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PubMed code 20934331

Compile data set for download or QSAR
Found 23 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))		BDBM50417280
PNG
(CHEMBL1271548)
Show SMILES CN1C[C@H](N(C)C1=O)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C14H15ClF3N3O2/c1-20-7-10(21(2)13(20)23)12(22)19-6-8-4-3-5-9(11(8)15)14(16,17)18/h3-5,10H,6-7H2,1-2H3,(H,19,22)/t10-/m0/s1
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n/an/a 0.631n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay

Bioorg Med Chem Lett 20: 6370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.101
BindingDB Entry DOI: 10.7270/Q2NC62GP
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50417274
PNG
(CHEMBL1269248)
Show SMILES CN1C[C@H](N(C)C1=O)C(=O)NCc1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C13H15Cl2N3O2/c1-17-7-11(18(2)13(17)20)12(19)16-6-8-3-4-9(14)5-10(8)15/h3-5,11H,6-7H2,1-2H3,(H,16,19)/t11-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay

Bioorg Med Chem Lett 20: 6370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.101
BindingDB Entry DOI: 10.7270/Q2NC62GP
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50417273
PNG
(CHEMBL1271885)
Show SMILES CN1[C@@H](CN(C1=O)c1cn(C)cn1)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C17H17ClF3N5O2/c1-24-8-13(23-9-24)26-7-12(25(2)16(26)28)15(27)22-6-10-4-3-5-11(14(10)18)17(19,20)21/h3-5,8-9,12H,6-7H2,1-2H3,(H,22,27)/t12-/m0/s1
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n/an/a 2.51n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay

Bioorg Med Chem Lett 20: 6370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.101
BindingDB Entry DOI: 10.7270/Q2NC62GP
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 3.16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay

Bioorg Med Chem Lett 20: 6370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.101
BindingDB Entry DOI: 10.7270/Q2NC62GP
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50417272
PNG
(CHEMBL1271604)
Show SMILES CN1[C@@H](CNC1=O)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C13H13ClF3N3O2/c1-20-9(6-19-12(20)22)11(21)18-5-7-3-2-4-8(10(7)14)13(15,16)17/h2-4,9H,5-6H2,1H3,(H,18,21)(H,19,22)/t9-/m0/s1
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n/an/a 3.98n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay

Bioorg Med Chem Lett 20: 6370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.101
BindingDB Entry DOI: 10.7270/Q2NC62GP
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50417278
PNG
(CHEMBL1271767)
Show SMILES CN1[C@@H](CC(F)(F)C1=O)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C14H12ClF5N2O2/c1-22-9(5-13(16,17)12(22)24)11(23)21-6-7-3-2-4-8(10(7)15)14(18,19)20/h2-4,9H,5-6H2,1H3,(H,21,23)/t9-/m0/s1
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n/an/a 3.98n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay

Bioorg Med Chem Lett 20: 6370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.101
BindingDB Entry DOI: 10.7270/Q2NC62GP
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50417279
PNG
(CHEMBL1271884)
Show SMILES CN1[C@@H](CN(C1=O)c1nccn1C)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C17H17ClF3N5O2/c1-24-7-6-22-15(24)26-9-12(25(2)16(26)28)14(27)23-8-10-4-3-5-11(13(10)18)17(19,20)21/h3-7,12H,8-9H2,1-2H3,(H,23,27)/t12-/m0/s1
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n/an/a 3.98n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay

Bioorg Med Chem Lett 20: 6370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.101
BindingDB Entry DOI: 10.7270/Q2NC62GP
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50417271
PNG
(CHEMBL1271769)
Show SMILES CN1[C@@H](COCC1=O)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C14H14ClF3N2O3/c1-20-10(6-23-7-11(20)21)13(22)19-5-8-3-2-4-9(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 3.98n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay

Bioorg Med Chem Lett 20: 6370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.101
BindingDB Entry DOI: 10.7270/Q2NC62GP
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50417270
PNG
(CHEMBL1271656)
Show SMILES CN1[C@@H](CN(C1=O)c1cccnc1C)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C19H18ClF3N4O2/c1-11-14(7-4-8-24-11)27-10-15(26(2)18(27)29)17(28)25-9-12-5-3-6-13(16(12)20)19(21,22)23/h3-8,15H,9-10H2,1-2H3,(H,25,28)/t15-/m0/s1
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n/an/a 5.01n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay

Bioorg Med Chem Lett 20: 6370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.101
BindingDB Entry DOI: 10.7270/Q2NC62GP
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50416383
PNG
(CHEMBL1210558)
Show SMILES Cc1n[nH]c(C)c1CC(=O)NCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C14H15Cl2N3O/c1-8-12(9(2)19-18-8)6-14(20)17-7-10-3-4-11(15)5-13(10)16/h3-5H,6-7H2,1-2H3,(H,17,20)(H,18,19)
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n/an/a 7.94n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay

Bioorg Med Chem Lett 20: 6370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.101
BindingDB Entry DOI: 10.7270/Q2NC62GP
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



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay

Bioorg Med Chem Lett 20: 6370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.101
BindingDB Entry DOI: 10.7270/Q2NC62GP
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50417269
PNG
(CHEMBL1269250)
Show SMILES CN1C[C@H](N(C)C1=O)C(=O)NCc1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C13H15Cl2N3O2/c1-17-7-10(18(2)13(17)20)12(19)16-6-8-4-3-5-9(14)11(8)15/h3-5,10H,6-7H2,1-2H3,(H,16,19)/t10-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay

Bioorg Med Chem Lett 20: 6370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.101
BindingDB Entry DOI: 10.7270/Q2NC62GP
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50417268
PNG
(CHEMBL1271826)
Show SMILES CN1[C@@H](CN(C1=O)c1ccnc(C)c1)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C19H18ClF3N4O2/c1-11-8-13(6-7-24-11)27-10-15(26(2)18(27)29)17(28)25-9-12-4-3-5-14(16(12)20)19(21,22)23/h3-8,15H,9-10H2,1-2H3,(H,25,28)/t15-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay

Bioorg Med Chem Lett 20: 6370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.101
BindingDB Entry DOI: 10.7270/Q2NC62GP
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



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay

Bioorg Med Chem Lett 20: 6370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.101
BindingDB Entry DOI: 10.7270/Q2NC62GP
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 15.8n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay

Bioorg Med Chem Lett 20: 6370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.101
BindingDB Entry DOI: 10.7270/Q2NC62GP
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 25.1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay

Bioorg Med Chem Lett 20: 6370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.101
BindingDB Entry DOI: 10.7270/Q2NC62GP
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50417266
PNG
(CHEMBL1271655)
Show SMILES CN1[C@@H](CN(CCN2CCOCC2)C1=O)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C19H24ClF3N4O3/c1-25-15(12-27(18(25)29)6-5-26-7-9-30-10-8-26)17(28)24-11-13-3-2-4-14(16(13)20)19(21,22)23/h2-4,15H,5-12H2,1H3,(H,24,28)/t15-/m0/s1
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n/an/a 25.1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay

Bioorg Med Chem Lett 20: 6370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.101
BindingDB Entry DOI: 10.7270/Q2NC62GP
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50417276
PNG
(CHEMBL1269330)
Show SMILES CN1[C@@H](CNC1=O)C(=O)NCc1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C12H13Cl2N3O2/c1-17-9(6-16-12(17)19)11(18)15-5-7-3-2-4-8(13)10(7)14/h2-4,9H,5-6H2,1H3,(H,15,18)(H,16,19)/t9-/m0/s1
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n/an/a 25.1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay

Bioorg Med Chem Lett 20: 6370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.101
BindingDB Entry DOI: 10.7270/Q2NC62GP
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50417264
PNG
(CHEMBL1271605)
Show SMILES CN1[C@@H](CN(C2CCN(C)CC2)C1=O)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C19H24ClF3N4O2/c1-25-8-6-13(7-9-25)27-11-15(26(2)18(27)29)17(28)24-10-12-4-3-5-14(16(12)20)19(21,22)23/h3-5,13,15H,6-11H2,1-2H3,(H,24,28)/t15-/m0/s1
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n/an/a 31.6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay

Bioorg Med Chem Lett 20: 6370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.101
BindingDB Entry DOI: 10.7270/Q2NC62GP
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))		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 63.1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X7 receptor

Bioorg Med Chem Lett 20: 6370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.101
BindingDB Entry DOI: 10.7270/Q2NC62GP
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50417263
PNG
(CHEMBL1271707)
Show SMILES CN1[C@@H](CN(C1=O)c1cccc(C)n1)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C19H18ClF3N4O2/c1-11-5-3-8-15(25-11)27-10-14(26(2)18(27)29)17(28)24-9-12-6-4-7-13(16(12)20)19(21,22)23/h3-8,14H,9-10H2,1-2H3,(H,24,28)/t14-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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n/an/a 79.4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay

Bioorg Med Chem Lett 20: 6370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.101
BindingDB Entry DOI: 10.7270/Q2NC62GP
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))		BDBM50416383
PNG
(CHEMBL1210558)
Show SMILES Cc1n[nH]c(C)c1CC(=O)NCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C14H15Cl2N3O/c1-8-12(9(2)19-18-8)6-14(20)17-7-10-3-4-11(15)5-13(10)16/h3-5H,6-7H2,1-2H3,(H,17,20)(H,18,19)
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n/an/a 79.4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X7 receptor

Bioorg Med Chem Lett 20: 6370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.101
BindingDB Entry DOI: 10.7270/Q2NC62GP
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))		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
PDB

KEGG

UniProtKB/SwissProt

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MCE
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PubMed
n/an/a 251n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X7 receptor

Bioorg Med Chem Lett 20: 6370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.101
BindingDB Entry DOI: 10.7270/Q2NC62GP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%