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Compile Data Set for Download or QSAR

Found 72 hits with Last Name = 'anton' and Initial = 'ab'   
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))
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 1.40n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity against human P2X7 receptor assessed as inhibition of IL-1beta production by cell based assay


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50110110
PNG
(CHEMBL3604331)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccccn1)C(=O)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C18H15Cl2N5O/c1-11-16-22-23-17(14-7-2-3-8-21-14)25(16)10-9-24(11)18(26)12-5-4-6-13(19)15(12)20/h2-8,11H,9-10H2,1H3/t11-/m1/s1
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Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of BzATP-induced Ca2+ flux after 30 min...


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50110169
PNG
(CHEMBL2218113)
Show SMILES Clc1cccc(C(=O)N2CCn3c(C2)nnc3-c2cnccn2)c1Cl
Show InChI InChI=1S/C16H12Cl2N6O/c17-11-3-1-2-10(14(11)18)16(25)23-6-7-24-13(9-23)21-22-15(24)12-8-19-4-5-20-12/h1-5,8H,6-7,9H2
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Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of BzATP-induced Ca2+ flux after 30 min...


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50110168
PNG
(CHEMBL2218122)
Show SMILES FC(F)(F)c1cccc(C(=O)N2CCn3c(C2)nnc3-c2cnccn2)c1Cl
Show InChI InChI=1S/C17H12ClF3N6O/c18-14-10(2-1-3-11(14)17(19,20)21)16(28)26-6-7-27-13(9-26)24-25-15(27)12-8-22-4-5-23-12/h1-5,8H,6-7,9H2
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Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of BzATP-induced Ca2+ flux after 30 min...


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50110172
PNG
(CHEMBL3604427)
Show SMILES C[C@H]1Cn2c(CN1C(=O)c1cccc(Cl)c1Cl)nnc2-c1ccc(F)cn1 |r|
Show InChI InChI=1S/C18H14Cl2FN5O/c1-10-8-26-15(23-24-17(26)14-6-5-11(21)7-22-14)9-25(10)18(27)12-3-2-4-13(19)16(12)20/h2-7,10H,8-9H2,1H3/t10-/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of BzATP-induced Ca2+ flux after 30 min...


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50110163
PNG
(CHEMBL3604320)
Show SMILES CC1N(CCn2c1nnc2-c1ccccn1)C(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C18H15Cl2N5O/c1-11-16-22-23-17(14-7-2-3-8-21-14)25(16)10-9-24(11)18(26)12-5-4-6-13(19)15(12)20/h2-8,11H,9-10H2,1H3
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n/an/a 3.90n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of BzATP-induced Ca2+ flux after 30 min...


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50110028
PNG
(CHEMBL3604424)
Show SMILES C[C@H]1Cn2c(CN1C(=O)c1cccc(Cl)c1Cl)nnc2-c1ccccn1 |r|
Show InChI InChI=1S/C18H15Cl2N5O/c1-11-9-25-15(22-23-17(25)14-7-2-3-8-21-14)10-24(11)18(26)12-5-4-6-13(19)16(12)20/h2-8,11H,9-10H2,1H3/t11-/m0/s1
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n/an/a 6.30n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7 receptor in human whole blood assessed as inhibition of BzATP-induced IL1beta release incubated 30 mins prior to BzATP-ch...


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50110028
PNG
(CHEMBL3604424)
Show SMILES C[C@H]1Cn2c(CN1C(=O)c1cccc(Cl)c1Cl)nnc2-c1ccccn1 |r|
Show InChI InChI=1S/C18H15Cl2N5O/c1-11-9-25-15(22-23-17(25)14-7-2-3-8-21-14)10-24(11)18(26)12-5-4-6-13(19)16(12)20/h2-8,11H,9-10H2,1H3/t11-/m0/s1
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n/an/a 6.70n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of BzATP-induced Ca2+ flux after 30 min...


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50110174
PNG
(CHEMBL3604429)
Show SMILES C[C@H]1Cn2c(CN1C(=O)c1cccc(Cl)c1Cl)nnc2-c1cc(F)ccn1 |r|
Show InChI InChI=1S/C18H14Cl2FN5O/c1-10-8-26-15(23-24-17(26)14-7-11(21)5-6-22-14)9-25(10)18(27)12-3-2-4-13(19)16(12)20/h2-7,10H,8-9H2,1H3/t10-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of BzATP-induced Ca2+ flux after 30 min...


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50110108
PNG
(CHEMBL3604333)
Show SMILES C[C@H]1Cn2c(CN1C(=O)c1cccc(Cl)c1Cl)nnc2-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C19H15Cl2FN4O/c1-11-9-26-16(23-24-18(26)12-5-7-13(22)8-6-12)10-25(11)19(27)14-3-2-4-15(20)17(14)21/h2-8,11H,9-10H2,1H3/t11-/m0/s1
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n/an/a 7.70n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of BzATP-induced Ca2+ flux after 30 min...


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50110171
PNG
(CHEMBL3604426)
Show SMILES COc1ccnc(c1)-c1nnc2CN([C@@H](C)Cn12)C(=O)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C19H17Cl2N5O2/c1-11-9-26-16(23-24-18(26)15-8-12(28-2)6-7-22-15)10-25(11)19(27)13-4-3-5-14(20)17(13)21/h3-8,11H,9-10H2,1-2H3/t11-/m0/s1
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n/an/a 7.70n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of BzATP-induced Ca2+ flux after 30 min...


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM50110105
PNG
(CHEMBL3604422)
Show SMILES C[C@H]1Cn2c(CN1C(=O)c1cccc(Cl)c1Cl)nnc2-c1cnccn1 |r|
Show InChI InChI=1S/C17H14Cl2N6O/c1-10-8-25-14(22-23-16(25)13-7-20-5-6-21-13)9-24(10)17(26)11-3-2-4-12(18)15(11)19/h2-7,10H,8-9H2,1H3/t10-/m0/s1
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n/an/a 7.90n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X7 receptor assessed as inhibition of ATP-induced Ca2+ flux by FLIPR assay


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50110167
PNG
(CHEMBL3604319)
Show SMILES Clc1cccc(C(=O)N2CCn3c(C2)nnc3-c2ccccn2)c1Cl
Show InChI InChI=1S/C17H13Cl2N5O/c18-12-5-3-4-11(15(12)19)17(25)23-8-9-24-14(10-23)21-22-16(24)13-6-1-2-7-20-13/h1-7H,8-10H2
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n/an/a 7.90n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of BzATP-induced Ca2+ flux after 30 min...


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM50110108
PNG
(CHEMBL3604333)
Show SMILES C[C@H]1Cn2c(CN1C(=O)c1cccc(Cl)c1Cl)nnc2-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C19H15Cl2FN4O/c1-11-9-26-16(23-24-18(26)12-5-7-13(22)8-6-12)10-25(11)19(27)14-3-2-4-15(20)17(14)21/h2-8,11H,9-10H2,1H3/t11-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X7 receptor assessed as inhibition of ATP-induced Ca2+ flux by FLIPR assay


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50110105
PNG
(CHEMBL3604422)
Show SMILES C[C@H]1Cn2c(CN1C(=O)c1cccc(Cl)c1Cl)nnc2-c1cnccn1 |r|
Show InChI InChI=1S/C17H14Cl2N6O/c1-10-8-25-14(22-23-16(25)13-7-20-5-6-21-13)9-24(10)17(26)11-3-2-4-12(18)15(11)19/h2-7,10H,8-9H2,1H3/t10-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of BzATP-induced Ca2+ flux after 30 min...


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50110112
PNG
(CHEMBL3604329)
Show SMILES CC1Cn2c(CN1C(=O)c1cccc(Cl)c1Cl)nnc2-c1ccccc1
Show InChI InChI=1S/C19H16Cl2N4O/c1-12-10-25-16(22-23-18(25)13-6-3-2-4-7-13)11-24(12)19(26)14-8-5-9-15(20)17(14)21/h2-9,12H,10-11H2,1H3
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n/an/a 8.20n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of BzATP-induced Ca2+ flux after 30 min...


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM50110174
PNG
(CHEMBL3604429)
Show SMILES C[C@H]1Cn2c(CN1C(=O)c1cccc(Cl)c1Cl)nnc2-c1cc(F)ccn1 |r|
Show InChI InChI=1S/C18H14Cl2FN5O/c1-10-8-26-15(23-24-17(26)14-7-11(21)5-6-22-14)9-25(10)18(27)12-3-2-4-13(19)16(12)20/h2-7,10H,8-9H2,1H3/t10-/m0/s1
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n/an/a 8.30n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X7 receptor assessed as inhibition of ATP-induced Ca2+ flux by FLIPR assay


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50110162
PNG
(CHEMBL3604321)
Show SMILES CC1N(CCn2c1nnc2-c1ccccn1)C(=O)c1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1S/C19H15ClF3N5O/c1-11-16-25-26-17(14-7-2-3-8-24-14)28(16)10-9-27(11)18(29)12-5-4-6-13(15(12)20)19(21,22)23/h2-8,11H,9-10H2,1H3
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n/an/a 8.5n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of BzATP-induced Ca2+ flux after 30 min...


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50110106
PNG
(CHEMBL3604421)
Show SMILES C[C@H]1Cn2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nnc2-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H15ClF4N4O/c1-11-9-29-16(26-27-18(29)12-5-7-13(22)8-6-12)10-28(11)19(30)14-3-2-4-15(17(14)21)20(23,24)25/h2-8,11H,9-10H2,1H3/t11-/m0/s1
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n/an/a 8.70n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of BzATP-induced Ca2+ flux after 30 min...


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50110110
PNG
(CHEMBL3604331)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccccn1)C(=O)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C18H15Cl2N5O/c1-11-16-22-23-17(14-7-2-3-8-21-14)25(16)10-9-24(11)18(26)12-5-4-6-13(19)15(12)20/h2-8,11H,9-10H2,1H3/t11-/m1/s1
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n/an/a 8.90n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7 receptor in human whole blood assessed as inhibition of BzATP-induced IL1beta release incubated 30 mins prior to BzATP-ch...


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50110166
PNG
(CHEMBL2218680)
Show SMILES FC(F)(F)c1cccc(C(=O)N2CCn3c(C2)nnc3-c2ccccn2)c1Cl
Show InChI InChI=1S/C18H13ClF3N5O/c19-15-11(4-3-5-12(15)18(20,21)22)17(28)26-8-9-27-14(10-26)24-25-16(27)13-6-1-2-7-23-13/h1-7H,8-10H2
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n/an/a 9.70n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of BzATP-induced Ca2+ flux after 30 min...


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50110161
PNG
(CHEMBL3604322)
Show SMILES CC1N(CCn2c1nnc2-c1ccc(F)cc1)C(=O)c1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1S/C20H15ClF4N4O/c1-11-17-26-27-18(12-5-7-13(22)8-6-12)29(17)10-9-28(11)19(30)14-3-2-4-15(16(14)21)20(23,24)25/h2-8,11H,9-10H2,1H3
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n/an/a 10n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of BzATP-induced Ca2+ flux after 30 min...


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50110173
PNG
(CHEMBL3604428)
Show SMILES C[C@H]1Cn2c(CN1C(=O)c1cccc(Cl)c1Cl)nnc2-c1ncc(F)cn1 |r|
Show InChI InChI=1S/C17H13Cl2FN6O/c1-9-7-26-13(23-24-16(26)15-21-5-10(20)6-22-15)8-25(9)17(27)11-3-2-4-12(18)14(11)19/h2-6,9H,7-8H2,1H3/t9-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of BzATP-induced Ca2+ flux after 30 min...


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM50110171
PNG
(CHEMBL3604426)
Show SMILES COc1ccnc(c1)-c1nnc2CN([C@@H](C)Cn12)C(=O)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C19H17Cl2N5O2/c1-11-9-26-16(23-24-18(26)15-8-12(28-2)6-7-22-15)10-25(11)19(27)13-4-3-5-14(20)17(13)21/h3-8,11H,9-10H2,1-2H3/t11-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X7 receptor assessed as inhibition of ATP-induced Ca2+ flux by FLIPR assay


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM50110042
PNG
(CHEMBL3604423)
Show SMILES C[C@H]1Cn2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nnc2-c1cnccn1 |r|
Show InChI InChI=1S/C18H14ClF3N6O/c1-10-8-28-14(25-26-16(28)13-7-23-5-6-24-13)9-27(10)17(29)11-3-2-4-12(15(11)19)18(20,21)22/h2-7,10H,8-9H2,1H3/t10-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X7 receptor assessed as inhibition of ATP-induced Ca2+ flux by FLIPR assay


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50110169
PNG
(CHEMBL2218113)
Show SMILES Clc1cccc(C(=O)N2CCn3c(C2)nnc3-c2cnccn2)c1Cl
Show InChI InChI=1S/C16H12Cl2N6O/c17-11-3-1-2-10(14(11)18)16(25)23-6-7-24-13(9-23)21-22-15(24)12-8-19-4-5-20-12/h1-5,8H,6-7,9H2
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n/an/a>10n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity against human P2X7 receptor expressed in HEK293 cells by FLIPR based calcium accumulation assay


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50110165
PNG
(CHEMBL2218589)
Show SMILES Fc1ccc(cc1)-c1nnc2CN(CCn12)C(=O)c1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1S/C19H13ClF4N4O/c20-16-13(2-1-3-14(16)19(22,23)24)18(29)27-8-9-28-15(10-27)25-26-17(28)11-4-6-12(21)7-5-11/h1-7H,8-10H2
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n/an/a>10n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity against human P2X7 receptor expressed in HEK293 cells by FLIPR based calcium accumulation assay


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50110111
PNG
(CHEMBL3604330)
Show SMILES CC1Cn2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nnc2-c1ccccc1
Show InChI InChI=1S/C20H16ClF3N4O/c1-12-10-28-16(25-26-18(28)13-6-3-2-4-7-13)11-27(12)19(29)14-8-5-9-15(17(14)21)20(22,23)24/h2-9,12H,10-11H2,1H3
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n/an/a 12n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of BzATP-induced Ca2+ flux after 30 min...


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM50110113
PNG
(CHEMBL3604328)
Show SMILES CC1N(CCn2c1nnc2-c1cnccn1)C(=O)c1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1S/C18H14ClF3N6O/c1-10-15-25-26-16(13-9-23-5-6-24-13)28(15)8-7-27(10)17(29)11-3-2-4-12(14(11)19)18(20,21)22/h2-6,9-10H,7-8H2,1H3
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n/an/a 12n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X7 receptor assessed as inhibition of ATP-induced Ca2+ flux by FLIPR assay


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50110042
PNG
(CHEMBL3604423)
Show SMILES C[C@H]1Cn2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nnc2-c1cnccn1 |r|
Show InChI InChI=1S/C18H14ClF3N6O/c1-10-8-28-14(25-26-16(28)13-7-23-5-6-24-13)9-27(10)17(29)11-3-2-4-12(15(11)19)18(20,21)22/h2-7,10H,8-9H2,1H3/t10-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of BzATP-induced Ca2+ flux after 30 min...


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM50110106
PNG
(CHEMBL3604421)
Show SMILES C[C@H]1Cn2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nnc2-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H15ClF4N4O/c1-11-9-29-16(26-27-18(29)12-5-7-13(22)8-6-12)10-28(11)19(30)14-3-2-4-15(17(14)21)20(23,24)25/h2-8,11H,9-10H2,1H3/t11-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X7 receptor assessed as inhibition of ATP-induced Ca2+ flux by FLIPR assay


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50110165
PNG
(CHEMBL2218589)
Show SMILES Fc1ccc(cc1)-c1nnc2CN(CCn12)C(=O)c1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1S/C19H13ClF4N4O/c20-16-13(2-1-3-14(16)19(22,23)24)18(29)27-8-9-28-15(10-27)25-26-17(28)11-4-6-12(21)7-5-11/h1-7H,8-10H2
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n/an/a 14n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of BzATP-induced Ca2+ flux after 30 min...


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50110160
PNG
(CHEMBL3604323)
Show SMILES CC1Cn2c(CN1C(=O)c1cccc(Cl)c1Cl)nnc2-c1ccc(F)cc1
Show InChI InChI=1S/C19H15Cl2FN4O/c1-11-9-26-16(23-24-18(26)12-5-7-13(22)8-6-12)10-25(11)19(27)14-3-2-4-15(20)17(14)21/h2-8,11H,9-10H2,1H3
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n/an/a 14n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of BzATP-induced Ca2+ flux after 30 min...


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50110114
PNG
(CHEMBL3604327)
Show SMILES CC1N(CCn2c1nnc2-c1ccccn1)C(=O)c1cccc(c1F)C(F)(F)F
Show InChI InChI=1S/C19H15F4N5O/c1-11-16-25-26-17(14-7-2-3-8-24-14)28(16)10-9-27(11)18(29)12-5-4-6-13(15(12)20)19(21,22)23/h2-8,11H,9-10H2,1H3
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n/an/a 15n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of BzATP-induced Ca2+ flux after 30 min...


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50110042
PNG
(CHEMBL3604423)
Show SMILES C[C@H]1Cn2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nnc2-c1cnccn1 |r|
Show InChI InChI=1S/C18H14ClF3N6O/c1-10-8-28-14(25-26-16(28)13-7-23-5-6-24-13)9-27(10)17(29)11-3-2-4-12(15(11)19)18(20,21)22/h2-7,10H,8-9H2,1H3/t10-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7 receptor in human whole blood assessed as inhibition of BzATP-induced IL1beta release incubated 30 mins prior to BzATP-ch...


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM50110111
PNG
(CHEMBL3604330)
Show SMILES CC1Cn2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nnc2-c1ccccc1
Show InChI InChI=1S/C20H16ClF3N4O/c1-12-10-28-16(25-26-18(28)13-6-3-2-4-7-13)11-27(12)19(29)14-8-5-9-15(17(14)21)20(22,23)24/h2-9,12H,10-11H2,1H3
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n/an/a 18n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X7 receptor assessed as inhibition of ATP-induced Ca2+ flux by FLIPR assay


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50110170
PNG
(CHEMBL3604425)
Show SMILES C[C@H]1Cn2c(CN1C(=O)c1cccc(Cl)c1Cl)nnc2-c1cccc(F)n1 |r|
Show InChI InChI=1S/C18H14Cl2FN5O/c1-10-8-26-15(23-24-17(26)13-6-3-7-14(21)22-13)9-25(10)18(27)11-4-2-5-12(19)16(11)20/h2-7,10H,8-9H2,1H3/t10-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of BzATP-induced Ca2+ flux after 30 min...


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50110159
PNG
(CHEMBL3604324)
Show SMILES CC1Cn2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nnc2-c1ccc(F)cc1
Show InChI InChI=1S/C20H15ClF4N4O/c1-11-9-29-16(26-27-18(29)12-5-7-13(22)8-6-12)10-28(11)19(30)14-3-2-4-15(17(14)21)20(23,24)25/h2-8,11H,9-10H2,1H3
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n/an/a 29n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of BzATP-induced Ca2+ flux after 30 min...


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50110106
PNG
(CHEMBL3604421)
Show SMILES C[C@H]1Cn2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nnc2-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H15ClF4N4O/c1-11-9-29-16(26-27-18(29)12-5-7-13(22)8-6-12)10-28(11)19(30)14-3-2-4-15(17(14)21)20(23,24)25/h2-8,11H,9-10H2,1H3/t11-/m0/s1
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n/an/a 36n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7 receptor in human whole blood assessed as inhibition of BzATP-induced IL1beta release incubated 30 mins prior to BzATP-ch...


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM50110114
PNG
(CHEMBL3604327)
Show SMILES CC1N(CCn2c1nnc2-c1ccccn1)C(=O)c1cccc(c1F)C(F)(F)F
Show InChI InChI=1S/C19H15F4N5O/c1-11-16-25-26-17(14-7-2-3-8-24-14)28(16)10-9-27(11)18(29)12-5-4-6-13(15(12)20)19(21,22)23/h2-8,11H,9-10H2,1H3
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n/an/a 54n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X7 receptor assessed as inhibition of ATP-induced Ca2+ flux by FLIPR assay


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50110113
PNG
(CHEMBL3604328)
Show SMILES CC1N(CCn2c1nnc2-c1cnccn1)C(=O)c1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1S/C18H14ClF3N6O/c1-10-15-25-26-16(13-9-23-5-6-24-13)28(15)8-7-27(10)17(29)11-3-2-4-12(14(11)19)18(20,21)22/h2-6,9-10H,7-8H2,1H3
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n/an/a 55n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of BzATP-induced Ca2+ flux after 30 min...


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM50110028
PNG
(CHEMBL3604424)
Show SMILES C[C@H]1Cn2c(CN1C(=O)c1cccc(Cl)c1Cl)nnc2-c1ccccn1 |r|
Show InChI InChI=1S/C18H15Cl2N5O/c1-11-9-25-15(22-23-17(25)14-7-2-3-8-21-14)10-24(11)18(26)12-5-4-6-13(19)16(12)20/h2-8,11H,9-10H2,1H3/t11-/m0/s1
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n/an/a 75n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X7 receptor assessed as inhibition of ATP-induced Ca2+ flux by FLIPR assay


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM50110172
PNG
(CHEMBL3604427)
Show SMILES C[C@H]1Cn2c(CN1C(=O)c1cccc(Cl)c1Cl)nnc2-c1ccc(F)cn1 |r|
Show InChI InChI=1S/C18H14Cl2FN5O/c1-10-8-26-15(23-24-17(26)14-6-5-11(21)7-22-14)9-25(10)18(27)12-3-2-4-13(19)16(12)20/h2-7,10H,8-9H2,1H3/t10-/m0/s1
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n/an/a 83n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X7 receptor assessed as inhibition of ATP-induced Ca2+ flux by FLIPR assay


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM50110162
PNG
(CHEMBL3604321)
Show SMILES CC1N(CCn2c1nnc2-c1ccccn1)C(=O)c1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1S/C19H15ClF3N5O/c1-11-16-25-26-17(14-7-2-3-8-24-14)28(16)10-9-27(11)18(29)12-5-4-6-13(15(12)20)19(21,22)23/h2-8,11H,9-10H2,1H3
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n/an/a 86n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X7 receptor assessed as inhibition of ATP-induced Ca2+ flux by FLIPR assay


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM50110168
PNG
(CHEMBL2218122)
Show SMILES FC(F)(F)c1cccc(C(=O)N2CCn3c(C2)nnc3-c2cnccn2)c1Cl
Show InChI InChI=1S/C17H12ClF3N6O/c18-14-10(2-1-3-11(14)17(19,20)21)16(28)26-6-7-27-13(9-26)24-25-15(27)12-8-22-4-5-23-12/h1-5,8H,6-7,9H2
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n/an/a 92n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X7 receptor assessed as inhibition of ATP-induced Ca2+ flux by FLIPR assay


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM50110173
PNG
(CHEMBL3604428)
Show SMILES C[C@H]1Cn2c(CN1C(=O)c1cccc(Cl)c1Cl)nnc2-c1ncc(F)cn1 |r|
Show InChI InChI=1S/C17H13Cl2FN6O/c1-9-7-26-13(23-24-16(26)15-21-5-10(20)6-22-15)8-25(9)17(27)11-3-2-4-12(18)14(11)19/h2-6,9H,7-8H2,1H3/t9-/m0/s1
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n/an/a 118n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X7 receptor assessed as inhibition of ATP-induced Ca2+ flux by FLIPR assay


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM50110159
PNG
(CHEMBL3604324)
Show SMILES CC1Cn2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nnc2-c1ccc(F)cc1
Show InChI InChI=1S/C20H15ClF4N4O/c1-11-9-29-16(26-27-18(29)12-5-7-13(22)8-6-12)10-28(11)19(30)14-3-2-4-15(17(14)21)20(23,24)25/h2-8,11H,9-10H2,1H3
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n/an/a 160n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X7 receptor assessed as inhibition of ATP-induced Ca2+ flux by FLIPR assay


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50110108
PNG
(CHEMBL3604333)
Show SMILES C[C@H]1Cn2c(CN1C(=O)c1cccc(Cl)c1Cl)nnc2-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C19H15Cl2FN4O/c1-11-9-26-16(23-24-18(26)12-5-7-13(22)8-6-12)10-25(11)19(27)14-3-2-4-15(20)17(14)21/h2-8,11H,9-10H2,1H3/t11-/m0/s1
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n/an/a 182n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7 receptor in human whole blood assessed as inhibition of BzATP-induced IL1beta release incubated 30 mins prior to BzATP-ch...


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM50110110
PNG
(CHEMBL3604331)
Show SMILES C[C@H]1N(CCn2c1nnc2-c1ccccn1)C(=O)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C18H15Cl2N5O/c1-11-16-22-23-17(14-7-2-3-8-21-14)25(16)10-9-24(11)18(26)12-5-4-6-13(19)15(12)20/h2-8,11H,9-10H2,1H3/t11-/m1/s1
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n/an/a 760n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X7 receptor assessed as inhibition of ATP-induced Ca2+ flux by FLIPR assay


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM50110163
PNG
(CHEMBL3604320)
Show SMILES CC1N(CCn2c1nnc2-c1ccccn1)C(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C18H15Cl2N5O/c1-11-16-22-23-17(14-7-2-3-8-21-14)25(16)10-9-24(11)18(26)12-5-4-6-13(19)15(12)20/h2-8,11H,9-10H2,1H3
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n/an/a 1.16E+3n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X7 receptor assessed as inhibition of ATP-induced Ca2+ flux by FLIPR assay


Bioorg Med Chem Lett 25: 3157-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.004
BindingDB Entry DOI: 10.7270/Q2BV7JD0
More data for this
Ligand-Target Pair
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