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Compile Data Set for Download or QSAR

Found 2033 hits of ki data for polymerid = 6987   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM174777
PNG
(US10053462, 8 | US9102686, 8 | US9540388, 8)
Show SMILES FC(F)(F)c1cccc(C(=O)N2[C@H]3CCC[C@@H]2c2nnc(-c4cscn4)n2C3)c1Cl |r,THB:9:11:17.26.27:13.15.14|
Show InChI InChI=1S/C19H15ClF3N5OS/c20-15-11(4-2-5-12(15)19(21,22)23)18(29)28-10-3-1-6-14(28)17-26-25-16(27(17)7-10)13-8-30-9-24-13/h2,4-5,8-10,14H,1,3,6-7H2/t10-,14+/m0/s1
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1.30n/a 9.70n/an/an/an/a7.4n/a



Janssen Pharmaceutica NV

US Patent


Assay Description
1321N1 cells expressing the recombinant human or rat P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glucose...


US Patent US9540388 (2017)


BindingDB Entry DOI: 10.7270/Q20V8B0D
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM227806
PNG
((6S)-7-[2-Chloro-3-(trifluoromethyl)benzyl]-6-ethy...)
Show SMILES CC[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C19H16ClF3N6O/c1-2-12-10-29-16(14-8-24-6-7-25-14)26-27-17(29)18(30)28(12)9-11-4-3-5-13(15(11)20)19(21,22)23/h3-8,12H,2,9-10H2,1H3/t12-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
human or rat P2X7-1321N1 cells were collected and frozen @ −80° C. On the day of the experiment, cell membrane preparations were made according...


US Patent US10047092 (2018)


BindingDB Entry DOI: 10.7270/Q27D2X4N
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM227806
PNG
((6S)-7-[2-Chloro-3-(trifluoromethyl)benzyl]-6-ethy...)
Show SMILES CC[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C19H16ClF3N6O/c1-2-12-10-29-16(14-8-24-6-7-25-14)26-27-17(29)18(30)28(12)9-11-4-3-5-13(15(11)20)19(21,22)23/h3-8,12H,2,9-10H2,1H3/t12-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
human or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according ...


US Patent US10053463 (2018)


BindingDB Entry DOI: 10.7270/Q2FT8P24
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160130
PNG
(US10047092, 72 | US10053463, 72 | US9040534, 71 | ...)
Show SMILES CC[C@H]1Cn2c(nnc2-c2ncccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C19H16ClF3N6O/c1-2-12-10-29-16(15-24-7-4-8-25-15)26-27-17(29)18(30)28(12)9-11-5-3-6-13(14(11)20)19(21,22)23/h3-8,12H,2,9-10H2,1H3/t12-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Radioligand binding: human or rat P2X7-1321N1 cells were collected and frozen @ −80° C. On the day of the experiment, cell membrane preparation...


US Patent US9040534 (2015)


BindingDB Entry DOI: 10.7270/Q2JS9P6W
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM246862
PNG
(6-methylpicolinohydrazide | US10053463, 13)
Show SMILES Cc1cccc(n1)C(=O)NN
Show InChI InChI=1S/C7H9N3O/c1-5-3-2-4-6(9-5)7(11)10-8/h2-4H,8H2,1H3,(H,10,11)
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1.40n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
human or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according ...


US Patent US10053463 (2018)


BindingDB Entry DOI: 10.7270/Q2FT8P24
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160080
PNG
(US10047092, 21 | US10053463, 21 | US9040534, 21)
Show SMILES C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cocn1 |r|
Show InChI InChI=1S/C17H13ClF3N5O2/c1-9-5-26-14(12-7-28-8-22-12)23-24-15(26)16(27)25(9)6-10-3-2-4-11(13(10)18)17(19,20)21/h2-4,7-9H,5-6H2,1H3/t9-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Radioligand binding: human or rat P2X7-1321N1 cells were collected and frozen @ −80° C. On the day of the experiment, cell membrane preparation...


US Patent US9040534 (2015)


BindingDB Entry DOI: 10.7270/Q2JS9P6W
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160072
PNG
(US10047092, 13 | US9040534, 13)
Show SMILES C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C17H14Cl2N6O/c1-10-8-25-15(13-7-20-5-6-21-13)22-23-16(25)17(26)24(10)9-11-3-2-4-12(18)14(11)19/h2-7,10H,8-9H2,1H3/t10-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Radioligand binding: human or rat P2X7-1321N1 cells were collected and frozen @ −80° C. On the day of the experiment, cell membrane preparation...


US Patent US9040534 (2015)


BindingDB Entry DOI: 10.7270/Q2JS9P6W
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160080
PNG
(US10047092, 21 | US10053463, 21 | US9040534, 21)
Show SMILES C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cocn1 |r|
Show InChI InChI=1S/C17H13ClF3N5O2/c1-9-5-26-14(12-7-28-8-22-12)23-24-15(26)16(27)25(9)6-10-3-2-4-11(13(10)18)17(19,20)21/h2-4,7-9H,5-6H2,1H3/t9-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
human or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according ...


US Patent US10053463 (2018)


BindingDB Entry DOI: 10.7270/Q2FT8P24
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160072
PNG
(US10047092, 13 | US9040534, 13)
Show SMILES C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C17H14Cl2N6O/c1-10-8-25-15(13-7-20-5-6-21-13)22-23-16(25)17(26)24(10)9-11-3-2-4-12(18)14(11)19/h2-7,10H,8-9H2,1H3/t10-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
human or rat P2X7-1321N1 cells were collected and frozen @ −80° C. On the day of the experiment, cell membrane preparations were made according...


US Patent US10047092 (2018)


BindingDB Entry DOI: 10.7270/Q27D2X4N
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160080
PNG
(US10047092, 21 | US10053463, 21 | US9040534, 21)
Show SMILES C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cocn1 |r|
Show InChI InChI=1S/C17H13ClF3N5O2/c1-9-5-26-14(12-7-28-8-22-12)23-24-15(26)16(27)25(9)6-10-3-2-4-11(13(10)18)17(19,20)21/h2-4,7-9H,5-6H2,1H3/t9-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
human or rat P2X7-1321N1 cells were collected and frozen @ −80° C. On the day of the experiment, cell membrane preparations were made according...


US Patent US10047092 (2018)


BindingDB Entry DOI: 10.7270/Q27D2X4N
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160075
PNG
(US10047092, 16 | US9040534, 16)
Show SMILES C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C18H14ClF3N6O/c1-10-8-28-15(13-7-23-5-6-24-13)25-26-16(28)17(29)27(10)9-11-3-2-4-12(14(11)19)18(20,21)22/h2-7,10H,8-9H2,1H3/t10-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
human or rat P2X7-1321N1 cells were collected and frozen @ −80° C. On the day of the experiment, cell membrane preparations were made according...


US Patent US10047092 (2018)


BindingDB Entry DOI: 10.7270/Q27D2X4N
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160075
PNG
(US10047092, 16 | US9040534, 16)
Show SMILES C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C18H14ClF3N6O/c1-10-8-28-15(13-7-23-5-6-24-13)25-26-16(28)17(29)27(10)9-11-3-2-4-12(14(11)19)18(20,21)22/h2-7,10H,8-9H2,1H3/t10-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Radioligand binding: human or rat P2X7-1321N1 cells were collected and frozen @ −80° C. On the day of the experiment, cell membrane preparation...


US Patent US9040534 (2015)


BindingDB Entry DOI: 10.7270/Q2JS9P6W
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM246865
PNG
(6-(trifluoromethyl)picolinohydrazide | US10053463,...)
Show SMILES NNC(=O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C7H6F3N3O/c8-7(9,10)5-3-1-2-4(12-5)6(14)13-11/h1-3H,11H2,(H,13,14)
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1.60n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
human or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according ...


US Patent US10053463 (2018)


BindingDB Entry DOI: 10.7270/Q2FT8P24
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50510071
PNG
(CHEMBL4541082)
Show SMILES CN1[C@@H](CCC1=O)C(=O)NCc1cccc(c1I)C(F)(F)F |r|
Show InChI InChI=1S/C14H14F3IN2O2/c1-20-10(5-6-11(20)21)13(22)19-7-8-3-2-4-9(12(8)18)14(15,16)17/h2-4,10H,5-7H2,1H3,(H,19,22)/t10-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Competitive displacement of [11C]GSK1482160 from human recombinant P2X7 receptor expressed in HEK293 cell membranes incubated for 30 mins by scintill...


Bioorg Med Chem Lett 29: 1476-1480 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.018
BindingDB Entry DOI: 10.7270/Q2C250RG
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160096
PNG
(US10047092, 37 | US10053463, 37 | US9040534, 37)
Show SMILES C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cncs1 |r|
Show InChI InChI=1S/C17H13ClF3N5OS/c1-9-6-26-14(12-5-22-8-28-12)23-24-15(26)16(27)25(9)7-10-3-2-4-11(13(10)18)17(19,20)21/h2-5,8-9H,6-7H2,1H3/t9-/m0/s1
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2n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
human or rat P2X7-1321N1 cells were collected and frozen @ −80° C. On the day of the experiment, cell membrane preparations were made according...


US Patent US10047092 (2018)


BindingDB Entry DOI: 10.7270/Q27D2X4N
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160094
PNG
(US10047092, 35 | US10053463, 35 | US9040534, 35)
Show SMILES C[C@H]1Cn2c(nnc2-c2cc(CO)ccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C20H17ClF3N5O2/c1-11-8-29-17(15-7-12(10-30)5-6-25-15)26-27-18(29)19(31)28(11)9-13-3-2-4-14(16(13)21)20(22,23)24/h2-7,11,30H,8-10H2,1H3/t11-/m0/s1
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2n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
human or rat P2X7-1321N1 cells were collected and frozen @ −80° C. On the day of the experiment, cell membrane preparations were made according...


US Patent US10047092 (2018)


BindingDB Entry DOI: 10.7270/Q27D2X4N
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160096
PNG
(US10047092, 37 | US10053463, 37 | US9040534, 37)
Show SMILES C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cncs1 |r|
Show InChI InChI=1S/C17H13ClF3N5OS/c1-9-6-26-14(12-5-22-8-28-12)23-24-15(26)16(27)25(9)7-10-3-2-4-11(13(10)18)17(19,20)21/h2-5,8-9H,6-7H2,1H3/t9-/m0/s1
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2n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Radioligand binding: human or rat P2X7-1321N1 cells were collected and frozen @ −80° C. On the day of the experiment, cell membrane preparation...


US Patent US9040534 (2015)


BindingDB Entry DOI: 10.7270/Q2JS9P6W
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM48901
PNG
(BDBM160086 | US10047092, 27 | US10053463, 27 | US9...)
Show SMILES C[C@H]1Cn2c(nnc2-c2ncccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C18H14ClF3N6O/c1-10-8-28-15(14-23-6-3-7-24-14)25-26-16(28)17(29)27(10)9-11-4-2-5-12(13(11)19)18(20,21)22/h2-7,10H,8-9H2,1H3/t10-/m0/s1
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2n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
human or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according ...


US Patent US10053463 (2018)


BindingDB Entry DOI: 10.7270/Q2FT8P24
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160091
PNG
(US10047092, 32 | US10053463, 32 | US9040534, 32)
Show SMILES C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cscn1 |r|
Show InChI InChI=1S/C17H13ClF3N5OS/c1-9-5-26-14(12-7-28-8-22-12)23-24-15(26)16(27)25(9)6-10-3-2-4-11(13(10)18)17(19,20)21/h2-4,7-9H,5-6H2,1H3/t9-/m0/s1
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2n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
human or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according ...


US Patent US10053463 (2018)


BindingDB Entry DOI: 10.7270/Q2FT8P24
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160091
PNG
(US10047092, 32 | US10053463, 32 | US9040534, 32)
Show SMILES C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cscn1 |r|
Show InChI InChI=1S/C17H13ClF3N5OS/c1-9-5-26-14(12-7-28-8-22-12)23-24-15(26)16(27)25(9)6-10-3-2-4-11(13(10)18)17(19,20)21/h2-4,7-9H,5-6H2,1H3/t9-/m0/s1
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2n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Radioligand binding: human or rat P2X7-1321N1 cells were collected and frozen @ −80° C. On the day of the experiment, cell membrane preparation...


US Patent US9040534 (2015)


BindingDB Entry DOI: 10.7270/Q2JS9P6W
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160094
PNG
(US10047092, 35 | US10053463, 35 | US9040534, 35)
Show SMILES C[C@H]1Cn2c(nnc2-c2cc(CO)ccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C20H17ClF3N5O2/c1-11-8-29-17(15-7-12(10-30)5-6-25-15)26-27-18(29)19(31)28(11)9-13-3-2-4-14(16(13)21)20(22,23)24/h2-7,11,30H,8-10H2,1H3/t11-/m0/s1
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2n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
human or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according ...


US Patent US10053463 (2018)


BindingDB Entry DOI: 10.7270/Q2FT8P24
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160094
PNG
(US10047092, 35 | US10053463, 35 | US9040534, 35)
Show SMILES C[C@H]1Cn2c(nnc2-c2cc(CO)ccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C20H17ClF3N5O2/c1-11-8-29-17(15-7-12(10-30)5-6-25-15)26-27-18(29)19(31)28(11)9-13-3-2-4-14(16(13)21)20(22,23)24/h2-7,11,30H,8-10H2,1H3/t11-/m0/s1
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2n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Radioligand binding: human or rat P2X7-1321N1 cells were collected and frozen @ −80° C. On the day of the experiment, cell membrane preparation...


US Patent US9040534 (2015)


BindingDB Entry DOI: 10.7270/Q2JS9P6W
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160091
PNG
(US10047092, 32 | US10053463, 32 | US9040534, 32)
Show SMILES C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cscn1 |r|
Show InChI InChI=1S/C17H13ClF3N5OS/c1-9-5-26-14(12-7-28-8-22-12)23-24-15(26)16(27)25(9)6-10-3-2-4-11(13(10)18)17(19,20)21/h2-4,7-9H,5-6H2,1H3/t9-/m0/s1
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2n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
human or rat P2X7-1321N1 cells were collected and frozen @ −80° C. On the day of the experiment, cell membrane preparations were made according...


US Patent US10047092 (2018)


BindingDB Entry DOI: 10.7270/Q27D2X4N
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM48901
PNG
(BDBM160086 | US10047092, 27 | US10053463, 27 | US9...)
Show SMILES C[C@H]1Cn2c(nnc2-c2ncccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C18H14ClF3N6O/c1-10-8-28-15(14-23-6-3-7-24-14)25-26-16(28)17(29)27(10)9-11-4-2-5-12(13(11)19)18(20,21)22/h2-7,10H,8-9H2,1H3/t10-/m0/s1
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2n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Radioligand binding: human or rat P2X7-1321N1 cells were collected and frozen @ −80° C. On the day of the experiment, cell membrane preparation...


US Patent US9040534 (2015)


BindingDB Entry DOI: 10.7270/Q2JS9P6W
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM48901
PNG
(BDBM160086 | US10047092, 27 | US10053463, 27 | US9...)
Show SMILES C[C@H]1Cn2c(nnc2-c2ncccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C18H14ClF3N6O/c1-10-8-28-15(14-23-6-3-7-24-14)25-26-16(28)17(29)27(10)9-11-4-2-5-12(13(11)19)18(20,21)22/h2-7,10H,8-9H2,1H3/t10-/m0/s1
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2n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
human or rat P2X7-1321N1 cells were collected and frozen @ −80° C. On the day of the experiment, cell membrane preparations were made according...


US Patent US10047092 (2018)


BindingDB Entry DOI: 10.7270/Q27D2X4N
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160096
PNG
(US10047092, 37 | US10053463, 37 | US9040534, 37)
Show SMILES C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cncs1 |r|
Show InChI InChI=1S/C17H13ClF3N5OS/c1-9-6-26-14(12-5-22-8-28-12)23-24-15(26)16(27)25(9)7-10-3-2-4-11(13(10)18)17(19,20)21/h2-5,8-9H,6-7H2,1H3/t9-/m0/s1
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2n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
human or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according ...


US Patent US10053463 (2018)


BindingDB Entry DOI: 10.7270/Q2FT8P24
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM203334
PNG
((6r,10s)-11-[(2,3-dichloro-4-fluorophenyl)carbonyl...)
Show SMILES Fc1ccc(C(=O)N2[C@H]3CCC[C@@H]2c2nnc(-c4ccccn4)n2C3)c(Cl)c1Cl |r,THB:5:7:13.23.24:9.10.11|
Show InChI InChI=1S/C20H16Cl2FN5O/c21-16-12(7-8-13(23)17(16)22)20(29)28-11-4-3-6-15(28)19-26-25-18(27(19)10-11)14-5-1-2-9-24-14/h1-2,5,7-9,11,15H,3-4,6,10H2/t11-,15+/m0/s1
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2.20n/a 25n/an/an/an/a7.4n/a



Janssen Pharmaceutica NV

US Patent


Assay Description
1321N1 cells expressing the recombinant human or rat P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glucose...


US Patent US9540388 (2017)


BindingDB Entry DOI: 10.7270/Q20V8B0D
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM254374
PNG
(US10112937, Example 281 | US10703749, Example 281 ...)
Show SMILES Cc1c(cccc1C(F)(F)F)C(=O)N1CCc2c(C1)nnn2-c1ncccn1
Show InChI InChI=1S/C18H15F3N6O/c1-11-12(4-2-5-13(11)18(19,20)21)16(28)26-9-6-15-14(10-26)24-25-27(15)17-22-7-3-8-23-17/h2-5,7-8H,6,9-10H2,1H3
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2.30n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...


US Patent US10112937 (2018)


BindingDB Entry DOI: 10.7270/Q25H7J9N
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM254374
PNG
(US10112937, Example 281 | US10703749, Example 281 ...)
Show SMILES Cc1c(cccc1C(F)(F)F)C(=O)N1CCc2c(C1)nnn2-c1ncccn1
Show InChI InChI=1S/C18H15F3N6O/c1-11-12(4-2-5-13(11)18(19,20)21)16(28)26-9-6-15-14(10-26)24-25-27(15)17-22-7-3-8-23-17/h2-5,7-8H,6,9-10H2,1H3
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2.30n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Human or rat P2X7-1321 N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according...


US Patent US10703749 (2020)


BindingDB Entry DOI: 10.7270/Q2JD50VT
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM254374
PNG
(US10112937, Example 281 | US10703749, Example 281 ...)
Show SMILES Cc1c(cccc1C(F)(F)F)C(=O)N1CCc2c(C1)nnn2-c1ncccn1
Show InChI InChI=1S/C18H15F3N6O/c1-11-12(4-2-5-13(11)18(19,20)21)16(28)26-9-6-15-14(10-26)24-25-27(15)17-22-7-3-8-23-17/h2-5,7-8H,6,9-10H2,1H3
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2.30n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...


US Patent US10112937 (2018)


BindingDB Entry DOI: 10.7270/Q25H7J9N
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM254371
PNG
(US10112937, Example 278 | US10150765, Example 281 ...)
Show SMILES CC1N(CCc2c1nnn2-c1cnccn1)C(=O)c1cccc(c1C)C(F)(F)F
Show InChI InChI=1S/C19H17F3N6O/c1-11-13(4-3-5-14(11)19(20,21)22)18(29)27-9-6-15-17(12(27)2)25-26-28(15)16-10-23-7-8-24-16/h3-5,7-8,10,12H,6,9H2,1-2H3
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2.30n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Human or rat P2X7-1321N1 cells were collected and frozen @ −80° C. On the day of the experiment, cell membrane preparations were made according...


US Patent US10150765 (2018)


BindingDB Entry DOI: 10.7270/Q23T9K8V
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM254374
PNG
(US10112937, Example 281 | US10703749, Example 281 ...)
Show SMILES Cc1c(cccc1C(F)(F)F)C(=O)N1CCc2c(C1)nnn2-c1ncccn1
Show InChI InChI=1S/C18H15F3N6O/c1-11-12(4-2-5-13(11)18(19,20)21)16(28)26-9-6-15-14(10-26)24-25-27(15)17-22-7-3-8-23-17/h2-5,7-8H,6,9-10H2,1H3
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2.30n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
human or rat P2X7-1321 N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according...


US Patent US9464084 (2016)


BindingDB Entry DOI: 10.7270/Q27D2T3Z
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM254319
PNG
(US10112937, Example 218 | US10150765, Example 218 ...)
Show SMILES C[C@H]1Cc2c(CN1C(=O)c1ccc(Cl)c(F)c1Cl)nnn2-c1ncc(F)cn1 |r|
Show InChI InChI=1S/C17H12Cl2F2N6O/c1-8-4-13-12(24-25-27(13)17-22-5-9(20)6-23-17)7-26(8)16(28)10-2-3-11(18)15(21)14(10)19/h2-3,5-6,8H,4,7H2,1H3/t8-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...


US Patent US10112937 (2018)


BindingDB Entry DOI: 10.7270/Q25H7J9N
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160130
PNG
(US10047092, 72 | US10053463, 72 | US9040534, 71 | ...)
Show SMILES CC[C@H]1Cn2c(nnc2-c2ncccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C19H16ClF3N6O/c1-2-12-10-29-16(15-24-7-4-8-25-15)26-27-17(29)18(30)28(12)9-11-5-3-6-13(14(11)20)19(21,22)23/h3-8,12H,2,9-10H2,1H3/t12-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
human or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according ...


US Patent US10053463 (2018)


BindingDB Entry DOI: 10.7270/Q2FT8P24
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160135
PNG
(US10047092, 76 | US10053463, 76 | US9040534, 76)
Show SMILES CC[C@H]1Cn2c(nnc2-c2ccc(F)cn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C20H16ClF4N5O/c1-2-13-10-30-17(15-7-6-12(22)8-26-15)27-28-18(30)19(31)29(13)9-11-4-3-5-14(16(11)21)20(23,24)25/h3-8,13H,2,9-10H2,1H3/t13-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
human or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according ...


US Patent US10053463 (2018)


BindingDB Entry DOI: 10.7270/Q2FT8P24
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM254271
PNG
(US10112937, Example 166 | US10150765, Example 166 ...)
Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(Cl)c1Cl)nnn2-c1ncccc1F |r|
Show InChI InChI=1S/C18H14Cl2FN5O/c1-10-8-15-14(23-24-26(15)17-13(21)6-3-7-22-17)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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2.5n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Human or rat P2X7-1321N1 cells were collected and frozen @ −80° C. On the day of the experiment, cell membrane preparations were made according...


US Patent US10150765 (2018)


BindingDB Entry DOI: 10.7270/Q23T9K8V
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM254319
PNG
(US10112937, Example 218 | US10150765, Example 218 ...)
Show SMILES C[C@H]1Cc2c(CN1C(=O)c1ccc(Cl)c(F)c1Cl)nnn2-c1ncc(F)cn1 |r|
Show InChI InChI=1S/C17H12Cl2F2N6O/c1-8-4-13-12(24-25-27(13)17-22-5-9(20)6-23-17)7-26(8)16(28)10-2-3-11(18)15(21)14(10)19/h2-3,5-6,8H,4,7H2,1H3/t8-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Human or rat P2X7-1321N1 cells were collected and frozen @ −80° C. On the day of the experiment, cell membrane preparations were made according...


US Patent US10150765 (2018)


BindingDB Entry DOI: 10.7270/Q23T9K8V
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM254271
PNG
(US10112937, Example 166 | US10150765, Example 166 ...)
Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(Cl)c1Cl)nnn2-c1ncccc1F |r|
Show InChI InChI=1S/C18H14Cl2FN5O/c1-10-8-15-14(23-24-26(15)17-13(21)6-3-7-22-17)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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2.5n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Human or rat P2X7-1321 N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according...


US Patent US10703749 (2020)


BindingDB Entry DOI: 10.7270/Q2JD50VT
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM254319
PNG
(US10112937, Example 218 | US10150765, Example 218 ...)
Show SMILES C[C@H]1Cc2c(CN1C(=O)c1ccc(Cl)c(F)c1Cl)nnn2-c1ncc(F)cn1 |r|
Show InChI InChI=1S/C17H12Cl2F2N6O/c1-8-4-13-12(24-25-27(13)17-22-5-9(20)6-23-17)7-26(8)16(28)10-2-3-11(18)15(21)14(10)19/h2-3,5-6,8H,4,7H2,1H3/t8-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Human or rat P2X7-1321 N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according...


US Patent US10703749 (2020)


BindingDB Entry DOI: 10.7270/Q2JD50VT
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM254271
PNG
(US10112937, Example 166 | US10150765, Example 166 ...)
Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(Cl)c1Cl)nnn2-c1ncccc1F |r|
Show InChI InChI=1S/C18H14Cl2FN5O/c1-10-8-15-14(23-24-26(15)17-13(21)6-3-7-22-17)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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2.5n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...


US Patent US10112937 (2018)


BindingDB Entry DOI: 10.7270/Q25H7J9N
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM254319
PNG
(US10112937, Example 218 | US10150765, Example 218 ...)
Show SMILES C[C@H]1Cc2c(CN1C(=O)c1ccc(Cl)c(F)c1Cl)nnn2-c1ncc(F)cn1 |r|
Show InChI InChI=1S/C17H12Cl2F2N6O/c1-8-4-13-12(24-25-27(13)17-22-5-9(20)6-23-17)7-26(8)16(28)10-2-3-11(18)15(21)14(10)19/h2-3,5-6,8H,4,7H2,1H3/t8-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...


US Patent US10112937 (2018)


BindingDB Entry DOI: 10.7270/Q25H7J9N
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM254271
PNG
(US10112937, Example 166 | US10150765, Example 166 ...)
Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(Cl)c1Cl)nnn2-c1ncccc1F |r|
Show InChI InChI=1S/C18H14Cl2FN5O/c1-10-8-15-14(23-24-26(15)17-13(21)6-3-7-22-17)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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Janssen Pharmaceutica NV

US Patent


Assay Description
uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...


US Patent US10112937 (2018)


BindingDB Entry DOI: 10.7270/Q25H7J9N
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160070
PNG
(US10047092, 11 | US9040534, 11)
Show SMILES CC1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(Cl)c1Cl
Show InChI InChI=1S/C17H14Cl2N6O/c1-10-8-25-15(13-7-20-5-6-21-13)22-23-16(25)17(26)24(10)9-11-3-2-4-12(18)14(11)19/h2-7,10H,8-9H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
human or rat P2X7-1321N1 cells were collected and frozen @ −80° C. On the day of the experiment, cell membrane preparations were made according...


US Patent US10047092 (2018)


BindingDB Entry DOI: 10.7270/Q27D2X4N
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160135
PNG
(US10047092, 76 | US10053463, 76 | US9040534, 76)
Show SMILES CC[C@H]1Cn2c(nnc2-c2ccc(F)cn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C20H16ClF4N5O/c1-2-13-10-30-17(15-7-6-12(22)8-26-15)27-28-18(30)19(31)29(13)9-11-4-3-5-14(16(11)21)20(23,24)25/h3-8,13H,2,9-10H2,1H3/t13-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
human or rat P2X7-1321N1 cells were collected and frozen @ −80° C. On the day of the experiment, cell membrane preparations were made according...


US Patent US10047092 (2018)


BindingDB Entry DOI: 10.7270/Q27D2X4N
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160130
PNG
(US10047092, 72 | US10053463, 72 | US9040534, 71 | ...)
Show SMILES CC[C@H]1Cn2c(nnc2-c2ncccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C19H16ClF3N6O/c1-2-12-10-29-16(15-24-7-4-8-25-15)26-27-17(29)18(30)28(12)9-11-5-3-6-13(14(11)20)19(21,22)23/h3-8,12H,2,9-10H2,1H3/t12-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
human or rat P2X7-1321N1 cells were collected and frozen @ −80° C. On the day of the experiment, cell membrane preparations were made according...


US Patent US10047092 (2018)


BindingDB Entry DOI: 10.7270/Q27D2X4N
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160093
PNG
(US10047092, 34 | US10053463, 34 | US9040534, 34)
Show SMILES C[C@H]1Cn2c(nnc2-c2ncc(F)cn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C18H13ClF4N6O/c1-9-7-29-15(14-24-5-11(20)6-25-14)26-27-16(29)17(30)28(9)8-10-3-2-4-12(13(10)19)18(21,22)23/h2-6,9H,7-8H2,1H3/t9-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
human or rat P2X7-1321N1 cells were collected and frozen @ −80° C. On the day of the experiment, cell membrane preparations were made according...


US Patent US10047092 (2018)


BindingDB Entry DOI: 10.7270/Q27D2X4N
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160089
PNG
(US10047092, 30 | US10053463, 30 | US9040534, 30)
Show SMILES C[C@H]1Cn2c(nnc2-c2ccc(F)cn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C19H14ClF4N5O/c1-10-8-29-16(14-6-5-12(21)7-25-14)26-27-17(29)18(30)28(10)9-11-3-2-4-13(15(11)20)19(22,23)24/h2-7,10H,8-9H2,1H3/t10-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
human or rat P2X7-1321N1 cells were collected and frozen @ −80° C. On the day of the experiment, cell membrane preparations were made according...


US Patent US10047092 (2018)


BindingDB Entry DOI: 10.7270/Q27D2X4N
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160093
PNG
(US10047092, 34 | US10053463, 34 | US9040534, 34)
Show SMILES C[C@H]1Cn2c(nnc2-c2ncc(F)cn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C18H13ClF4N6O/c1-9-7-29-15(14-24-5-11(20)6-25-14)26-27-16(29)17(30)28(9)8-10-3-2-4-12(13(10)19)18(21,22)23/h2-6,9H,7-8H2,1H3/t9-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
human or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according ...


US Patent US10053463 (2018)


BindingDB Entry DOI: 10.7270/Q2FT8P24
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160089
PNG
(US10047092, 30 | US10053463, 30 | US9040534, 30)
Show SMILES C[C@H]1Cn2c(nnc2-c2ccc(F)cn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C19H14ClF4N5O/c1-10-8-29-16(14-6-5-12(21)7-25-14)26-27-17(29)18(30)28(10)9-11-3-2-4-13(15(11)20)19(22,23)24/h2-7,10H,8-9H2,1H3/t10-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
human or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according ...


US Patent US10053463 (2018)


BindingDB Entry DOI: 10.7270/Q2FT8P24
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM246860
PNG
(US10053463, 11 | pyridazine-3-carbohydrazide)
Show SMILES NNC(=O)c1cccnn1
Show InChI InChI=1S/C5H6N4O/c6-8-5(10)4-2-1-3-7-9-4/h1-3H,6H2,(H,8,10)
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2.5n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
human or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according ...


US Patent US10053463 (2018)


BindingDB Entry DOI: 10.7270/Q2FT8P24
More data for this
Ligand-Target Pair
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