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Patent code US10053463

Compile Data Set for Download or QSAR

Found 422 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


(Mus musculus)
BDBM48901
PNG
(BDBM160086 | US10047092, 27 | US10053463, 27 | US9...)
Show SMILES C[C@H]1Cn2c(nnc2-c2ncccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F
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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0.400n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Mus musculus)
BDBM160091
PNG
(US10047092, 32 | US10053463, 32 | US9040534, 32)
Show SMILES C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cscn1
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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0.400n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Mus musculus)
BDBM160085
PNG
(US10047092, 26 | US10053463, 26 | US9040534, 26)
Show SMILES C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cc(C)[nH]n1
Show InChI InChI=1S/C18H16ClF3N6O/c1-9-6-13(24-23-9)15-25-26-16-17(29)27(10(2)7-28(15)16)8-11-4-3-5-12(14(11)19)18(20,21)22/h3-6,10H,7-8H2,1-2H3,(H,23,24)/t10-/m0/s1
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1n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Mus musculus)
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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1.10n/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)

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
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)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Mus musculus)
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
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)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Mus musculus)
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)

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
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)

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)

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)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Mus musculus)
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
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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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)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Mus musculus)
BDBM160134
PNG
(US10047092, 75 | US10053463, 75 | US9040534, 75)
Show SMILES CC[C@H]1Cn2c(nnc2-c2ncc(F)cn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1S/C19H15ClF4N6O/c1-2-12-9-30-16(15-25-6-11(21)7-26-15)27-28-17(30)18(31)29(12)8-10-4-3-5-13(14(10)20)19(22,23)24/h3-7,12H,2,8-9H2,1H3/t12-/m0/s1
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1.80n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Mus musculus)
BDBM160077
PNG
(US10047092, 18 | US10053463, 18 | US9040534, 18)
Show SMILES C[C@H]1Cn2c(nnc2-c2ccccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1S/C19H15ClF3N5O/c1-11-9-28-16(14-7-2-3-8-24-14)25-26-17(28)18(29)27(11)10-12-5-4-6-13(15(12)20)19(21,22)23/h2-8,11H,9-10H2,1H3/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)

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
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)

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
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)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Mus musculus)
BDBM160087
PNG
(US10047092, 28 | US10053463, 28 | US9040534, 28)
Show SMILES C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cc[nH]n1
Show InChI InChI=1S/C17H14ClF3N6O/c1-9-7-27-14(12-5-6-22-23-12)24-25-15(27)16(28)26(9)8-10-3-2-4-11(13(10)18)17(19,20)21/h2-6,9H,7-8H2,1H3,(H,22,23)/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)

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
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)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Mus musculus)
BDBM160096
PNG
(US10047092, 37 | US10053463, 37 | US9040534, 37)
Show SMILES C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cncs1
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)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Mus musculus)
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
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)

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
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)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Mus musculus)
BDBM160130
PNG
(US10047092, 72 | US10053463, 72 | US9040534, 71 | ...)
Show SMILES CC[C@H]1Cn2c(nnc2-c2ncccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F
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)

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
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)

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
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)

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
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 US10053463 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Mus musculus)
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)

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)

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
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)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Mus musculus)
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
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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2.80n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160087
PNG
(US10047092, 28 | US10053463, 28 | US9040534, 28)
Show SMILES C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cc[nH]n1
Show InChI InChI=1S/C17H14ClF3N6O/c1-9-7-27-14(12-5-6-22-23-12)24-25-15(27)16(28)26(9)8-10-3-2-4-11(13(10)18)17(19,20)21/h2-6,9H,7-8H2,1H3,(H,22,23)/t9-/m0/s1
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3.20n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160082
PNG
(US10047092, 23 | US10053463, 23 | US9040534, 23)
Show SMILES C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1ccn(C)n1
Show InChI InChI=1S/C18H16ClF3N6O/c1-10-8-28-15(13-6-7-26(2)25-13)23-24-16(28)17(29)27(10)9-11-4-3-5-12(14(11)19)18(20,21)22/h3-7,10H,8-9H2,1-2H3/t10-/m0/s1
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3.20n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160122
PNG
(US10047092, 63 | US10053463, 63 | US9040534, 63)
Show SMILES FC(F)(F)c1cccc(CN2[C@H](Cn3c(nnc3-c3cnccn3)C2=O)C2CC2)c1Cl
Show InChI InChI=1S/C20H16ClF3N6O/c21-16-12(2-1-3-13(16)20(22,23)24)9-29-15(11-4-5-11)10-30-17(14-8-25-6-7-26-14)27-28-18(30)19(29)31/h1-3,6-8,11,15H,4-5,9-10H2/t15-/m1/s1
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3.20n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160078
PNG
(US10047092, 19 | US10053463, 19 | US9040534, 19)
Show SMILES C[C@H]1Cn2c(nnc2-c2cnc(C)cn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1S/C19H16ClF3N6O/c1-10-6-25-14(7-24-10)16-26-27-17-18(30)28(11(2)8-29(16)17)9-12-4-3-5-13(15(12)20)19(21,22)23/h3-7,11H,8-9H2,1-2H3/t11-/m0/s1
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3.20n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Mus musculus)
BDBM160082
PNG
(US10047092, 23 | US10053463, 23 | US9040534, 23)
Show SMILES C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1ccn(C)n1
Show InChI InChI=1S/C18H16ClF3N6O/c1-10-8-28-15(13-6-7-26(2)25-13)23-24-16(28)17(29)27(10)9-11-4-3-5-12(14(11)19)18(20,21)22/h3-7,10H,8-9H2,1-2H3/t10-/m0/s1
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3.20n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160134
PNG
(US10047092, 75 | US10053463, 75 | US9040534, 75)
Show SMILES CC[C@H]1Cn2c(nnc2-c2ncc(F)cn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1S/C19H15ClF4N6O/c1-2-12-9-30-16(15-25-6-11(21)7-26-15)27-28-17(30)18(31)29(12)8-10-4-3-5-13(14(10)20)19(22,23)24/h3-7,12H,2,8-9H2,1H3/t12-/m0/s1
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3.20n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160085
PNG
(US10047092, 26 | US10053463, 26 | US9040534, 26)
Show SMILES C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cc(C)[nH]n1
Show InChI InChI=1S/C18H16ClF3N6O/c1-9-6-13(24-23-9)15-25-26-16-17(29)27(10(2)7-28(15)16)8-11-4-3-5-12(14(11)19)18(20,21)22/h3-6,10H,7-8H2,1-2H3,(H,23,24)/t10-/m0/s1
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3.20n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Mus musculus)
BDBM160122
PNG
(US10047092, 63 | US10053463, 63 | US9040534, 63)
Show SMILES FC(F)(F)c1cccc(CN2[C@H](Cn3c(nnc3-c3cnccn3)C2=O)C2CC2)c1Cl
Show InChI InChI=1S/C20H16ClF3N6O/c21-16-12(2-1-3-13(16)20(22,23)24)9-29-15(11-4-5-11)10-30-17(14-8-25-6-7-26-14)27-28-18(30)19(29)31/h1-3,6-8,11,15H,4-5,9-10H2/t15-/m1/s1
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3.20n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Mus musculus)
BDBM160080
PNG
(US10047092, 21 | US10053463, 21 | US9040534, 21)
Show SMILES C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cocn1
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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3.5n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Mus musculus)
BDBM246967
PNG
((S)-3-(2-chloro-3-(trifluoromethyl)phenyl)-5-methy...)
Show SMILES C[C@H]1Cn2c(nnc2-c2ccccn2)-c2nnc(-c3cccc(c3Cl)C(F)(F)F)n12
Show InChI InChI=1S/C19H13ClF3N7/c1-10-9-29-16(13-7-2-3-8-24-13)26-27-17(29)18-28-25-15(30(10)18)11-5-4-6-12(14(11)20)19(21,22)23/h2-8,10H,9H2,1H3/t10-/m0/s1
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3.60n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM246967
PNG
((S)-3-(2-chloro-3-(trifluoromethyl)phenyl)-5-methy...)
Show SMILES C[C@H]1Cn2c(nnc2-c2ccccn2)-c2nnc(-c3cccc(c3Cl)C(F)(F)F)n12
Show InChI InChI=1S/C19H13ClF3N7/c1-10-9-29-16(13-7-2-3-8-24-13)26-27-17(29)18-28-25-15(30(10)18)11-5-4-6-12(14(11)20)19(21,22)23/h2-8,10H,9H2,1H3/t10-/m0/s1
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3.60n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Mus musculus)
BDBM246945
PNG
((5S)-3-[2-Chloro-3-(trifluoromethyl)phenyl]-8-(5-f...)
Show SMILES C[C@H]1Cn2c(nnc2-c2ccc(F)cn2)-c2nnc(-c3cccc(c3Cl)C(F)(F)F)n12
Show InChI InChI=1S/C19H12ClF4N7/c1-9-8-30-16(13-6-5-10(21)7-25-13)27-28-17(30)18-29-26-15(31(9)18)11-3-2-4-12(14(11)20)19(22,23)24/h2-7,9H,8H2,1H3/t9-/m0/s1
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4n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Mus musculus)
BDBM160127
PNG
(US10047092, 68 | US10053463, 68 | US9040534, 68)
Show SMILES FC(F)(F)c1cccc(CN2C(Cn3c(nnc3C2=O)-c2cc[nH]n2)C2CC2)c1Cl
Show InChI InChI=1S/C19H16ClF3N6O/c20-15-11(2-1-3-12(15)19(21,22)23)8-28-14(10-4-5-10)9-29-16(13-6-7-24-25-13)26-27-17(29)18(28)30/h1-3,6-7,10,14H,4-5,8-9H2,(H,24,25)
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4n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM246945
PNG
((5S)-3-[2-Chloro-3-(trifluoromethyl)phenyl]-8-(5-f...)
Show SMILES C[C@H]1Cn2c(nnc2-c2ccc(F)cn2)-c2nnc(-c3cccc(c3Cl)C(F)(F)F)n12
Show InChI InChI=1S/C19H12ClF4N7/c1-9-8-30-16(13-6-5-10(21)7-25-13)27-28-17(30)18-29-26-15(31(9)18)11-3-2-4-12(14(11)20)19(22,23)24/h2-7,9H,8H2,1H3/t9-/m0/s1
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4n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160127
PNG
(US10047092, 68 | US10053463, 68 | US9040534, 68)
Show SMILES FC(F)(F)c1cccc(CN2C(Cn3c(nnc3C2=O)-c2cc[nH]n2)C2CC2)c1Cl
Show InChI InChI=1S/C19H16ClF3N6O/c20-15-11(2-1-3-12(15)19(21,22)23)8-28-14(10-4-5-10)9-29-16(13-6-7-24-25-13)26-27-17(29)18(28)30/h1-3,6-7,10,14H,4-5,8-9H2,(H,24,25)
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4n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Mus musculus)
BDBM246948
PNG
((5S)-3-[2-Chloro-3-(trifluoromethyl)phenyl]-5-meth...)
Show SMILES C[C@H]1Cn2c(nnc2-c2ncccn2)-c2nnc(-c3cccc(c3Cl)C(F)(F)F)n12
Show InChI InChI=1S/C18H12ClF3N8/c1-9-8-29-15(13-23-6-3-7-24-13)26-27-16(29)17-28-25-14(30(9)17)10-4-2-5-11(12(10)19)18(20,21)22/h2-7,9H,8H2,1H3/t9-/m0/s1
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4n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160088
PNG
(US10047092, 29 | US10053463, 29 | US9040534, 29)
Show SMILES C[C@H]1Cn2c(nnc2-c2cccnc2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1S/C19H15ClF3N5O/c1-11-9-28-16(12-5-3-7-24-8-12)25-26-17(28)18(29)27(11)10-13-4-2-6-14(15(13)20)19(21,22)23/h2-8,11H,9-10H2,1H3/t11-/m0/s1
PDB

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4n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160090
PNG
(US10047092, 31 | US10053463, 31 | US9040534, 31)
Show SMILES C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1nccs1
Show InChI InChI=1S/C17H13ClF3N5OS/c1-9-7-26-13(15-22-5-6-28-15)23-24-14(26)16(27)25(9)8-10-3-2-4-11(12(10)18)17(19,20)21/h2-6,9H,7-8H2,1H3/t9-/m0/s1
PDB

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4n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Mus musculus)
BDBM246863
PNG
(2-methylnicotinohydrazide | US10053463, 14)
Show SMILES Cc1ncccc1C(=O)NN
Show InChI InChI=1S/C7H9N3O/c1-5-6(7(11)10-8)3-2-4-9-5/h2-4H,8H2,1H3,(H,10,11)
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4n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM246948
PNG
((5S)-3-[2-Chloro-3-(trifluoromethyl)phenyl]-5-meth...)
Show SMILES C[C@H]1Cn2c(nnc2-c2ncccn2)-c2nnc(-c3cccc(c3Cl)C(F)(F)F)n12
Show InChI InChI=1S/C18H12ClF3N8/c1-9-8-29-15(13-23-6-3-7-24-13)26-27-16(29)17-28-25-14(30(9)17)10-4-2-5-11(12(10)19)18(20,21)22/h2-7,9H,8H2,1H3/t9-/m0/s1
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4n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Mus musculus)
BDBM160090
PNG
(US10047092, 31 | US10053463, 31 | US9040534, 31)
Show SMILES C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1nccs1
Show InChI InChI=1S/C17H13ClF3N5OS/c1-9-7-26-13(15-22-5-6-28-15)23-24-14(26)16(27)25(9)8-10-3-2-4-11(12(10)18)17(19,20)21/h2-6,9H,7-8H2,1H3/t9-/m0/s1
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4n/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM246863
PNG
(2-methylnicotinohydrazide | US10053463, 14)
Show SMILES Cc1ncccc1C(=O)NN
Show InChI InChI=1S/C7H9N3O/c1-5-6(7(11)10-8)3-2-4-9-5/h2-4H,8H2,1H3,(H,10,11)
PDB

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4n/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)

More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%