,(H,21,22)
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n/an/a 65n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor

Bioorg Med Chem Lett 17: 4044-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.075
BindingDB Entry DOI: 10.7270/Q22F7PRH
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))		BDBM50404091
PNG
(CHEMBL441479)
Show SMILES Clc1cccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1Cl |TLB:13:14:18:12.11.17,17:12:19:16.18.15,17:16:19:12.11.13,THB:13:12:18:14.19.15|
Show InChI InChI=1S/C18H21Cl2NO/c19-15-3-1-2-14(16(15)20)17(22)21-10-18-7-11-4-12(8-18)6-13(5-11)9-18/h1-3,11-13H,4-10H2,(H,21,22)
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n/an/a 813n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X7 receptor

Bioorg Med Chem Lett 17: 4044-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.075
BindingDB Entry DOI: 10.7270/Q22F7PRH
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50414328
PNG
(CHEMBL339140)
Show SMILES Clc1ccccc1NC(=O)CC12CC3CC(CC(C3)C1)C2 |TLB:20:11:18:15.14.16,THB:20:15:11.12.19:18,16:17:12:15.20.14,16:15:12:17.19.18|
Show InChI InChI=1S/C18H22ClNO/c19-15-3-1-2-4-16(15)20-17(21)11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H,20,21)
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n/an/a 501n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Antagonistic activity against P2X7 receptor

Bioorg Med Chem Lett 13: 4047-50 (2003)


BindingDB Entry DOI: 10.7270/Q2J966XJ
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))		BDBM50413922
PNG
(CHEMBL492113)
Show SMILES COc1ccc(CC(=O)NC(NC(=S)Nc2ccccc2C)C(Cl)(Cl)Cl)cc1OC
Show InChI InChI=1S/C20H22Cl3N3O3S/c1-12-6-4-5-7-14(12)24-19(30)26-18(20(21,22)23)25-17(27)11-13-8-9-15(28-2)16(10-13)29-3/h4-10,18H,11H2,1-3H3,(H,25,27)(H2,24,26,30)
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n/an/a 50.1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat cloned P2X7 receptor expressed in HEK293 cells assessed as inhibition of calcium flux by FLIPR assay

J Med Chem 52: 3366-76 (2009)


Article DOI: 10.1021/jm8015848
BindingDB Entry DOI: 10.7270/Q2348MMG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50413922
PNG
(CHEMBL492113)
Show SMILES COc1ccc(CC(=O)NC(NC(=S)Nc2ccccc2C)C(Cl)(Cl)Cl)cc1OC
Show InChI InChI=1S/C20H22Cl3N3O3S/c1-12-6-4-5-7-14(12)24-19(30)26-18(20(21,22)23)25-17(27)11-13-8-9-15(28-2)16(10-13)29-3/h4-10,18H,11H2,1-3H3,(H,25,27)(H2,24,26,30)
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n/an/a 100n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned P2X7 receptor expressed in HEK293 cells assessed as inhibition of calcium flux by FLIPR assay

J Med Chem 52: 3366-76 (2009)


Article DOI: 10.1021/jm8015848
BindingDB Entry DOI: 10.7270/Q2348MMG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50416373
PNG
(CHEMBL1210502)
Show SMILES Cc1n[nH]c(C)c1CC(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C14H16ClN3O/c1-9-12(10(2)18-17-9)7-14(19)16-8-11-5-3-4-6-13(11)15/h3-6H,7-8H2,1-2H3,(H,16,19)(H,17,18)
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n/an/a 251n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor ethidium bromide release assay

Bioorg Med Chem Lett 20: 4653-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.107
BindingDB Entry DOI: 10.7270/Q2DZ09HF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50416376
PNG
(CHEMBL1210622)
Show SMILES Cc1noc(C)c1CC(=O)NCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C14H14Cl2N2O2/c1-8-12(9(2)20-18-8)6-14(19)17-7-10-3-4-11(15)5-13(10)16/h3-5H,6-7H2,1-2H3,(H,17,19)
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n/an/a 15.8n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor ethidium bromide release assay

Bioorg Med Chem Lett 20: 4653-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.107
BindingDB Entry DOI: 10.7270/Q2DZ09HF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50416385
PNG
(CHEMBL1210503)
Show SMILES Cc1n[nH]c(C)c1CC(=O)NCc1cccc(Cl)c1
Show InChI InChI=1S/C14H16ClN3O/c1-9-13(10(2)18-17-9)7-14(19)16-8-11-4-3-5-12(15)6-11/h3-6H,7-8H2,1-2H3,(H,16,19)(H,17,18)
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n/an/a 158n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor ethidium bromide release assay

Bioorg Med Chem Lett 20: 4653-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.107
BindingDB Entry DOI: 10.7270/Q2DZ09HF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50404091
PNG
(CHEMBL441479)
Show SMILES Clc1cccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1Cl |TLB:13:14:18:12.11.17,17:12:19:16.18.15,17:16:19:12.11.13,THB:13:12:18:14.19.15|
Show InChI InChI=1S/C18H21Cl2NO/c19-15-3-1-2-14(16(15)20)17(22)21-10-18-7-11-4-12(8-18)6-13(5-11)9-18/h1-3,11-13H,4-10H2,(H,21,22)
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n/an/a 63.1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of calcium flux by FLIPR

J Med Chem 49: 3659-66 (2006)


Article DOI: 10.1021/jm051202e
BindingDB Entry DOI: 10.7270/Q2VD70P4
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50410955
PNG
(A-438079 | CHEMBL377219)
Show SMILES Clc1cccc(-c2nnnn2Cc2cccnc2)c1Cl
Show InChI InChI=1S/C13H9Cl2N5/c14-11-5-1-4-10(12(11)15)13-17-18-19-20(13)8-9-3-2-6-16-7-9/h1-7H,8H2
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n/an/a 126n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of calcium flux by FLIPR

J Med Chem 49: 3659-66 (2006)


Article DOI: 10.1021/jm051202e
BindingDB Entry DOI: 10.7270/Q2VD70P4
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))		BDBM50410955
PNG
(A-438079 | CHEMBL377219)
Show SMILES Clc1cccc(-c2nnnn2Cc2cccnc2)c1Cl
Show InChI InChI=1S/C13H9Cl2N5/c14-11-5-1-4-10(12(11)15)13-17-18-19-20(13)8-9-3-2-6-16-7-9/h1-7H,8H2
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n/an/a 316n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of calcium flux by FLIPR

J Med Chem 49: 3659-66 (2006)


Article DOI: 10.1021/jm051202e
BindingDB Entry DOI: 10.7270/Q2VD70P4
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50410955
PNG
(A-438079 | CHEMBL377219)
Show SMILES Clc1cccc(-c2nnnn2Cc2cccnc2)c1Cl
Show InChI InChI=1S/C13H9Cl2N5/c14-11-5-1-4-10(12(11)15)13-17-18-19-20(13)8-9-3-2-6-16-7-9/h1-7H,8H2
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n/an/a 123n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor assessed as inhibition of BzATP-induced calcium flux by FLIPR assay

Bioorg Med Chem Lett 18: 2089-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.095
BindingDB Entry DOI: 10.7270/Q2ZW1N5R
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))		BDBM50410955
PNG
(A-438079 | CHEMBL377219)
Show SMILES Clc1cccc(-c2nnnn2Cc2cccnc2)c1Cl
Show InChI InChI=1S/C13H9Cl2N5/c14-11-5-1-4-10(12(11)15)13-17-18-19-20(13)8-9-3-2-6-16-7-9/h1-7H,8H2
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n/an/a 309n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X7 receptor assessed as inhibition of BzATP-induced calcium flux by FLIPR assay

Bioorg Med Chem Lett 18: 2089-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.095
BindingDB Entry DOI: 10.7270/Q2ZW1N5R
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50414317
PNG
(CHEMBL560222)
Show SMILES CC1(C)C2CCC(C2)(C(=O)NNc2ccccc2)C1=C |THB:19:18:4.5:7|
Show InChI InChI=1S/C17H22N2O/c1-12-16(2,3)13-9-10-17(12,11-13)15(20)19-18-14-7-5-4-6-8-14/h4-8,13,18H,1,9-11H2,2-3H3,(H,19,20)
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n/an/a 50.1n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7 receptor in human THP1 cells assessed as inhibition of BzATP-induced ethidium uptake

J Med Chem 52: 3123-41 (2009)


Article DOI: 10.1021/jm801528x
BindingDB Entry DOI: 10.7270/Q2251KDR
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50410955
PNG
(A-438079 | CHEMBL377219)
Show SMILES Clc1cccc(-c2nnnn2Cc2cccnc2)c1Cl
Show InChI InChI=1S/C13H9Cl2N5/c14-11-5-1-4-10(12(11)15)13-17-18-19-20(13)8-9-3-2-6-16-7-9/h1-7H,8H2
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n/an/a 126n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7 receptor in human THP1 cells assessed as inhibition of BzATP-induced ethidium uptake

J Med Chem 52: 3123-41 (2009)


Article DOI: 10.1021/jm801528x
BindingDB Entry DOI: 10.7270/Q2251KDR
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50414318
PNG
(CHEMBL131543)
Show SMILES Clc1ccc(cc1)C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:10:11:14:17.18.16,THB:19:11:14:17.18.16,19:17:11.20.12:14,16:17:12:15.20.14,16:15:12:17.19.18|
Show InChI InChI=1S/C18H22ClNO/c19-16-3-1-15(2-4-16)17(21)20-11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7 receptor in human THP1 cells assessed as inhibition of BzATP-induced ethidium uptake

J Med Chem 52: 3123-41 (2009)


Article DOI: 10.1021/jm801528x
BindingDB Entry DOI: 10.7270/Q2251KDR
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50414320
PNG
(CHEMBL407751)
Show SMILES Clc1ccccc1C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:13:14:18:12.11.17,THB:13:12:18:14.19.15,15:16:11:14.19.13,15:14:11:16.18.17|
Show InChI InChI=1S/C17H20ClNO/c18-15-4-2-1-3-14(15)16(20)19-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7 receptor in human THP1 cells assessed as inhibition of BzATP-induced ethidium uptake

J Med Chem 52: 3123-41 (2009)


Article DOI: 10.1021/jm801528x
BindingDB Entry DOI: 10.7270/Q2251KDR
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50414328
PNG
(CHEMBL339140)
Show SMILES Clc1ccccc1NC(=O)CC12CC3CC(CC(C3)C1)C2 |TLB:20:11:18:15.14.16,THB:20:15:11.12.19:18,16:17:12:15.20.14,16:15:12:17.19.18|
Show InChI InChI=1S/C18H22ClNO/c19-15-3-1-2-4-16(15)20-17(21)11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H,20,21)
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n/an/a 501n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7 receptor in human THP1 cells assessed as inhibition of BzATP-induced ethidium uptake

J Med Chem 52: 3123-41 (2009)


Article DOI: 10.1021/jm801528x
BindingDB Entry DOI: 10.7270/Q2251KDR
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50414335
PNG
(CHEMBL368431)
Show SMILES N1[C@H]([C@H](N=C1c1ccccc1)c1ccccc1)c1ccccc1 |c:3|
Show InChI InChI=1S/C21H18N2/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18/h1-15,19-20H,(H,22,23)/t19-,20+
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n/an/a 3.98E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in human U373 cells assessed as inhibition of BzATP-induced Yo-Pro uptake

J Med Chem 52: 3123-41 (2009)


Article DOI: 10.1021/jm801528x
BindingDB Entry DOI: 10.7270/Q2251KDR
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))		BDBM50414317
PNG
(CHEMBL560222)
Show SMILES CC1(C)C2CCC(C2)(C(=O)NNc2ccccc2)C1=C |THB:19:18:4.5:7|
Show InChI InChI=1S/C17H22N2O/c1-12-16(2,3)13-9-10-17(12,11-13)15(20)19-18-14-7-5-4-6-8-14/h4-8,13,18H,1,9-11H2,2-3H3,(H,19,20)
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n/an/a 50.1n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Activity at rat P2X7 receptor expressed in HEK cells assessed as effect on BzATP-induced ethidium uptake

J Med Chem 52: 3123-41 (2009)


Article DOI: 10.1021/jm801528x
BindingDB Entry DOI: 10.7270/Q2251KDR
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))		BDBM50410955
PNG
(A-438079 | CHEMBL377219)
Show SMILES Clc1cccc(-c2nnnn2Cc2cccnc2)c1Cl
Show InChI InChI=1S/C13H9Cl2N5/c14-11-5-1-4-10(12(11)15)13-17-18-19-20(13)8-9-3-2-6-16-7-9/h1-7H,8H2
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n/an/a 316n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Activity at rat P2X7 receptor expressed in HEK cells assessed as effect on BzATP-induced ethidium uptake

J Med Chem 52: 3123-41 (2009)


Article DOI: 10.1021/jm801528x
BindingDB Entry DOI: 10.7270/Q2251KDR
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))		BDBM50416605
PNG
(CHEMBL1222602)
Show SMILES CN(C(=O)c1cc(Cl)c(=O)n(Cc2c(Cl)cccc2Cl)c1)c1ccccc1
Show InChI InChI=1S/C20H15Cl3N2O2/c1-24(14-6-3-2-4-7-14)19(26)13-10-18(23)20(27)25(11-13)12-15-16(21)8-5-9-17(15)22/h2-11H,12H2,1H3
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n/an/a 316n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of rat P2X7 receptor by ethidium bromide release assay

Bioorg Med Chem Lett 20: 5080-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.033
BindingDB Entry DOI: 10.7270/Q289173T
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50416605
PNG
(CHEMBL1222602)
Show SMILES CN(C(=O)c1cc(Cl)c(=O)n(Cc2c(Cl)cccc2Cl)c1)c1ccccc1
Show InChI InChI=1S/C20H15Cl3N2O2/c1-24(14-6-3-2-4-7-14)19(26)13-10-18(23)20(27)25(11-13)12-15-16(21)8-5-9-17(15)22/h2-11H,12H2,1H3
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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 by ethidium bromide release assay

Bioorg Med Chem Lett 20: 5080-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.033
BindingDB Entry DOI: 10.7270/Q289173T
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50410955
PNG
(A-438079 | CHEMBL377219)
Show SMILES Clc1cccc(-c2nnnn2Cc2cccnc2)c1Cl
Show InChI InChI=1S/C13H9Cl2N5/c14-11-5-1-4-10(12(11)15)13-17-18-19-20(13)8-9-3-2-6-16-7-9/h1-7H,8H2
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n/an/a 300n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor in expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake

Eur J Med Chem 151: 462-481 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.023
BindingDB Entry DOI: 10.7270/Q2S75JWB
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50404085
PNG
(CHEMBL336619)
Show SMILES Clc1ccccc1C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:18:13:20:17.19.16,18:17:20:13.12.14,THB:16:17:12:15.20.14,16:15:12:17.19.18|
Show InChI InChI=1S/C18H22ClNO/c19-16-4-2-1-3-15(16)17(21)20-11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H,20,21)
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n/an/a 7.90n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7 receptor (unknown origin)

Bioorg Med Chem 22: 54-88 (2014)


Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50404074
PNG
(CHEMBL337873)
Show SMILES Clc1ccc(C(=O)NCC23CC4CC(C2)CC(CNC(=O)c2ccc(Cl)cc2Cl)(C4)C3)c(Cl)c1 |TLB:14:9:29:13.15.12,12:13:30:11.10.29,12:11:30:13.15.14,THB:14:13:9.30.10:29|
Show InChI InChI=1S/C26H26Cl4N2O2/c27-17-1-3-19(21(29)6-17)23(33)31-13-25-8-15-5-16(9-25)11-26(10-15,12-25)14-32-24(34)20-4-2-18(28)7-22(20)30/h1-4,6-7,15-16H,5,8-14H2,(H,31,33)(H,32,34)
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n/an/a 126n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7 receptor (unknown origin)

Bioorg Med Chem 22: 54-88 (2014)


Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50410955
PNG
(A-438079 | CHEMBL377219)
Show SMILES Clc1cccc(-c2nnnn2Cc2cccnc2)c1Cl
Show InChI InChI=1S/C13H9Cl2N5/c14-11-5-1-4-10(12(11)15)13-17-18-19-20(13)8-9-3-2-6-16-7-9/h1-7H,8H2
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n/an/a 2.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by F...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))		BDBM50410955
PNG
(A-438079 | CHEMBL377219)
Show SMILES Clc1cccc(-c2nnnn2Cc2cccnc2)c1Cl
Show InChI InChI=1S/C13H9Cl2N5/c14-11-5-1-4-10(12(11)15)13-17-18-19-20(13)8-9-3-2-6-16-7-9/h1-7H,8H2
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n/an/a 910n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at rat P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by FLI...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Mus musculus)		BDBM50410955
PNG
(A-438079 | CHEMBL377219)
Show SMILES Clc1cccc(-c2nnnn2Cc2cccnc2)c1Cl
Show InChI InChI=1S/C13H9Cl2N5/c14-11-5-1-4-10(12(11)15)13-17-18-19-20(13)8-9-3-2-6-16-7-9/h1-7H,8H2
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n/an/a 2.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at mouse P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by F...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))		BDBM50404070
PNG
(CHEMBL338117)
Show SMILES Oc1csc(=O)n1C(CCc1ccncc1)COc1ccc(cc1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C24H21N3O5S/c28-23-16-33-24(29)26(23)21(7-4-17-10-12-25-13-11-17)15-32-22-8-5-18(6-9-22)19-2-1-3-20(14-19)27(30)31/h1-3,5-6,8-14,16,21,28H,4,7,15H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of rat P2X7 receptor

Bioorg Med Chem Lett 25: 3164-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.001
BindingDB Entry DOI: 10.7270/Q22N5427
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50410955
PNG
(A-438079 | CHEMBL377219)
Show SMILES Clc1cccc(-c2nnnn2Cc2cccnc2)c1Cl
Show InChI InChI=1S/C13H9Cl2N5/c14-11-5-1-4-10(12(11)15)13-17-18-19-20(13)8-9-3-2-6-16-7-9/h1-7H,8H2
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n/an/a 123n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells assessed as inhibition of benzoylbenzoic ATP-induced calcium product...

Bioorg Med Chem Lett 21: 3297-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.024
BindingDB Entry DOI: 10.7270/Q2FJ2J10
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))		BDBM50410955
PNG
(A-438079 | CHEMBL377219)
Show SMILES Clc1cccc(-c2nnnn2Cc2cccnc2)c1Cl
Show InChI InChI=1S/C13H9Cl2N5/c14-11-5-1-4-10(12(11)15)13-17-18-19-20(13)8-9-3-2-6-16-7-9/h1-7H,8H2
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n/an/a 309n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X7 receptor expressed in HEK293 cells assessed as inhibition of benzoylbenzoic ATP-induced calcium productio...

Bioorg Med Chem Lett 21: 3297-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.024
BindingDB Entry DOI: 10.7270/Q2FJ2J10
More data for this
Ligand-Target Pair