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PubMed code 18272366

Compile data set for download or QSAR
Found 74 hits of Enzyme Inhibition Constant Data   
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))		BDBM50411886
PNG
(CHEMBL401822)
Show SMILES Clc1cccc(c1Cl)-n1ncnc1NCc1cccnc1N1CCC1
Show InChI InChI=1S/C17H16Cl2N6/c18-13-5-1-6-14(15(13)19)25-17(22-11-23-25)21-10-12-4-2-7-20-16(12)24-8-3-9-24/h1-2,4-7,11H,3,8-10H2,(H,21,22,23)
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n/an/a 9.12n/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


(Homo sapiens (Human))		BDBM50411880
PNG
(CHEMBL402132)
Show SMILES Clc1cccc(c1Cl)-n1cnnc1NCc1cccnc1-c1ccsc1
Show InChI InChI=1S/C18H13Cl2N5S/c19-14-4-1-5-15(16(14)20)25-11-23-24-18(25)22-9-12-3-2-7-21-17(12)13-6-8-26-10-13/h1-8,10-11H,9H2,(H,22,24)
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n/an/a 11.0n/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


(Homo sapiens (Human))		BDBM50411899
PNG
(CHEMBL430223)
Show SMILES Cc1ncccc1CNc1ncnn1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C15H13Cl2N5/c1-10-11(4-3-7-18-10)8-19-15-20-9-21-22(15)13-6-2-5-12(16)14(13)17/h2-7,9H,8H2,1H3,(H,19,20,21)
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n/an/a 11.8n/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))		BDBM50411881
PNG
(CHEMBL271462)
Show SMILES Clc1cccc(c1Cl)-n1cnnc1NCc1cccnc1N1CCCC1
Show InChI InChI=1S/C18H18Cl2N6/c19-14-6-3-7-15(16(14)20)26-12-23-24-18(26)22-11-13-5-4-8-21-17(13)25-9-1-2-10-25/h3-8,12H,1-2,9-11H2,(H,22,24)
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n/an/a 12.0n/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))		BDBM50411885
PNG
(CHEMBL257045)
Show SMILES Clc1cccc(c1Cl)-n1ncnc1NCc1cccnc1N1CCCC1
Show InChI InChI=1S/C18H18Cl2N6/c19-14-6-3-7-15(16(14)20)26-18(23-12-24-26)22-11-13-5-4-8-21-17(13)25-9-1-2-10-25/h3-8,12H,1-2,9-11H2,(H,22,23,24)
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n/an/a 12.6n/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


(Homo sapiens (Human))		BDBM50411898
PNG
(CHEMBL258111)
Show SMILES Clc1cccc(c1Cl)-n1ncnc1NCc1cccnc1Oc1cccnc1
Show InChI InChI=1S/C19H14Cl2N6O/c20-15-6-1-7-16(17(15)21)27-19(25-12-26-27)24-10-13-4-2-9-23-18(13)28-14-5-3-8-22-11-14/h1-9,11-12H,10H2,(H,24,25,26)
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n/an/a 13.8n/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


(Homo sapiens (Human))		BDBM50411881
PNG
(CHEMBL271462)
Show SMILES Clc1cccc(c1Cl)-n1cnnc1NCc1cccnc1N1CCCC1
Show InChI InChI=1S/C18H18Cl2N6/c19-14-6-3-7-15(16(14)20)26-12-23-24-18(26)22-11-13-5-4-8-21-17(13)25-9-1-2-10-25/h3-8,12H,1-2,9-11H2,(H,22,24)
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n/an/a 14.8n/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


(Homo sapiens (Human))		BDBM50411883
PNG
(CHEMBL257897)
Show SMILES Clc1cccc(c1Cl)-n1ncnc1NCc1cccnc1-c1ccsc1
Show InChI InChI=1S/C18H13Cl2N5S/c19-14-4-1-5-15(16(14)20)25-18(23-11-24-25)22-9-12-3-2-7-21-17(12)13-6-8-26-10-13/h1-8,10-11H,9H2,(H,22,23,24)
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n/an/a 15.1n/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


(Homo sapiens (Human))		BDBM50411877
PNG
(CHEMBL270678)
Show SMILES Cc1ccccc1Nc1ncnn1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C15H12Cl2N4/c1-10-5-2-3-7-12(10)20-15-18-9-19-21(15)13-8-4-6-11(16)14(13)17/h2-9H,1H3,(H,18,19,20)
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n/an/a 17.8n/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


(Homo sapiens (Human))		BDBM50411902
PNG
(CHEMBL403222)
Show SMILES CS(=O)(=O)c1ccccc1CNc1ncnn1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C16H14Cl2N4O2S/c1-25(23,24)14-8-3-2-5-11(14)9-19-16-20-10-21-22(16)13-7-4-6-12(17)15(13)18/h2-8,10H,9H2,1H3,(H,19,20,21)
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n/an/a 19.9n/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


(Homo sapiens (Human))		BDBM50411892
PNG
(CHEMBL402133)
Show SMILES Cc1ccccc1CNc1ncnn1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C16H14Cl2N4/c1-11-5-2-3-6-12(11)9-19-16-20-10-21-22(16)14-8-4-7-13(17)15(14)18/h2-8,10H,9H2,1H3,(H,19,20,21)
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n/an/a 20.9n/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))		BDBM50411886
PNG
(CHEMBL401822)
Show SMILES Clc1cccc(c1Cl)-n1ncnc1NCc1cccnc1N1CCC1
Show InChI InChI=1S/C17H16Cl2N6/c18-13-5-1-6-14(15(13)19)25-17(22-11-23-25)21-10-12-4-2-7-20-16(12)24-8-3-9-24/h1-2,4-7,11H,3,8-10H2,(H,21,22,23)
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n/an/a 25.7n/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))		BDBM50411884
PNG
(CHEMBL410039)
Show SMILES Clc1cccc(c1Cl)-n1ncnc1NCc1cccnc1N1CCOCC1
Show InChI InChI=1S/C18H18Cl2N6O/c19-14-4-1-5-15(16(14)20)26-18(23-12-24-26)22-11-13-3-2-6-21-17(13)25-7-9-27-10-8-25/h1-6,12H,7-11H2,(H,22,23,24)
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n/an/a 28.2n/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))		BDBM50411885
PNG
(CHEMBL257045)
Show SMILES Clc1cccc(c1Cl)-n1ncnc1NCc1cccnc1N1CCCC1
Show InChI InChI=1S/C18H18Cl2N6/c19-14-6-3-7-15(16(14)20)26-18(23-12-24-26)22-11-13-5-4-8-21-17(13)25-9-1-2-10-25/h3-8,12H,1-2,9-11H2,(H,22,23,24)
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n/an/a 28.2n/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))		BDBM50411897
PNG
(CHEMBL257523)
Show SMILES Cc1ncccc1CNc1nncn1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C15H13Cl2N5/c1-10-11(4-3-7-18-10)8-19-15-21-20-9-22(15)13-6-2-5-12(16)14(13)17/h2-7,9H,8H2,1H3,(H,19,21)
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n/an/a 28.8n/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


(Homo sapiens (Human))		BDBM50411896
PNG
(CHEMBL255614)
Show SMILES Clc1cccc(c1Cl)-n1cnnc1NCc1cccnc1Oc1cccnc1
Show InChI InChI=1S/C19H14Cl2N6O/c20-15-6-1-7-16(17(15)21)27-12-25-26-19(27)24-10-13-4-2-9-23-18(13)28-14-5-3-8-22-11-14/h1-9,11-12H,10H2,(H,24,26)
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n/an/a 30.9n/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


(Homo sapiens (Human))		BDBM50411890
PNG
(CHEMBL271030)
Show SMILES COc1cccc(CNc2ncnn2-c2cccc(Cl)c2Cl)c1OC
Show InChI InChI=1S/C17H16Cl2N4O2/c1-24-14-8-3-5-11(16(14)25-2)9-20-17-21-10-22-23(17)13-7-4-6-12(18)15(13)19/h3-8,10H,9H2,1-2H3,(H,20,21,22)
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n/an/a 30.9n/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


(Homo sapiens (Human))		BDBM50411895
PNG
(CHEMBL270438)
Show SMILES NC(=O)CN1CCCN(CC1)c1ncccc1CNc1nncn1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C21H24Cl2N8O/c22-16-5-1-6-17(19(16)23)31-14-27-28-21(31)26-12-15-4-2-7-25-20(15)30-9-3-8-29(10-11-30)13-18(24)32/h1-2,4-7,14H,3,8-13H2,(H2,24,32)(H,26,28)
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n/an/a 32.4n/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))		BDBM50411896
PNG
(CHEMBL255614)
Show SMILES Clc1cccc(c1Cl)-n1cnnc1NCc1cccnc1Oc1cccnc1
Show InChI InChI=1S/C19H14Cl2N6O/c20-15-6-1-7-16(17(15)21)27-12-25-26-19(27)24-10-13-4-2-9-23-18(13)28-14-5-3-8-22-11-14/h1-9,11-12H,10H2,(H,24,26)
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n/an/a 35.5n/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


(Rattus norvegicus (Rat))		BDBM50411880
PNG
(CHEMBL402132)
Show SMILES Clc1cccc(c1Cl)-n1cnnc1NCc1cccnc1-c1ccsc1
Show InChI InChI=1S/C18H13Cl2N5S/c19-14-4-1-5-15(16(14)20)25-11-23-24-18(25)22-9-12-3-2-7-21-17(12)13-6-8-26-10-13/h1-8,10-11H,9H2,(H,22,24)
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n/an/a 36.3n/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


(Rattus norvegicus (Rat))		BDBM50411902
PNG
(CHEMBL403222)
Show SMILES CS(=O)(=O)c1ccccc1CNc1ncnn1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C16H14Cl2N4O2S/c1-25(23,24)14-8-3-2-5-11(14)9-19-16-20-10-21-22(16)13-7-4-6-12(17)15(13)18/h2-8,10H,9H2,1H3,(H,19,20,21)
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n/an/a 39.8n/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))		BDBM50411879
PNG
(CHEMBL402411)
Show SMILES Cc1nnc(NCc2cccnc2-c2ccsc2)n1-c1cccc(Cl)c1Cl |(12.13,-22.48,;13.28,-23.5,;14.78,-23.17,;15.56,-24.5,;14.53,-25.65,;14.86,-27.16,;16.21,-27.9,;17.56,-27.15,;17.59,-25.62,;18.94,-24.88,;20.26,-25.68,;20.22,-27.22,;18.87,-27.96,;18.84,-29.5,;20.06,-30.44,;19.54,-31.89,;18,-31.85,;17.57,-30.37,;13.12,-25.03,;11.79,-25.8,;11.8,-27.36,;10.45,-28.13,;9.12,-27.36,;9.13,-25.81,;7.79,-25.04,;10.45,-25.04,;10.44,-23.5,)|
Show InChI InChI=1S/C19H15Cl2N5S/c1-12-24-25-19(26(12)16-6-2-5-15(20)17(16)21)23-10-13-4-3-8-22-18(13)14-7-9-27-11-14/h2-9,11H,10H2,1H3,(H,23,25)
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n/an/a 39.8n/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))		BDBM50411879
PNG
(CHEMBL402411)
Show SMILES Cc1nnc(NCc2cccnc2-c2ccsc2)n1-c1cccc(Cl)c1Cl |(12.13,-22.48,;13.28,-23.5,;14.78,-23.17,;15.56,-24.5,;14.53,-25.65,;14.86,-27.16,;16.21,-27.9,;17.56,-27.15,;17.59,-25.62,;18.94,-24.88,;20.26,-25.68,;20.22,-27.22,;18.87,-27.96,;18.84,-29.5,;20.06,-30.44,;19.54,-31.89,;18,-31.85,;17.57,-30.37,;13.12,-25.03,;11.79,-25.8,;11.8,-27.36,;10.45,-28.13,;9.12,-27.36,;9.13,-25.81,;7.79,-25.04,;10.45,-25.04,;10.44,-23.5,)|
Show InChI InChI=1S/C19H15Cl2N5S/c1-12-24-25-19(26(12)16-6-2-5-15(20)17(16)21)23-10-13-4-3-8-22-18(13)14-7-9-27-11-14/h2-9,11H,10H2,1H3,(H,23,25)
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n/an/a 45.7n/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))		BDBM50411876
PNG
(CHEMBL270679)
Show SMILES CCc1ccccc1Nc1ncnn1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C16H14Cl2N4/c1-2-11-6-3-4-8-13(11)21-16-19-10-20-22(16)14-9-5-7-12(17)15(14)18/h3-10H,2H2,1H3,(H,19,20,21)
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n/an/a 45.7n/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


(Homo sapiens (Human))		BDBM50411867
PNG
(CHEMBL256883)
Show SMILES CCOc1ccccc1CNc1ncnn1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C17H16Cl2N4O/c1-2-24-15-9-4-3-6-12(15)10-20-17-21-11-22-23(17)14-8-5-7-13(18)16(14)19/h3-9,11H,2,10H2,1H3,(H,20,21,22)
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n/an/a 45.7n/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


(Homo sapiens (Human))		BDBM50411889
PNG
(CHEMBL401531)
Show SMILES Clc1cccc(c1Cl)-n1ncnc1NCc1ccccc1Oc1cccnc1
Show InChI InChI=1S/C20H15Cl2N5O/c21-16-7-3-8-17(19(16)22)27-20(25-13-26-27)24-11-14-5-1-2-9-18(14)28-15-6-4-10-23-12-15/h1-10,12-13H,11H2,(H,24,25,26)
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n/an/a 46.8n/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


(Homo sapiens (Human))		BDBM50411872
PNG
(CHEMBL271679)
Show SMILES Clc1cccc(c1Cl)-n1ncnc1NCc1ccccc1
Show InChI InChI=1S/C15H12Cl2N4/c16-12-7-4-8-13(14(12)17)21-15(19-10-20-21)18-9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,18,19,20)
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n/an/a 47.9n/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


(Homo sapiens (Human))		BDBM50411866
PNG
(CHEMBL403763)
Show SMILES CSc1ccccc1CNc1ncnn1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C16H14Cl2N4S/c1-23-14-8-3-2-5-11(14)9-19-16-20-10-21-22(16)13-7-4-6-12(17)15(13)18/h2-8,10H,9H2,1H3,(H,19,20,21)
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n/an/a 49.0n/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


(Homo sapiens (Human))		BDBM50411869
PNG
(CHEMBL402412)
Show SMILES COc1ccccc1CNc1ncnn1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C16H14Cl2N4O/c1-23-14-8-3-2-5-11(14)9-19-16-20-10-21-22(16)13-7-4-6-12(17)15(13)18/h2-8,10H,9H2,1H3,(H,19,20,21)
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n/an/a 57.5n/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


(Homo sapiens (Human))		BDBM50411900
PNG
(CHEMBL272933)
Show SMILES Cc1cccc(CNc2ncnn2-c2cccc(Cl)c2Cl)c1C
Show InChI InChI=1S/C17H16Cl2N4/c1-11-5-3-6-13(12(11)2)9-20-17-21-10-22-23(17)15-8-4-7-14(18)16(15)19/h3-8,10H,9H2,1-2H3,(H,20,21,22)
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n/an/a 67.6n/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


(Homo sapiens (Human))		BDBM50411901
PNG
(CHEMBL270436)
Show SMILES CC(C)N1CCCN(CC1)c1ncccc1CNc1nncn1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C22H27Cl2N7/c1-16(2)29-10-5-11-30(13-12-29)21-17(6-4-9-25-21)14-26-22-28-27-15-31(22)19-8-3-7-18(23)20(19)24/h3-4,6-9,15-16H,5,10-14H2,1-2H3,(H,26,28)
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n/an/a 67.6n/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


(Homo sapiens (Human))		BDBM50411878
PNG
(CHEMBL245754)
Show SMILES Cc1ccccc1Cn1cnnc1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C16H13Cl2N3/c1-11-5-2-3-6-12(11)9-21-10-19-20-16(21)13-7-4-8-14(17)15(13)18/h2-8,10H,9H2,1H3
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n/an/a 77.6n/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


(Homo sapiens (Human))		BDBM50411875
PNG
(CHEMBL255638)
Show SMILES COc1ccccc1Nc1ncnn1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C15H12Cl2N4O/c1-22-13-8-3-2-6-11(13)20-15-18-9-19-21(15)12-7-4-5-10(16)14(12)17/h2-9H,1H3,(H,18,19,20)
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n/an/a 102n/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


(Homo sapiens (Human))		BDBM50411888
PNG
(CHEMBL270421)
Show SMILES Clc1cccc(c1Cl)-n1ncnc1NCc1cccnc1
Show InChI InChI=1S/C14H11Cl2N5/c15-11-4-1-5-12(13(11)16)21-14(19-9-20-21)18-8-10-3-2-6-17-7-10/h1-7,9H,8H2,(H,18,19,20)
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n/an/a 117n/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


(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))		BDBM50411898
PNG
(CHEMBL258111)
Show SMILES Clc1cccc(c1Cl)-n1ncnc1NCc1cccnc1Oc1cccnc1
Show InChI InChI=1S/C19H14Cl2N6O/c20-15-6-1-7-16(17(15)21)27-19(25-12-26-27)24-10-13-4-2-9-23-18(13)28-14-5-3-8-22-11-14/h1-9,11-12H,10H2,(H,24,25,26)
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n/an/a 129n/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


(Rattus norvegicus (Rat))		BDBM50411890
PNG
(CHEMBL271030)
Show SMILES COc1cccc(CNc2ncnn2-c2cccc(Cl)c2Cl)c1OC
Show InChI InChI=1S/C17H16Cl2N4O2/c1-24-14-8-3-5-11(16(14)25-2)9-20-17-21-10-22-23(17)13-7-4-6-12(18)15(13)19/h3-8,10H,9H2,1-2H3,(H,20,21,22)
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n/an/a 135n/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


(Rattus norvegicus (Rat))		BDBM50411883
PNG
(CHEMBL257897)
Show SMILES Clc1cccc(c1Cl)-n1ncnc1NCc1cccnc1-c1ccsc1
Show InChI InChI=1S/C18H13Cl2N5S/c19-14-4-1-5-15(16(14)20)25-18(23-11-24-25)22-9-12-3-2-7-21-17(12)13-6-8-26-10-13/h1-8,10-11H,9H2,(H,22,23,24)
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n/an/a 138n/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))		BDBM50411871
PNG
(CHEMBL271464)
Show SMILES Cc1cccc(CNc2ncnn2-c2cccc(Cl)c2Cl)c1
Show InChI InChI=1S/C16H14Cl2N4/c1-11-4-2-5-12(8-11)9-19-16-20-10-21-22(16)14-7-3-6-13(17)15(14)18/h2-8,10H,9H2,1H3,(H,19,20,21)
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n/an/a 155n/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))		BDBM50411889
PNG
(CHEMBL401531)
Show SMILES Clc1cccc(c1Cl)-n1ncnc1NCc1ccccc1Oc1cccnc1
Show InChI InChI=1S/C20H15Cl2N5O/c21-16-7-3-8-17(19(16)22)27-20(25-13-26-27)24-11-14-5-1-2-9-18(14)28-15-6-4-10-23-12-15/h1-10,12-13H,11H2,(H,24,25,26)
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n/an/a 158n/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


(Rattus norvegicus (Rat))		BDBM50411897
PNG
(CHEMBL257523)
Show SMILES Cc1ncccc1CNc1nncn1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C15H13Cl2N5/c1-10-11(4-3-7-18-10)8-19-15-21-20-9-22(15)13-6-2-5-12(16)14(13)17/h2-7,9H,8H2,1H3,(H,19,21)
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n/an/a 178n/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


(Rattus norvegicus (Rat))		BDBM50411892
PNG
(CHEMBL402133)
Show SMILES Cc1ccccc1CNc1ncnn1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C16H14Cl2N4/c1-11-5-2-3-6-12(11)9-19-16-20-10-21-22(16)14-8-4-7-13(17)15(14)18/h2-8,10H,9H2,1H3,(H,19,20,21)
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n/an/a 200n/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


(Rattus norvegicus (Rat))		BDBM50411872
PNG
(CHEMBL271679)
Show SMILES Clc1cccc(c1Cl)-n1ncnc1NCc1ccccc1
Show InChI InChI=1S/C15H12Cl2N4/c16-12-7-4-8-13(14(12)17)21-15(19-10-20-21)18-9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,18,19,20)
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n/an/a 209n/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


(Rattus norvegicus (Rat))		BDBM50411878
PNG
(CHEMBL245754)
Show SMILES Cc1ccccc1Cn1cnnc1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C16H13Cl2N3/c1-11-5-2-3-6-12(11)9-21-10-19-20-16(21)13-7-4-8-14(17)15(13)18/h2-8,10H,9H2,1H3
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n/an/a 209n/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


(Rattus norvegicus (Rat))		BDBM50411884
PNG
(CHEMBL410039)
Show SMILES Clc1cccc(c1Cl)-n1ncnc1NCc1cccnc1N1CCOCC1
Show InChI InChI=1S/C18H18Cl2N6O/c19-14-4-1-5-15(16(14)20)26-18(23-12-24-26)22-11-13-3-2-6-21-17(13)25-7-9-27-10-8-25/h1-6,12H,7-11H2,(H,22,23,24)
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n/an/a 214n/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


(Rattus norvegicus (Rat))		BDBM50411877
PNG
(CHEMBL270678)
Show SMILES Cc1ccccc1Nc1ncnn1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C15H12Cl2N4/c1-10-5-2-3-7-12(10)20-15-18-9-19-21(15)13-8-4-6-11(16)14(13)17/h2-9H,1H3,(H,18,19,20)
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n/an/a 240n/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


(Rattus norvegicus (Rat))		BDBM50411866
PNG
(CHEMBL403763)
Show SMILES CSc1ccccc1CNc1ncnn1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C16H14Cl2N4S/c1-23-14-8-3-2-5-11(14)9-19-16-20-10-21-22(16)13-7-4-6-12(17)15(13)18/h2-8,10H,9H2,1H3,(H,19,20,21)
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n/an/a 288n/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))		BDBM50411891
PNG
(CHEMBL403907)
Show SMILES COc1cccc(CNc2ncnn2-c2cccc(Cl)c2Cl)c1
Show InChI InChI=1S/C16H14Cl2N4O/c1-23-12-5-2-4-11(8-12)9-19-16-20-10-21-22(16)14-7-3-6-13(17)15(14)18/h2-8,10H,9H2,1H3,(H,19,20,21)
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n/an/a 288n/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))		BDBM50411876
PNG
(CHEMBL270679)
Show SMILES CCc1ccccc1Nc1ncnn1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C16H14Cl2N4/c1-2-11-6-3-4-8-13(11)21-16-19-10-20-22(16)14-9-5-7-12(17)15(14)18/h3-10H,2H2,1H3,(H,19,20,21)
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n/an/a 288n/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


(Rattus norvegicus (Rat))		BDBM50411899
PNG
(CHEMBL430223)
Show SMILES Cc1ncccc1CNc1ncnn1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C15H13Cl2N5/c1-10-11(4-3-7-18-10)8-19-15-20-9-21-22(15)13-6-2-5-12(16)14(13)17/h2-7,9H,8H2,1H3,(H,19,20,21)
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n/an/a 295n/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


(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))		BDBM50411882
PNG
(CHEMBL404091)
Show SMILES Clc1cccc(c1Cl)-n1cnnc1NCc1cccnc1
Show InChI InChI=1S/C14H11Cl2N5/c15-11-4-1-5-12(13(11)16)21-9-19-20-14(21)18-8-10-3-2-6-17-7-10/h1-7,9H,8H2,(H,18,20)
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n/an/a 355n/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


(Homo sapiens (Human))		BDBM50411894
PNG
(CHEMBL270019)
Show SMILES Clc1cccc(c1Cl)-n1ncnc1Nc1ccccc1
Show InChI InChI=1S/C14H10Cl2N4/c15-11-7-4-8-12(13(11)16)20-14(17-9-18-20)19-10-5-2-1-3-6-10/h1-9H,(H,17,18,19)
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n/an/a 363n/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


(Homo sapiens (Human))		BDBM50411870
PNG
(CHEMBL271602)
Show SMILES Cc1ccc(CNc2ncnn2-c2cccc(Cl)c2Cl)cc1
Show InChI InChI=1S/C16H14Cl2N4/c1-11-5-7-12(8-6-11)9-19-16-20-10-21-22(16)14-4-2-3-13(17)15(14)18/h2-8,10H,9H2,1H3,(H,19,20,21)
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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))		BDBM50411867
PNG
(CHEMBL256883)
Show SMILES CCOc1ccccc1CNc1ncnn1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C17H16Cl2N4O/c1-2-24-15-9-4-3-6-12(15)10-20-17-21-11-22-23(17)14-8-5-7-13(18)16(14)19/h3-9,11H,2,10H2,1H3,(H,20,21,22)
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n/an/a 490n/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))		BDBM50411874
PNG
(CHEMBL404339)
Show SMILES FC(F)(F)Oc1ccccc1Nc1ncnn1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C15H9Cl2F3N4O/c16-9-4-3-6-11(13(9)17)24-14(21-8-22-24)23-10-5-1-2-7-12(10)25-15(18,19)20/h1-8H,(H,21,22,23)
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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))		BDBM50411900
PNG
(CHEMBL272933)
Show SMILES Cc1cccc(CNc2ncnn2-c2cccc(Cl)c2Cl)c1C
Show InChI InChI=1S/C17H16Cl2N4/c1-11-5-3-6-13(12(11)2)9-20-17-21-10-22-23(17)15-8-4-7-14(18)16(15)19/h3-8,10H,9H2,1-2H3,(H,20,21,22)
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n/an/a 631n/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


(Rattus norvegicus (Rat))		BDBM50411869
PNG
(CHEMBL402412)
Show SMILES COc1ccccc1CNc1ncnn1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C16H14Cl2N4O/c1-23-14-8-3-2-5-11(14)9-19-16-20-10-21-22(16)13-7-4-6-12(17)15(13)18/h2-8,10H,9H2,1H3,(H,19,20,21)
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n/an/a 708n/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


(Rattus norvegicus (Rat))		BDBM50411871
PNG
(CHEMBL271464)
Show SMILES Cc1cccc(CNc2ncnn2-c2cccc(Cl)c2Cl)c1
Show InChI InChI=1S/C16H14Cl2N4/c1-11-4-2-5-12(8-11)9-19-16-20-10-21-22(16)14-7-3-6-13(17)15(14)18/h2-8,10H,9H2,1H3,(H,19,20,21)
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n/an/a 1.02E+3n/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


(Rattus norvegicus (Rat))		BDBM50411882
PNG
(CHEMBL404091)
Show SMILES Clc1cccc(c1Cl)-n1cnnc1NCc1cccnc1
Show InChI InChI=1S/C14H11Cl2N5/c15-11-4-1-5-12(13(11)16)21-9-19-20-14(21)18-8-10-3-2-6-17-7-10/h1-7,9H,8H2,(H,18,20)
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n/an/a 1.12E+3n/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


(Rattus norvegicus (Rat))		BDBM50411888
PNG
(CHEMBL270421)
Show SMILES Clc1cccc(c1Cl)-n1ncnc1NCc1cccnc1
Show InChI InChI=1S/C14H11Cl2N5/c15-11-4-1-5-12(13(11)16)21-14(19-9-20-21)18-8-10-3-2-6-17-7-10/h1-7,9H,8H2,(H,18,19,20)
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n/an/a 1.32E+3n/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


(Rattus norvegicus (Rat))		BDBM50411891
PNG
(CHEMBL403907)
Show SMILES COc1cccc(CNc2ncnn2-c2cccc(Cl)c2Cl)c1
Show InChI InChI=1S/C16H14Cl2N4O/c1-23-12-5-2-4-11(8-12)9-19-16-20-10-21-22(16)14-7-3-6-13(17)15(14)18/h2-8,10H,9H2,1H3,(H,19,20,21)
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n/an/a 1.38E+3n/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))		BDBM50411868
PNG
(CHEMBL409519)
Show SMILES COc1ccc(CNc2ncnn2-c2cccc(Cl)c2Cl)cc1
Show InChI InChI=1S/C16H14Cl2N4O/c1-23-12-7-5-11(6-8-12)9-19-16-20-10-21-22(16)14-4-2-3-13(17)15(14)18/h2-8,10H,9H2,1H3,(H,19,20,21)
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n/an/a 1.62E+3n/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


(Homo sapiens (Human))		BDBM50411893
PNG
(CHEMBL403105)
Show SMILES CCOc1ccccc1Nc1ncnn1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C16H14Cl2N4O/c1-2-23-14-9-4-3-7-12(14)21-16-19-10-20-22(16)13-8-5-6-11(17)15(13)18/h3-10H,2H2,1H3,(H,19,20,21)
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n/an/a 1.86E+3n/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))		BDBM50411875
PNG
(CHEMBL255638)
Show SMILES COc1ccccc1Nc1ncnn1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C15H12Cl2N4O/c1-22-13-8-3-2-6-11(13)20-15-18-9-19-21(15)12-7-4-5-10(16)14(12)17/h2-9H,1H3,(H,18,19,20)
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n/an/a 2.04E+3n/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))		BDBM50411873
PNG
(CHEMBL258112)
Show SMILES Clc1cccc(c1Cl)-n1ncnc1Nc1ccccc1N1CCOCC1
Show InChI InChI=1S/C18H17Cl2N5O/c19-13-4-3-7-16(17(13)20)25-18(21-12-22-25)23-14-5-1-2-6-15(14)24-8-10-26-11-9-24/h1-7,12H,8-11H2,(H,21,22,23)
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n/an/a 3.39E+3n/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))		BDBM50411894
PNG
(CHEMBL270019)
Show SMILES Clc1cccc(c1Cl)-n1ncnc1Nc1ccccc1
Show InChI InChI=1S/C14H10Cl2N4/c15-11-7-4-8-12(13(11)16)20-14(17-9-18-20)19-10-5-2-1-3-6-10/h1-9H,(H,17,18,19)
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n/an/a 3.89E+3n/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


(Rattus norvegicus (Rat))		BDBM50411873
PNG
(CHEMBL258112)
Show SMILES Clc1cccc(c1Cl)-n1ncnc1Nc1ccccc1N1CCOCC1
Show InChI InChI=1S/C18H17Cl2N5O/c19-13-4-3-7-16(17(13)20)25-18(21-12-22-25)23-14-5-1-2-6-15(14)24-8-10-26-11-9-24/h1-7,12H,8-11H2,(H,21,22,23)
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n/an/a 4.90E+3n/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


(Rattus norvegicus (Rat))		BDBM50411874
PNG
(CHEMBL404339)
Show SMILES FC(F)(F)Oc1ccccc1Nc1ncnn1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C15H9Cl2F3N4O/c16-9-4-3-6-11(13(9)17)24-14(21-8-22-24)23-10-5-1-2-7-12(10)25-15(18,19)20/h1-8H,(H,21,22,23)
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n/an/a 5.50E+3n/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


(Rattus norvegicus (Rat))		BDBM50411870
PNG
(CHEMBL271602)
Show SMILES Cc1ccc(CNc2ncnn2-c2cccc(Cl)c2Cl)cc1
Show InChI InChI=1S/C16H14Cl2N4/c1-11-5-7-12(8-6-11)9-19-16-20-10-21-22(16)14-4-2-3-13(17)15(14)18/h2-8,10H,9H2,1H3,(H,19,20,21)
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n/an/a 7.08E+3n/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


(Rattus norvegicus (Rat))		BDBM50411887
PNG
(CHEMBL257516)
Show SMILES Clc1cccc(c1Cl)-n1ncnc1NCc1ccncc1
Show InChI InChI=1S/C14H11Cl2N5/c15-11-2-1-3-12(13(11)16)21-14(19-9-20-21)18-8-10-4-6-17-7-5-10/h1-7,9H,8H2,(H,18,19,20)
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n/an/a>1.00E+4n/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))		BDBM50411887
PNG
(CHEMBL257516)
Show SMILES Clc1cccc(c1Cl)-n1ncnc1NCc1ccncc1
Show InChI InChI=1S/C14H11Cl2N5/c15-11-2-1-3-12(13(11)16)21-14(19-9-20-21)18-8-10-4-6-17-7-5-10/h1-7,9H,8H2,(H,18,19,20)
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n/an/a>1.00E+4n/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))		BDBM50411868
PNG
(CHEMBL409519)
Show SMILES COc1ccc(CNc2ncnn2-c2cccc(Cl)c2Cl)cc1
Show InChI InChI=1S/C16H14Cl2N4O/c1-23-12-7-5-11(6-8-12)9-19-16-20-10-21-22(16)14-4-2-3-13(17)15(14)18/h2-8,10H,9H2,1H3,(H,19,20,21)
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n/an/a 1.05E+4n/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


(Rattus norvegicus (Rat))		BDBM50411893
PNG
(CHEMBL403105)
Show SMILES CCOc1ccccc1Nc1ncnn1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C16H14Cl2N4O/c1-2-23-14-9-4-3-7-12(14)21-16-19-10-20-22(16)13-8-5-6-11(17)15(13)18/h3-10H,2H2,1H3,(H,19,20,21)
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n/an/a 1.10E+4n/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
* indicates data uncertainty>20%