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PubMed code 17482819

Compile data set for download or QSAR
Found 36 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))
BDBM50423270
PNG
(CHEMBL393241)
Show SMILES Clc1cccc(-c2nncn2[C@@H]2CCc3ccccc23)c1Cl
Show InChI InChI=1S/C17H13Cl2N3/c18-14-7-3-6-13(16(14)19)17-21-20-10-22(17)15-9-8-11-4-1-2-5-12(11)15/h1-7,10,15H,8-9H2/t15-/m1/s1
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n/an/a 19n/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


(Homo sapiens (Human))
BDBM50423276
PNG
(CHEMBL396587)
Show SMILES CSc1ccccc1Cn1cnnc1-c1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1S/C17H13ClF3N3S/c1-25-14-8-3-2-5-11(14)9-24-10-22-23-16(24)12-6-4-7-13(15(12)18)17(19,20)21/h2-8,10H,9H2,1H3
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n/an/a 27n/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


(Homo sapiens (Human))
BDBM50410952
PNG
(CHEMBL208560)
Show SMILES Clc1cccc(-c2nnnn2Cc2ccccc2)c1Cl
Show InChI InChI=1S/C14H10Cl2N4/c15-12-8-4-7-11(13(12)16)14-17-18-19-20(14)9-10-5-2-1-3-6-10/h1-8H,9H2
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n/an/a 40n/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


(Homo sapiens (Human))
BDBM50423267
PNG
(CHEMBL247586)
Show SMILES Cc1ccc(F)cc1Cn1cnnc1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C16H12Cl2FN3/c1-10-5-6-12(19)7-11(10)8-22-9-20-21-16(22)13-3-2-4-14(17)15(13)18/h2-7,9H,8H2,1H3
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n/an/a 48n/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


(Homo sapiens (Human))
BDBM50423280
PNG
(CHEMBL245561)
Show SMILES CSc1ccccc1Cn1cnnc1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C16H13Cl2N3S/c1-22-14-8-3-2-5-11(14)9-21-10-19-20-16(21)12-6-4-7-13(17)15(12)18/h2-8,10H,9H2,1H3
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n/an/a 49n/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


(Homo sapiens (Human))
BDBM50423285
PNG
(CHEMBL247782)
Show SMILES Fc1ccc(c(Cn2cnnc2-c2cccc(Cl)c2Cl)c1)C(F)(F)F
Show InChI InChI=1S/C16H9Cl2F4N3/c17-13-3-1-2-11(14(13)18)15-24-23-8-25(15)7-9-6-10(19)4-5-12(9)16(20,21)22/h1-6,8H,7H2
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n/an/a 49n/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


(Homo sapiens (Human))
BDBM50423272
PNG
(CHEMBL246578)
Show SMILES Clc1cccc(-c2nncn2[C@H]2CCc3ccccc23)c1Cl
Show InChI InChI=1S/C17H13Cl2N3/c18-14-7-3-6-13(16(14)19)17-21-20-10-22(17)15-9-8-11-4-1-2-5-12(11)15/h1-7,10,15H,8-9H2/t15-/m0/s1
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n/an/a 50n/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


(Homo sapiens (Human))
BDBM50423281
PNG
(CHEMBL245758)
Show SMILES Clc1cccc(-c2nncn2Cc2cccc3ccccc23)c1Cl
Show InChI InChI=1S/C19H13Cl2N3/c20-17-10-4-9-16(18(17)21)19-23-22-12-24(19)11-14-7-3-6-13-5-1-2-8-15(13)14/h1-10,12H,11H2
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n/an/a 59n/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


(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))
BDBM50410952
PNG
(CHEMBL208560)
Show SMILES Clc1cccc(-c2nnnn2Cc2ccccc2)c1Cl
Show InChI InChI=1S/C14H10Cl2N4/c15-12-8-4-7-11(13(12)16)14-17-18-19-20(14)9-10-5-2-1-3-6-10/h1-8H,9H2
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n/an/a 76n/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))
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 78n/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))
BDBM50423270
PNG
(CHEMBL393241)
Show SMILES Clc1cccc(-c2nncn2[C@@H]2CCc3ccccc23)c1Cl
Show InChI InChI=1S/C17H13Cl2N3/c18-14-7-3-6-13(16(14)19)17-21-20-10-22(17)15-9-8-11-4-1-2-5-12(11)15/h1-7,10,15H,8-9H2/t15-/m1/s1
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n/an/a 78n/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))
BDBM50423293
PNG
(CHEMBL245560)
Show SMILES FC(F)c1ccccc1Cn1cnnc1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C16H11Cl2F2N3/c17-13-7-3-6-12(14(13)18)16-22-21-9-23(16)8-10-4-1-2-5-11(10)15(19)20/h1-7,9,15H,8H2
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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


(Homo sapiens (Human))
BDBM50423289
PNG
(CHEMBL245972)
Show SMILES COc1cccc(Cn2cnnc2-c2cccc(Cl)c2Cl)c1OC
Show InChI InChI=1S/C17H15Cl2N3O2/c1-23-14-8-3-5-11(16(14)24-2)9-22-10-20-21-17(22)12-6-4-7-13(18)15(12)19/h3-8,10H,9H2,1-2H3
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n/an/a 132n/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


(Homo sapiens (Human))
BDBM50423273
PNG
(CHEMBL245756)
Show SMILES FC(F)(F)c1ccccc1Cn1cnnc1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C16H10Cl2F3N3/c17-13-7-3-5-11(14(13)18)15-23-22-9-24(15)8-10-4-1-2-6-12(10)16(19,20)21/h1-7,9H,8H2
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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


(Homo sapiens (Human))
BDBM50423292
PNG
(CHEMBL246172)
Show SMILES Clc1ccc(Cl)c(Cn2cnnc2-c2cccc(Cl)c2Cl)c1
Show InChI InChI=1S/C15H9Cl4N3/c16-10-4-5-12(17)9(6-10)7-22-8-20-21-15(22)11-2-1-3-13(18)14(11)19/h1-6,8H,7H2
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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


(Homo sapiens (Human))
BDBM50423284
PNG
(CHEMBL245562)
Show SMILES CS(=O)(=O)c1ccccc1Cn1cnnc1-c1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1S/C17H13ClF3N3O2S/c1-27(25,26)14-8-3-2-5-11(14)9-24-10-22-23-16(24)12-6-4-7-13(15(12)18)17(19,20)21/h2-8,10H,9H2,1H3
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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


(Homo sapiens (Human))
BDBM50423269
PNG
(CHEMBL245755)
Show SMILES COc1ccccc1Cn1cnnc1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C16H13Cl2N3O/c1-22-14-8-3-2-5-11(14)9-21-10-19-20-16(21)12-6-4-7-13(17)15(12)18/h2-8,10H,9H2,1H3
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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


(Homo sapiens (Human))
BDBM50423268
PNG
(CHEMBL245973)
Show SMILES Clc1cccc(Cn2cnnc2-c2cccc(Cl)c2Cl)c1Cl
Show InChI InChI=1S/C15H9Cl4N3/c16-11-5-1-3-9(13(11)18)7-22-8-20-21-15(22)10-4-2-6-12(17)14(10)19/h1-6,8H,7H2
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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


(Homo sapiens (Human))
BDBM50423282
PNG
(CHEMBL246770)
Show SMILES Clc1cccc(c1Cl)-n1ncnc1Cc1ccccc1
Show InChI InChI=1S/C15H11Cl2N3/c16-12-7-4-8-13(15(12)17)20-14(18-10-19-20)9-11-5-2-1-3-6-11/h1-8,10H,9H2
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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))
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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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))
BDBM50423277
PNG
(CHEMBL245578)
Show SMILES COc1cccc(Cn2cnnc2-c2cccc(Cl)c2Cl)c1
Show InChI InChI=1S/C16H13Cl2N3O/c1-22-12-5-2-4-11(8-12)9-21-10-19-20-16(21)13-6-3-7-14(17)15(13)18/h2-8,10H,9H2,1H3
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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


(Homo sapiens (Human))
BDBM50423283
PNG
(CHEMBL392216)
Show SMILES Clc1cccc(-c2ncnn2Cc2ccccc2)c1Cl
Show InChI InChI=1S/C15H11Cl2N3/c16-13-8-4-7-12(14(13)17)15-18-10-19-20(15)9-11-5-2-1-3-6-11/h1-8,10H,9H2
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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


(Homo sapiens (Human))
BDBM50423286
PNG
(CHEMBL392171)
Show SMILES Clc1ccc(Cn2cnnc2-c2cccc(Cl)c2Cl)c(Cl)c1
Show InChI InChI=1S/C15H9Cl4N3/c16-10-5-4-9(13(18)6-10)7-22-8-20-21-15(22)11-2-1-3-12(17)14(11)19/h1-6,8H,7H2
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n/an/a 331n/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


(Homo sapiens (Human))
BDBM50423271
PNG
(CHEMBL393485)
Show SMILES Clc1cccc(c1Cl)-n1nncc1Cc1ccccc1
Show InChI InChI=1S/C15H11Cl2N3/c16-13-7-4-8-14(15(13)17)20-12(10-18-19-20)9-11-5-2-1-3-6-11/h1-8,10H,9H2
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n/an/a 427n/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


(Homo sapiens (Human))
BDBM50423278
PNG
(CHEMBL265896)
Show SMILES Clc1cccc(-c2nncn2Cc2ccccc2)c1Cl
Show InChI InChI=1S/C15H11Cl2N3/c16-13-8-4-7-12(14(13)17)15-19-18-10-20(15)9-11-5-2-1-3-6-11/h1-8,10H,9H2
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n/an/a 525n/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))
BDBM50423267
PNG
(CHEMBL247586)
Show SMILES Cc1ccc(F)cc1Cn1cnnc1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C16H12Cl2FN3/c1-10-5-6-12(19)7-11(10)8-22-9-20-21-16(22)13-3-2-4-14(17)15(13)18/h2-7,9H,8H2,1H3
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n/an/a 550n/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))
BDBM50423290
PNG
(CHEMBL246767)
Show SMILES Clc1cccc(-c2cnnn2Cc2ccccc2)c1Cl
Show InChI InChI=1S/C15H11Cl2N3/c16-13-8-4-7-12(15(13)17)14-9-18-19-20(14)10-11-5-2-1-3-6-11/h1-9H,10H2
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n/an/a 603n/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))
BDBM50423279
PNG
(CHEMBL391960)
Show SMILES Fc1ccc(cc1Cn1cnnc1-c1cccc(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1S/C16H9Cl2F4N3/c17-12-3-1-2-11(14(12)18)15-24-23-8-25(15)7-9-6-10(16(20,21)22)4-5-13(9)19/h1-6,8H,7H2
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n/an/a 912n/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


(Homo sapiens (Human))
BDBM50423275
PNG
(CHEMBL246173)
Show SMILES CC(c1ccccc1)n1cnnc1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C16H13Cl2N3/c1-11(12-6-3-2-4-7-12)21-10-19-20-16(21)13-8-5-9-14(17)15(13)18/h2-11H,1H3
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n/an/a 1.05E+3n/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


(Homo sapiens (Human))
BDBM50423287
PNG
(CHEMBL392170)
Show SMILES FC(F)(F)c1cccc(Cn2cnnc2-c2cccc(Cl)c2Cl)c1
Show InChI InChI=1S/C16H10Cl2F3N3/c17-13-6-2-5-12(14(13)18)15-23-22-9-24(15)8-10-3-1-4-11(7-10)16(19,20)21/h1-7,9H,8H2
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n/an/a 1.29E+3n/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


(Homo sapiens (Human))
BDBM50423288
PNG
(CHEMBL429110)
Show SMILES Clc1cccc(-c2cncn2Cc2ccccc2)c1Cl
Show InChI InChI=1S/C16H12Cl2N2/c17-14-8-4-7-13(16(14)18)15-9-19-11-20(15)10-12-5-2-1-3-6-12/h1-9,11H,10H2
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n/an/a 1.82E+3n/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


(Homo sapiens (Human))
BDBM50423274
PNG
(CHEMBL393684)
Show SMILES Clc1cccc(-c2ccnn2Cc2ccccc2)c1Cl
Show InChI InChI=1S/C16H12Cl2N2/c17-14-8-4-7-13(16(14)18)15-9-10-19-20(15)11-12-5-2-1-3-6-12/h1-10H,11H2
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n/an/a 6.03E+3n/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


(Homo sapiens (Human))
BDBM50423291
PNG
(CHEMBL245775)
Show SMILES FC(F)(F)c1ccc(Cn2cnnc2-c2cccc(Cl)c2Cl)cc1
Show InChI InChI=1S/C16H10Cl2F3N3/c17-13-3-1-2-12(14(13)18)15-23-22-9-24(15)8-10-4-6-11(7-5-10)16(19,20)21/h1-7,9H,8H2
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n/an/a 8.91E+3n/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


(Homo sapiens (Human))
BDBM50423266
PNG
(CHEMBL246375)
Show SMILES CC(C)(c1ccccc1)n1cnnc1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C17H15Cl2N3/c1-17(2,12-7-4-3-5-8-12)22-11-20-21-16(22)13-9-6-10-14(18)15(13)19/h3-11H,1-2H3
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n/an/a 1.32E+4n/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
* indicates data uncertainty>20%