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Compile Data Set for Download or QSAR

Found 5384 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7'   
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))
BDBM50087267
PNG
((1-(N,O-bis(1,5-isoquinolinesulfonyl)-N-methyl-L-t...)
Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccccc1)S(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C38H35N5O6S2/c1-41(50(45,46)36-11-5-7-29-26-39-19-17-33(29)36)35(38(44)43-23-21-42(22-24-43)31-9-3-2-4-10-31)25-28-13-15-32(16-14-28)49-51(47,48)37-12-6-8-30-27-40-20-18-34(30)37/h2-20,26-27,35H,21-25H2,1H3/t35-/m0/s1
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n/an/an/an/a 34n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against recombinant human P2X purinoceptor 7 (P2X7)


J Med Chem 45: 4057-93 (2002)


Article DOI: 10.1021/jm020046y
BindingDB Entry DOI: 10.7270/Q2VX0H71
More data for this
Ligand-Target Pair
P2X purinoceptor 7 (P2X7)


(Rattus norvegicus (Rat))
BDBM50118235
PNG
(Brilliant Blue | CHEMBL423337)
Show SMILES CCOc1ccc(Nc2ccc(cc2)[C+](c2ccc(cc2C)N(CC)Cc2cccc(c2)S([O-])(=O)=O)c2ccc(cc2C)N(CC)Cc2cccc(c2)S([O-])(=O)=O)cc1
Show InChI InChI=1S/C47H49N3O7S2/c1-6-49(31-35-11-9-13-43(29-35)58(51,52)53)40-21-25-45(33(4)27-40)47(37-15-17-38(18-16-37)48-39-19-23-42(24-20-39)57-8-3)46-26-22-41(28-34(46)5)50(7-2)32-36-12-10-14-44(30-36)59(54,55)56/h9-30,48H,6-8,31-32H2,1-5H3,(H-,51,52,53,54,55,56)/p-1
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n/an/an/an/a 400n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
The compound was evaluated for antagonist activity against recombinant rat P2X purinoceptor 7 (P2X7)


J Med Chem 45: 4057-93 (2002)


Article DOI: 10.1021/jm020046y
BindingDB Entry DOI: 10.7270/Q2VX0H71
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50118219
PNG
(Bz-ATP | CHEMBL339386)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1OC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H24N5O14P3/c24-20-17-21(26-11-25-20)28(12-27-17)22-19(40-23(30)15-8-6-14(7-9-15)13-4-2-1-3-5-13)18(29)16(39-22)10-38-44(34,35)42-45(36,37)41-43(31,32)33/h1-9,11-12,16,18-19,22,29H,10H2,(H,34,35)(H,36,37)(H2,24,25,26)(H2,31,32,33)/t16-,18-,19-,22-/m1/s1
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n/an/an/an/a 5.20E+4n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against recombinant human P2X purinoceptor 7 (P2X7)


J Med Chem 45: 4057-93 (2002)


Article DOI: 10.1021/jm020046y
BindingDB Entry DOI: 10.7270/Q2VX0H71
More data for this
Ligand-Target Pair
P2X purinoceptor 7 (P2X7)


(Rattus norvegicus (Rat))
BDBM85043
PNG
(CAS_149017-66-3 | CHEMBL69234 | NSC_6093163 | PPAD...)
Show SMILES Cc1nc(N=Nc2ccc(cc2S(O)(=O)=O)S(O)(=O)=O)c(COP(O)(O)=O)c(C=O)c1O
Show InChI InChI=1S/C14H14N3O12PS2/c1-7-13(19)9(5-18)10(6-29-30(20,21)22)14(15-7)17-16-11-3-2-8(31(23,24)25)4-12(11)32(26,27)28/h2-5,19H,6H2,1H3,(H2,20,21,22)(H,23,24,25)(H,26,27,28)
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n/an/an/an/a 6.20E+4n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
The compound was evaluated for antagonist activity against recombinant rat P2X purinoceptor 7 (P2X7)


J Med Chem 45: 4057-93 (2002)


Article DOI: 10.1021/jm020046y
BindingDB Entry DOI: 10.7270/Q2VX0H71
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50336799
PNG
(5,5',5''-[1,3,6-naphthalenetriyltris(sulfonylimino...)
Show SMILES Cc1ccc(cc1NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c3cc(cc(c23)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)c1)C(=O)Nc1ccc(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O
Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)
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n/an/an/an/a 9.20E+4n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against recombinant human P2X purinoceptor 7 (P2X7)


J Med Chem 45: 4057-93 (2002)


Article DOI: 10.1021/jm020046y
BindingDB Entry DOI: 10.7270/Q2VX0H71
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50118221
PNG
(9H-purine derivative | CHEMBL132722 | DIPHOSPHOMET...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-29(19,20)4-30(21,22)28-31(23,24)25/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H2,12,13,14)(H2,23,24,25)/t5-,7-,8-,11-/m1/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against recombinant human P2X purinoceptor 7 (P2X7)


J Med Chem 45: 4057-93 (2002)


Article DOI: 10.1021/jm020046y
BindingDB Entry DOI: 10.7270/Q2VX0H71
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50366480
PNG
(ADENOSINE TRIPHOSPHATE | ATP)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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n/an/an/an/a 7.80E+5n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity against recombinant human P2X purinoceptor 7 (P2X7)


J Med Chem 45: 4057-93 (2002)


Article DOI: 10.1021/jm020046y
BindingDB Entry DOI: 10.7270/Q2VX0H71
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 (P2X7)


(Rattus norvegicus (Rat))
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
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
P2X7 rat


(Rattus norvegicus (Rat))
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 US10047092 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 7 (P2X7)


(Rattus norvegicus (Rat))
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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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
P2X7 rat


(Rattus norvegicus (Rat))
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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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)

More data for this
Ligand-Target Pair
P2X purinoceptor 7 (P2X7)


(Rattus norvegicus (Rat))
BDBM173376
PNG
(US9096596, 89)
Show SMILES C[C@H]1Cc2c(CN1C(=O)c1ccc(Cl)cc1F)nc(C)nc2-c1ccn[nH]1
Show InChI InChI=1S/C19H17ClFN5O/c1-10-7-14-17(23-11(2)24-18(14)16-5-6-22-25-16)9-26(10)19(27)13-4-3-12(20)8-15(13)21/h3-6,8,10H,7,9H2,1-2H3,(H,22,25)/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 US9096596 (2015)


BindingDB Entry DOI: 10.7270/Q2SJ1JC6
More data for this
Ligand-Target Pair
P2X7 rat


(Rattus norvegicus (Rat))
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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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)

More data for this
Ligand-Target Pair
P2X purinoceptor 7 (P2X7)


(Rattus norvegicus (Rat))
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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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


(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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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 (P2X7)


(Rattus norvegicus (Rat))
BDBM160075
PNG
(US10047092, 16 | US9040534, 16)
Show SMILES C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F
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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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
P2X7 rat


(Rattus norvegicus (Rat))
BDBM160075
PNG
(US10047092, 16 | US9040534, 16)
Show SMILES C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F
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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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)

More data for this
Ligand-Target Pair
P2X purinoceptor 7 (P2X7)


(Rattus norvegicus (Rat))
BDBM254320
PNG
(US9464084, 220)
Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(c1F)C(F)(F)F)nnn2-c1ncc(F)cn1
Show InChI InChI=1S/C18H13F5N6O/c1-9-5-14-13(26-27-29(14)17-24-6-10(19)7-25-17)8-28(9)16(30)11-3-2-4-12(15(11)20)18(21,22)23/h2-4,6-7,9H,5,8H2,1H3/t9-/m0/s1
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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))
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
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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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


(Mus musculus)
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
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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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 US10053462 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 7 (P2X7)


(Rattus norvegicus (Rat))
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
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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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
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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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)

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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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 (P2X7)


(Rattus norvegicus (Rat))
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
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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Janssen Pharmaceutica NV

US Patent


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


US Patent US9102686 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DXP
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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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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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 (P2X7)


(Rattus norvegicus (Rat))
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
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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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 US9540388 (2017)


BindingDB Entry DOI: 10.7270/Q20V8B0D
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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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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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))
BDBM160072
PNG
(US10047092, 13 | US9040534, 13)
Show SMILES C[C@H]1Cn2c(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/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 US10047092 (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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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)

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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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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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
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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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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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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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
P2X7 rat


(Rattus norvegicus (Rat))
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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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)

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
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)

More data for this
Ligand-Target Pair
P2X purinoceptor 7 (P2X7)


(Rattus norvegicus (Rat))
BDBM254247
PNG
(US9464084, 133)
Show SMILES C[C@H]1N(CCc2c1nnn2-c1cc[nH]n1)C(=O)c1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1S/C17H14ClF3N6O/c1-9-15-12(27(25-24-15)13-5-7-22-23-13)6-8-26(9)16(28)10-3-2-4-11(14(10)18)17(19,20)21/h2-5,7,9H,6,8H2,1H3,(H,22,23)/t9-/m1/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 P2X7-1321 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 (P2X7)


(Rattus norvegicus (Rat))
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
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))
BDBM160075
PNG
(US10047092, 16 | US9040534, 16)
Show SMILES C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F
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
P2X7 rat


(Rattus norvegicus (Rat))
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 US10047092 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 7 (P2X7)


(Rattus norvegicus (Rat))
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
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


(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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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 (P2X7)


(Rattus norvegicus (Rat))
BDBM173371
PNG
(US9096596, 84)
Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1ccc(Cl)cc1Cl)nc(C)nc2-c1ccn[nH]1
Show InChI InChI=1S/C19H17Cl2N5O/c1-10-7-14-17(23-11(2)24-18(14)16-5-6-22-25-16)9-26(10)19(27)13-4-3-12(20)8-15(13)21/h3-6,8,10H,7,9H2,1-2H3,(H,22,25)/t10-/m1/s1
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1.90n/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 US9096596 (2015)


BindingDB Entry DOI: 10.7270/Q2SJ1JC6
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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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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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
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