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PubMed code 21782426

Compile data set for download or QSAR
Found 42 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))		BDBM50352059
PNG
(CHEMBL1824026)
Show SMILES Cc1cc(nn1C[C@@H](O)CN)-c1ccc(Cl)c(c1)C(=O)NCC1(O)CCCCCC1 |r|
Show InChI InChI=1S/C22H31ClN4O3/c1-15-10-20(26-27(15)13-17(28)12-24)16-6-7-19(23)18(11-16)21(29)25-14-22(30)8-4-2-3-5-9-22/h6-7,10-11,17,28,30H,2-5,8-9,12-14,24H2,1H3,(H,25,29)/t17-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7R expressed in HEK293 cells assessed as inhibition of ATP-induced YO-PRO-1 uptake

Bioorg Med Chem Lett 21: 5475-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.117
BindingDB Entry DOI: 10.7270/Q2PC32RF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50352039
PNG
(CHEMBL1823817)
Show SMILES COC[C@H](O)Cn1c(=O)cnn(-c2ccc(Cl)c(c2)C(=O)NCC2(O)CCCCCC2)c1=O |r|
Show InChI InChI=1S/C22H29ClN4O6/c1-33-13-16(28)12-26-19(29)11-25-27(21(26)31)15-6-7-18(23)17(10-15)20(30)24-14-22(32)8-4-2-3-5-9-22/h6-7,10-11,16,28,32H,2-5,8-9,12-14H2,1H3,(H,24,30)/t16-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7R expressed in LPS-activated human monocytes assessed as inhibition of ATP-induced IL-1beta release in presence of low ser...

Bioorg Med Chem Lett 21: 5475-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.117
BindingDB Entry DOI: 10.7270/Q2PC32RF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50352059
PNG
(CHEMBL1824026)
Show SMILES Cc1cc(nn1C[C@@H](O)CN)-c1ccc(Cl)c(c1)C(=O)NCC1(O)CCCCCC1 |r|
Show InChI InChI=1S/C22H31ClN4O3/c1-15-10-20(26-27(15)13-17(28)12-24)16-6-7-19(23)18(11-16)21(29)25-14-22(30)8-4-2-3-5-9-22/h6-7,10-11,17,28,30H,2-5,8-9,12-14,24H2,1H3,(H,25,29)/t17-/m0/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7R expressed in LPS-activated human monocytes assessed as inhibition of ATP-induced IL-1beta release in presence of low ser...

Bioorg Med Chem Lett 21: 5475-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.117
BindingDB Entry DOI: 10.7270/Q2PC32RF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50352059
PNG
(CHEMBL1824026)
Show SMILES Cc1cc(nn1C[C@@H](O)CN)-c1ccc(Cl)c(c1)C(=O)NCC1(O)CCCCCC1 |r|
Show InChI InChI=1S/C22H31ClN4O3/c1-15-10-20(26-27(15)13-17(28)12-24)16-6-7-19(23)18(11-16)21(29)25-14-22(30)8-4-2-3-5-9-22/h6-7,10-11,17,28,30H,2-5,8-9,12-14,24H2,1H3,(H,25,29)/t17-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7R expressed in LPS-stimulated human whole blood assessed as inhibition of ATP-induced IL-1beta release

Bioorg Med Chem Lett 21: 5475-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.117
BindingDB Entry DOI: 10.7270/Q2PC32RF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50352058
PNG
(CHEMBL560241)
Show SMILES Cc1cc(n[nH]1)-c1ccc(Cl)c(c1)C(=O)NCC1(O)CCCCCC1
Show InChI InChI=1S/C19H24ClN3O2/c1-13-10-17(23-22-13)14-6-7-16(20)15(11-14)18(24)21-12-19(25)8-4-2-3-5-9-19/h6-7,10-11,25H,2-5,8-9,12H2,1H3,(H,21,24)(H,22,23)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7R expressed in HEK293 cells assessed as inhibition of ATP-induced YO-PRO-1 uptake

Bioorg Med Chem Lett 21: 5475-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.117
BindingDB Entry DOI: 10.7270/Q2PC32RF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50352060
PNG
(CHEMBL1824027)
Show SMILES Cc1cc(nn1C[C@H](O)CN)-c1ccc(Cl)c(c1)C(=O)NCC1(O)CCCCCC1 |r|
Show InChI InChI=1S/C22H31ClN4O3/c1-15-10-20(26-27(15)13-17(28)12-24)16-6-7-19(23)18(11-16)21(29)25-14-22(30)8-4-2-3-5-9-22/h6-7,10-11,17,28,30H,2-5,8-9,12-14,24H2,1H3,(H,25,29)/t17-/m1/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7R expressed in HEK293 cells assessed as inhibition of ATP-induced YO-PRO-1 uptake

Bioorg Med Chem Lett 21: 5475-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.117
BindingDB Entry DOI: 10.7270/Q2PC32RF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50352052
PNG
(CHEMBL1824020)
Show SMILES Cc1nc(cs1)-c1ccc(Cl)c(c1)C(=O)NCC1(O)CCCCCC1
Show InChI InChI=1S/C19H23ClN2O2S/c1-13-22-17(11-25-13)14-6-7-16(20)15(10-14)18(23)21-12-19(24)8-4-2-3-5-9-19/h6-7,10-11,24H,2-5,8-9,12H2,1H3,(H,21,23)
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n/an/a 6n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7R expressed in HEK293 cells assessed as inhibition of ATP-induced YO-PRO-1 uptake

Bioorg Med Chem Lett 21: 5475-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.117
BindingDB Entry DOI: 10.7270/Q2PC32RF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50352058
PNG
(CHEMBL560241)
Show SMILES Cc1cc(n[nH]1)-c1ccc(Cl)c(c1)C(=O)NCC1(O)CCCCCC1
Show InChI InChI=1S/C19H24ClN3O2/c1-13-10-17(23-22-13)14-6-7-16(20)15(11-14)18(24)21-12-19(25)8-4-2-3-5-9-19/h6-7,10-11,25H,2-5,8-9,12H2,1H3,(H,21,24)(H,22,23)
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n/an/a 7n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7R expressed in LPS-activated human monocytes assessed as inhibition of ATP-induced IL-1beta release in presence of low ser...

Bioorg Med Chem Lett 21: 5475-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.117
BindingDB Entry DOI: 10.7270/Q2PC32RF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50352060
PNG
(CHEMBL1824027)
Show SMILES Cc1cc(nn1C[C@H](O)CN)-c1ccc(Cl)c(c1)C(=O)NCC1(O)CCCCCC1 |r|
Show InChI InChI=1S/C22H31ClN4O3/c1-15-10-20(26-27(15)13-17(28)12-24)16-6-7-19(23)18(11-16)21(29)25-14-22(30)8-4-2-3-5-9-22/h6-7,10-11,17,28,30H,2-5,8-9,12-14,24H2,1H3,(H,25,29)/t17-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7R expressed in LPS-activated human monocytes assessed as inhibition of ATP-induced IL-1beta release in presence of low ser...

Bioorg Med Chem Lett 21: 5475-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.117
BindingDB Entry DOI: 10.7270/Q2PC32RF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50352060
PNG
(CHEMBL1824027)
Show SMILES Cc1cc(nn1C[C@H](O)CN)-c1ccc(Cl)c(c1)C(=O)NCC1(O)CCCCCC1 |r|
Show InChI InChI=1S/C22H31ClN4O3/c1-15-10-20(26-27(15)13-17(28)12-24)16-6-7-19(23)18(11-16)21(29)25-14-22(30)8-4-2-3-5-9-22/h6-7,10-11,17,28,30H,2-5,8-9,12-14,24H2,1H3,(H,25,29)/t17-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7R expressed in LPS-stimulated human whole blood assessed as inhibition of ATP-induced IL-1beta release

Bioorg Med Chem Lett 21: 5475-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.117
BindingDB Entry DOI: 10.7270/Q2PC32RF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50352055
PNG
(CHEMBL549618)
Show SMILES OC1(CNC(=O)c2cc(ccc2Cl)-c2cc[nH]n2)CCCCCC1
Show InChI InChI=1S/C18H22ClN3O2/c19-15-6-5-13(16-7-10-21-22-16)11-14(15)17(23)20-12-18(24)8-3-1-2-4-9-18/h5-7,10-11,24H,1-4,8-9,12H2,(H,20,23)(H,21,22)
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n/an/a 12n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7R expressed in HEK293 cells assessed as inhibition of ATP-induced YO-PRO-1 uptake

Bioorg Med Chem Lett 21: 5475-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.117
BindingDB Entry DOI: 10.7270/Q2PC32RF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50352061
PNG
(CHEMBL1824022)
Show SMILES COc1ccc(nn1)-c1ccc(Cl)c(c1)C(=O)NCC1(O)CCCCCC1
Show InChI InChI=1S/C20H24ClN3O3/c1-27-18-9-8-17(23-24-18)14-6-7-16(21)15(12-14)19(25)22-13-20(26)10-4-2-3-5-11-20/h6-9,12,26H,2-5,10-11,13H2,1H3,(H,22,25)
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n/an/a 28n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7R expressed in HEK293 cells assessed as inhibition of ATP-induced YO-PRO-1 uptake

Bioorg Med Chem Lett 21: 5475-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.117
BindingDB Entry DOI: 10.7270/Q2PC32RF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50318005
PNG
(2-chloro-N-((1-hydroxycycloheptyl)methyl)-5-(5-met...)
Show SMILES Cc1ccc(nc1)-c1ccc(Cl)c(c1)C(=O)NCC1(O)CCCCCC1
Show InChI InChI=1S/C21H25ClN2O2/c1-15-6-9-19(23-13-15)16-7-8-18(22)17(12-16)20(25)24-14-21(26)10-4-2-3-5-11-21/h6-9,12-13,26H,2-5,10-11,14H2,1H3,(H,24,25)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7R expressed in HEK293 cells assessed as inhibition of ATP-induced YO-PRO-1 uptake

Bioorg Med Chem Lett 21: 5475-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.117
BindingDB Entry DOI: 10.7270/Q2PC32RF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50318005
PNG
(2-chloro-N-((1-hydroxycycloheptyl)methyl)-5-(5-met...)
Show SMILES Cc1ccc(nc1)-c1ccc(Cl)c(c1)C(=O)NCC1(O)CCCCCC1
Show InChI InChI=1S/C21H25ClN2O2/c1-15-6-9-19(23-13-15)16-7-8-18(22)17(12-16)20(25)24-14-21(26)10-4-2-3-5-11-21/h6-9,12-13,26H,2-5,10-11,14H2,1H3,(H,24,25)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7R expressed in LPS-activated human monocytes assessed as inhibition of ATP-induced IL-1beta release in presence of low ser...

Bioorg Med Chem Lett 21: 5475-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.117
BindingDB Entry DOI: 10.7270/Q2PC32RF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50352040
PNG
(CHEMBL1823818)
Show SMILES Cc1ccc(nc1)-c1ccc(Cl)c(c1)C(=O)NCCc1ccccc1Cl
Show InChI InChI=1S/C21H18Cl2N2O/c1-14-6-9-20(25-13-14)16-7-8-19(23)17(12-16)21(26)24-11-10-15-4-2-3-5-18(15)22/h2-9,12-13H,10-11H2,1H3,(H,24,26)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7R expressed in LPS-activated human monocytes assessed as inhibition of ATP-induced IL-1beta release in presence of low ser...

Bioorg Med Chem Lett 21: 5475-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.117
BindingDB Entry DOI: 10.7270/Q2PC32RF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50352058
PNG
(CHEMBL560241)
Show SMILES Cc1cc(n[nH]1)-c1ccc(Cl)c(c1)C(=O)NCC1(O)CCCCCC1
Show InChI InChI=1S/C19H24ClN3O2/c1-13-10-17(23-22-13)14-6-7-16(20)15(11-14)18(24)21-12-19(25)8-4-2-3-5-9-19/h6-7,10-11,25H,2-5,8-9,12H2,1H3,(H,21,24)(H,22,23)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7R expressed in LPS-stimulated human whole blood assessed as inhibition of ATP-induced IL-1beta release

Bioorg Med Chem Lett 21: 5475-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.117
BindingDB Entry DOI: 10.7270/Q2PC32RF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50352055
PNG
(CHEMBL549618)
Show SMILES OC1(CNC(=O)c2cc(ccc2Cl)-c2cc[nH]n2)CCCCCC1
Show InChI InChI=1S/C18H22ClN3O2/c19-15-6-5-13(16-7-10-21-22-16)11-14(15)17(23)20-12-18(24)8-3-1-2-4-9-18/h5-7,10-11,24H,1-4,8-9,12H2,(H,20,23)(H,21,22)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7R expressed in LPS-activated human monocytes assessed as inhibition of ATP-induced IL-1beta release in presence of low ser...

Bioorg Med Chem Lett 21: 5475-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.117
BindingDB Entry DOI: 10.7270/Q2PC32RF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50352054
PNG
(CHEMBL1824023)
Show SMILES OC1(CNC(=O)c2cc(ccc2Cl)-c2ccc(=O)[nH]n2)CCCCCC1
Show InChI InChI=1S/C19H22ClN3O3/c20-15-6-5-13(16-7-8-17(24)23-22-16)11-14(15)18(25)21-12-19(26)9-3-1-2-4-10-19/h5-8,11,26H,1-4,9-10,12H2,(H,21,25)(H,23,24)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7R expressed in HEK293 cells assessed as inhibition of ATP-induced YO-PRO-1 uptake

Bioorg Med Chem Lett 21: 5475-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.117
BindingDB Entry DOI: 10.7270/Q2PC32RF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50352056
PNG
(CHEMBL1824024)
Show SMILES Cn1ccc(n1)-c1ccc(Cl)c(c1)C(=O)NCC1(O)CCCCCC1
Show InChI InChI=1S/C19H24ClN3O2/c1-23-11-8-17(22-23)14-6-7-16(20)15(12-14)18(24)21-13-19(25)9-4-2-3-5-10-19/h6-8,11-12,25H,2-5,9-10,13H2,1H3,(H,21,24)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7R expressed in LPS-activated human monocytes assessed as inhibition of ATP-induced IL-1beta release in presence of low ser...

Bioorg Med Chem Lett 21: 5475-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.117
BindingDB Entry DOI: 10.7270/Q2PC32RF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50352053
PNG
(CHEMBL1824021)
Show SMILES OC1(CNC(=O)c2cc(ccc2Cl)-c2cnoc2)CCCCCC1
Show InChI InChI=1S/C18H21ClN2O3/c19-16-6-5-13(14-10-21-24-11-14)9-15(16)17(22)20-12-18(23)7-3-1-2-4-8-18/h5-6,9-11,23H,1-4,7-8,12H2,(H,20,22)
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n/an/a 240n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7R expressed in LPS-activated human monocytes assessed as inhibition of ATP-induced IL-1beta release in presence of low ser...

Bioorg Med Chem Lett 21: 5475-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.117
BindingDB Entry DOI: 10.7270/Q2PC32RF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50352048
PNG
(CHEMBL1824016)
Show SMILES Cc1ccc(nn1)-c1ccc(Cl)c(c1)C(=O)NCCc1ccccc1Cl
Show InChI InChI=1S/C20H17Cl2N3O/c1-13-6-9-19(25-24-13)15-7-8-18(22)16(12-15)20(26)23-11-10-14-4-2-3-5-17(14)21/h2-9,12H,10-11H2,1H3,(H,23,26)
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n/an/a 250n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7R expressed in LPS-activated human monocytes assessed as inhibition of ATP-induced IL-1beta release in presence of low ser...

Bioorg Med Chem Lett 21: 5475-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.117
BindingDB Entry DOI: 10.7270/Q2PC32RF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50352057
PNG
(CHEMBL1824025)
Show SMILES Cn1nccc1-c1ccc(Cl)c(c1)C(=O)NCC1(O)CCCCCC1
Show InChI InChI=1S/C19H24ClN3O2/c1-23-17(8-11-22-23)14-6-7-16(20)15(12-14)18(24)21-13-19(25)9-4-2-3-5-10-19/h6-8,11-12,25H,2-5,9-10,13H2,1H3,(H,21,24)
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n/an/a 266n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7R expressed in HEK293 cells assessed as inhibition of ATP-induced YO-PRO-1 uptake

Bioorg Med Chem Lett 21: 5475-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.117
BindingDB Entry DOI: 10.7270/Q2PC32RF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50352052
PNG
(CHEMBL1824020)
Show SMILES Cc1nc(cs1)-c1ccc(Cl)c(c1)C(=O)NCC1(O)CCCCCC1
Show InChI InChI=1S/C19H23ClN2O2S/c1-13-22-17(11-25-13)14-6-7-16(20)15(10-14)18(23)21-12-19(24)8-4-2-3-5-9-19/h6-7,10-11,24H,2-5,8-9,12H2,1H3,(H,21,23)
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n/an/a 280n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7R expressed in LPS-activated human monocytes assessed as inhibition of ATP-induced IL-1beta release in presence of low ser...

Bioorg Med Chem Lett 21: 5475-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.117
BindingDB Entry DOI: 10.7270/Q2PC32RF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50352061
PNG
(CHEMBL1824022)
Show SMILES COc1ccc(nn1)-c1ccc(Cl)c(c1)C(=O)NCC1(O)CCCCCC1
Show InChI InChI=1S/C20H24ClN3O3/c1-27-18-9-8-17(23-24-18)14-6-7-16(21)15(12-14)19(25)22-13-20(26)10-4-2-3-5-11-20/h6-9,12,26H,2-5,10-11,13H2,1H3,(H,22,25)
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n/an/a 280n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7R expressed in LPS-activated human monocytes assessed as inhibition of ATP-induced IL-1beta release in presence of low ser...

Bioorg Med Chem Lett 21: 5475-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.117
BindingDB Entry DOI: 10.7270/Q2PC32RF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50344733
PNG
(2-chloro-N-(2-chlorophenethyl)-5-(3,5-dioxo-4,5-di...)
Show SMILES Clc1ccccc1CCNC(=O)c1cc(ccc1Cl)-n1ncc(=O)[nH]c1=O
Show InChI InChI=1S/C18H14Cl2N4O3/c19-14-4-2-1-3-11(14)7-8-21-17(26)13-9-12(5-6-15(13)20)24-18(27)23-16(25)10-22-24/h1-6,9-10H,7-8H2,(H,21,26)(H,23,25,27)
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n/an/a 300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7R expressed in LPS-activated human monocytes assessed as inhibition of ATP-induced IL-1beta release in presence of low ser...

Bioorg Med Chem Lett 21: 5475-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.117
BindingDB Entry DOI: 10.7270/Q2PC32RF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50352056
PNG
(CHEMBL1824024)
Show SMILES Cn1ccc(n1)-c1ccc(Cl)c(c1)C(=O)NCC1(O)CCCCCC1
Show InChI InChI=1S/C19H24ClN3O2/c1-23-11-8-17(22-23)14-6-7-16(20)15(12-14)18(24)21-13-19(25)9-4-2-3-5-10-19/h6-8,11-12,25H,2-5,9-10,13H2,1H3,(H,21,24)
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n/an/a 440n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7R expressed in LPS-stimulated human whole blood assessed as inhibition of ATP-induced IL-1beta release

Bioorg Med Chem Lett 21: 5475-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.117
BindingDB Entry DOI: 10.7270/Q2PC32RF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50352045
PNG
(CHEMBL1824011)
Show SMILES Clc1ccc(nc1)-c1ccc(Cl)c(c1)C(=O)NCCc1ccccc1Cl
Show InChI InChI=1S/C20H15Cl3N2O/c21-15-6-8-19(25-12-15)14-5-7-18(23)16(11-14)20(26)24-10-9-13-3-1-2-4-17(13)22/h1-8,11-12H,9-10H2,(H,24,26)
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n/an/a 460n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7R expressed in LPS-activated human monocytes assessed as inhibition of ATP-induced IL-1beta release in presence of low ser...

Bioorg Med Chem Lett 21: 5475-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.117
BindingDB Entry DOI: 10.7270/Q2PC32RF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50352049
PNG
(CHEMBL1824017)
Show SMILES COc1ccc(nn1)-c1ccc(Cl)c(c1)C(=O)NCCc1ccccc1Cl
Show InChI InChI=1S/C20H17Cl2N3O2/c1-27-19-9-8-18(24-25-19)14-6-7-17(22)15(12-14)20(26)23-11-10-13-4-2-3-5-16(13)21/h2-9,12H,10-11H2,1H3,(H,23,26)
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n/an/a 490n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7R expressed in LPS-activated human monocytes assessed as inhibition of ATP-induced IL-1beta release in presence of low ser...

Bioorg Med Chem Lett 21: 5475-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.117
BindingDB Entry DOI: 10.7270/Q2PC32RF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50352051
PNG
(CHEMBL1824019)
Show SMILES OC1(CNC(=O)c2cc(ccc2Cl)-c2c[nH]cn2)CCCCCC1
Show InChI InChI=1S/C18H22ClN3O2/c19-15-6-5-13(16-10-20-12-22-16)9-14(15)17(23)21-11-18(24)7-3-1-2-4-8-18/h5-6,9-10,12,24H,1-4,7-8,11H2,(H,20,22)(H,21,23)
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n/an/a 510n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7R expressed in LPS-activated human monocytes assessed as inhibition of ATP-induced IL-1beta release in presence of low ser...

Bioorg Med Chem Lett 21: 5475-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.117
BindingDB Entry DOI: 10.7270/Q2PC32RF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50352061
PNG
(CHEMBL1824022)
Show SMILES COc1ccc(nn1)-c1ccc(Cl)c(c1)C(=O)NCC1(O)CCCCCC1
Show InChI InChI=1S/C20H24ClN3O3/c1-27-18-9-8-17(23-24-18)14-6-7-16(21)15(12-14)19(25)22-13-20(26)10-4-2-3-5-11-20/h6-9,12,26H,2-5,10-11,13H2,1H3,(H,22,25)
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n/an/a 510n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7R expressed in LPS-stimulated human whole blood assessed as inhibition of ATP-induced IL-1beta release

Bioorg Med Chem Lett 21: 5475-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.117
BindingDB Entry DOI: 10.7270/Q2PC32RF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50318005
PNG
(2-chloro-N-((1-hydroxycycloheptyl)methyl)-5-(5-met...)
Show SMILES Cc1ccc(nc1)-c1ccc(Cl)c(c1)C(=O)NCC1(O)CCCCCC1
Show InChI InChI=1S/C21H25ClN2O2/c1-15-6-9-19(23-13-15)16-7-8-18(22)17(12-16)20(25)24-14-21(26)10-4-2-3-5-11-21/h6-9,12-13,26H,2-5,10-11,14H2,1H3,(H,24,25)
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n/an/a 514n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7R expressed in LPS-stimulated human whole blood assessed as inhibition of ATP-induced IL-1beta release

Bioorg Med Chem Lett 21: 5475-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.117
BindingDB Entry DOI: 10.7270/Q2PC32RF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50352055
PNG
(CHEMBL549618)
Show SMILES OC1(CNC(=O)c2cc(ccc2Cl)-c2cc[nH]n2)CCCCCC1
Show InChI InChI=1S/C18H22ClN3O2/c19-15-6-5-13(16-7-10-21-22-16)11-14(15)17(23)20-12-18(24)8-3-1-2-4-9-18/h5-7,10-11,24H,1-4,8-9,12H2,(H,20,23)(H,21,22)
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n/an/a 610n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7R expressed in LPS-stimulated human whole blood assessed as inhibition of ATP-induced IL-1beta release

Bioorg Med Chem Lett 21: 5475-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.117
BindingDB Entry DOI: 10.7270/Q2PC32RF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50352047
PNG
(CHEMBL1824015)
Show SMILES CC(O)c1ccc(nc1)-c1ccc(Cl)c(c1)C(=O)NCCc1ccccc1Cl
Show InChI InChI=1S/C22H20Cl2N2O2/c1-14(27)17-7-9-21(26-13-17)16-6-8-20(24)18(12-16)22(28)25-11-10-15-4-2-3-5-19(15)23/h2-9,12-14,27H,10-11H2,1H3,(H,25,28)
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n/an/a 668n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7R expressed in LPS-activated human monocytes assessed as inhibition of ATP-induced IL-1beta release in presence of low ser...

Bioorg Med Chem Lett 21: 5475-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.117
BindingDB Entry DOI: 10.7270/Q2PC32RF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50352046
PNG
(CHEMBL1824012)
Show SMILES NC(=O)c1ccc(nc1)-c1ccc(Cl)c(c1)C(=O)NCCc1ccccc1Cl
Show InChI InChI=1S/C21H17Cl2N3O2/c22-17-4-2-1-3-13(17)9-10-25-21(28)16-11-14(5-7-18(16)23)19-8-6-15(12-26-19)20(24)27/h1-8,11-12H,9-10H2,(H2,24,27)(H,25,28)
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n/an/a 720n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7R expressed in LPS-activated human monocytes assessed as inhibition of ATP-induced IL-1beta release in presence of low ser...

Bioorg Med Chem Lett 21: 5475-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.117
BindingDB Entry DOI: 10.7270/Q2PC32RF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50344732
PNG
(2-chloro-5-(3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(...)
Show SMILES CCCCC(CC)CNC(=O)c1cc(ccc1Cl)-n1ncc(=O)[nH]c1=O
Show InChI InChI=1S/C18H23ClN4O3/c1-3-5-6-12(4-2)10-20-17(25)14-9-13(7-8-15(14)19)23-18(26)22-16(24)11-21-23/h7-9,11-12H,3-6,10H2,1-2H3,(H,20,25)(H,22,24,26)
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n/an/a 820n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7R expressed in LPS-activated human monocytes assessed as inhibition of ATP-induced IL-1beta release in presence of low ser...

Bioorg Med Chem Lett 21: 5475-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.117
BindingDB Entry DOI: 10.7270/Q2PC32RF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50352054
PNG
(CHEMBL1824023)
Show SMILES OC1(CNC(=O)c2cc(ccc2Cl)-c2ccc(=O)[nH]n2)CCCCCC1
Show InChI InChI=1S/C19H22ClN3O3/c20-15-6-5-13(16-7-8-17(24)23-22-16)11-14(15)18(25)21-12-19(26)9-3-1-2-4-10-19/h5-8,11,26H,1-4,9-10,12H2,(H,21,25)(H,23,24)
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n/an/a 930n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7R expressed in LPS-activated human monocytes assessed as inhibition of ATP-induced IL-1beta release in presence of low ser...

Bioorg Med Chem Lett 21: 5475-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.117
BindingDB Entry DOI: 10.7270/Q2PC32RF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50352057
PNG
(CHEMBL1824025)
Show SMILES Cn1nccc1-c1ccc(Cl)c(c1)C(=O)NCC1(O)CCCCCC1
Show InChI InChI=1S/C19H24ClN3O2/c1-23-17(8-11-22-23)14-6-7-16(20)15(12-14)18(24)21-13-19(25)9-4-2-3-5-10-19/h6-8,11-12,25H,2-5,9-10,13H2,1H3,(H,21,24)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7R expressed in LPS-activated human monocytes assessed as inhibition of ATP-induced IL-1beta release in presence of low ser...

Bioorg Med Chem Lett 21: 5475-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.117
BindingDB Entry DOI: 10.7270/Q2PC32RF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50352050
PNG
(CHEMBL1824018)
Show SMILES Clc1ccccc1CCNC(=O)c1cc(ccc1Cl)-c1n[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C18H14Cl2N4O3/c19-13-4-2-1-3-10(13)7-8-21-16(25)12-9-11(5-6-14(12)20)15-17(26)22-18(27)24-23-15/h1-6,9H,7-8H2,(H,21,25)(H2,22,24,26,27)
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n/an/a 1.05E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7R expressed in LPS-activated human monocytes assessed as inhibition of ATP-induced IL-1beta release in presence of low ser...

Bioorg Med Chem Lett 21: 5475-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.117
BindingDB Entry DOI: 10.7270/Q2PC32RF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50352041
PNG
(CHEMBL1823819)
Show SMILES Clc1ccccc1CCNC(=O)c1cc(ccc1Cl)-c1ccccn1
Show InChI InChI=1S/C20H16Cl2N2O/c21-17-6-2-1-5-14(17)10-12-24-20(25)16-13-15(8-9-18(16)22)19-7-3-4-11-23-19/h1-9,11,13H,10,12H2,(H,24,25)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7R expressed in LPS-activated human monocytes assessed as inhibition of ATP-induced IL-1beta release in presence of low ser...

Bioorg Med Chem Lett 21: 5475-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.117
BindingDB Entry DOI: 10.7270/Q2PC32RF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50352044
PNG
(CHEMBL1824007)
Show SMILES FC(F)(F)c1ccc(nc1)-c1ccc(Cl)c(c1)C(=O)NCCc1ccccc1Cl
Show InChI InChI=1S/C21H15Cl2F3N2O/c22-17-4-2-1-3-13(17)9-10-27-20(29)16-11-14(5-7-18(16)23)19-8-6-15(12-28-19)21(24,25)26/h1-8,11-12H,9-10H2,(H,27,29)
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n/an/a 4.60E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7R expressed in LPS-activated human monocytes assessed as inhibition of ATP-induced IL-1beta release in presence of low ser...

Bioorg Med Chem Lett 21: 5475-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.117
BindingDB Entry DOI: 10.7270/Q2PC32RF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50352042
PNG
(CHEMBL1823820)
Show SMILES Clc1ccccc1CCNC(=O)c1cc(ccc1Cl)-c1cccnc1
Show InChI InChI=1S/C20H16Cl2N2O/c21-18-6-2-1-4-14(18)9-11-24-20(25)17-12-15(7-8-19(17)22)16-5-3-10-23-13-16/h1-8,10,12-13H,9,11H2,(H,24,25)
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n/an/a 4.80E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7R expressed in LPS-activated human monocytes assessed as inhibition of ATP-induced IL-1beta release in presence of low ser...

Bioorg Med Chem Lett 21: 5475-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.117
BindingDB Entry DOI: 10.7270/Q2PC32RF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50352043
PNG
(CHEMBL1824006)
Show SMILES Clc1ccccc1CCNC(=O)c1cc(ccc1Cl)-c1ccncc1
Show InChI InChI=1S/C20H16Cl2N2O/c21-18-4-2-1-3-15(18)9-12-24-20(25)17-13-16(5-6-19(17)22)14-7-10-23-11-8-14/h1-8,10-11,13H,9,12H2,(H,24,25)
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n/an/a 5.20E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7R expressed in LPS-activated human monocytes assessed as inhibition of ATP-induced IL-1beta release in presence of low ser...

Bioorg Med Chem Lett 21: 5475-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.117
BindingDB Entry DOI: 10.7270/Q2PC32RF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%