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Compile Data Set for Download or QSAR

Found 4820 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor'   
Target
(Institution)
LigandTarget
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
P2X3 purinoceptor


(Homo sapiens (human))
BDBM50219120
PNG
(CHEMBL395493 | LVVYPWT)
Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C45H64N8O10/c1-23(2)19-31(46)39(56)50-37(25(5)6)43(60)51-36(24(3)4)42(59)49-34(20-27-14-16-29(55)17-15-27)44(61)53-18-10-13-35(53)41(58)48-33(40(57)52-38(26(7)54)45(62)63)21-28-22-47-32-12-9-8-11-30(28)32/h8-9,11-12,14-17,22-26,31,33-38,47,54-55H,10,13,18-21,46H2,1-7H3,(H,48,58)(H,49,59)(H,50,56)(H,51,60)(H,52,57)(H,62,63)/t26-,31+,33+,34+,35+,36+,37+,38+/m1/s1
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n/an/a 0.00830n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current by two electrode voltage cl...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50426571
PNG
(CHEMBL2324343)
Show SMILES C[C@H](CN)n1ccc2c(NC(=O)Cc3ccc(c(F)c3)C(F)(F)F)c(C)ccc2c1=O
Show InChI InChI=1S/C22H21F4N3O2/c1-12-3-5-16-15(7-8-29(21(16)31)13(2)11-27)20(12)28-19(30)10-14-4-6-17(18(23)9-14)22(24,25)26/h3-9,13H,10-11,27H2,1-2H3,(H,28,30)/t13-/m1/s1
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n/an/a 0.0100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of P2X7 receptor (unknown origin) assessed as inhibition of IL1beta production


Citation and Details
More data for this
Ligand-Target Pair
P2X3 purinoceptor


(Homo sapiens (human))
BDBM50219120
PNG
(CHEMBL395493 | LVVYPWT)
Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C45H64N8O10/c1-23(2)19-31(46)39(56)50-37(25(5)6)43(60)51-36(24(3)4)42(59)49-34(20-27-14-16-29(55)17-15-27)44(61)53-18-10-13-35(53)41(58)48-33(40(57)52-38(26(7)54)45(62)63)21-28-22-47-32-12-9-8-11-30(28)32/h8-9,11-12,14-17,22-26,31,33-38,47,54-55H,10,13,18-21,46H2,1-7H3,(H,48,58)(H,49,59)(H,50,56)(H,51,60)(H,52,57)(H,62,63)/t26-,31+,33+,34+,35+,36+,37+,38+/m1/s1
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n/an/a 0.0481n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current in presence of ...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50414304
PNG
(CHEMBL550030)
Show SMILES CC(C)C(CO)n1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2c1=O
Show InChI InChI=1S/C26H34N2O3/c1-16(2)23(15-29)28-7-6-20-21(25(28)31)4-3-5-22(20)27-24(30)14-26-11-17-8-18(12-26)10-19(9-17)13-26/h3-7,16-19,23,29H,8-15H2,1-2H3,(H,27,30)
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n/an/a 0.0501n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7 receptor in human THP1 cells assessed as inhibition of BzATP-induced ethidium uptake


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50414307
PNG
(CHEMBL560506)
Show SMILES CC(C(N)=O)n1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)c(Cl)ccc2c1=O
Show InChI InChI=1S/C24H28ClN3O3/c1-13(22(26)30)28-5-4-17-18(23(28)31)2-3-19(25)21(17)27-20(29)12-24-9-14-6-15(10-24)8-16(7-14)11-24/h2-5,13-16H,6-12H2,1H3,(H2,26,30)(H,27,29)
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n/an/a 0.0794n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7 receptor in human THP1 cells assessed as inhibition of BzATP-induced ethidium uptake


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173706
PNG
(US9102591, (+)2-chloro-N-[3-[1-(trifluoromethyl)cy...)
Show SMILES FC(F)(F)c1ccc(cn1)C(CNC(=O)c1ccccc1Cl)CC1(CC1)C(F)(F)F
Show InChI InChI=1/C20H17ClF6N2O/c21-15-4-2-1-3-14(15)17(30)29-11-13(9-18(7-8-18)20(25,26)27)12-5-6-16(28-10-12)19(22,23)24/h1-6,10,13H,7-9,11H2,(H,29,30)
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US Patent
n/an/a 0.0900n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50414305
PNG
(CHEMBL551360)
Show SMILES OCC(CO)n1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2c1=O
Show InChI InChI=1S/C24H30N2O4/c27-13-18(14-28)26-5-4-19-20(23(26)30)2-1-3-21(19)25-22(29)12-24-9-15-6-16(10-24)8-17(7-15)11-24/h1-5,15-18,27-28H,6-14H2,(H,25,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7 receptor in human THP1 cells assessed as inhibition of BzATP-induced ethidium uptake


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160091
PNG
(US9040534, 32)
Show SMILES C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cscn1
Show InChI InChI=1/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-/s2
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n/an/a 0.200n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Ca2+ Flux: 1321N1 cells expressing the recombinant human, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium...


US Patent US9040534 (2015)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160076
PNG
(US9040534, 17)
Show SMILES C[C@H]1Cn2c(nnc2-c2ccc(F)cc2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1/C20H15ClF4N4O/c1-11-9-29-17(12-5-7-14(22)8-6-12)26-27-18(29)19(30)28(11)10-13-3-2-4-15(16(13)21)20(23,24)25/h2-8,11H,9-10H2,1H3/t11-/s2
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n/an/a 0.200n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173649
PNG
(US9102591, 2,3-dichloro-N-[[4,4-difluoro-1-(6-fluo...)
Show SMILES Fc1ccc(cn1)C1(CNC(=O)c2cccc(Cl)c2Cl)CCC(F)(F)CC1
Show InChI InChI=1S/C19H17Cl2F3N2O/c20-14-3-1-2-13(16(14)21)17(27)26-11-18(6-8-19(23,24)9-7-18)12-4-5-15(22)25-10-12/h1-5,10H,6-9,11H2,(H,26,27)
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n/an/a 0.280n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160130
PNG
(US9040534, 71 | US9040534, 72)
Show SMILES CC[C@H]1Cn2c(nnc2-c2ncccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1/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-/s2
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n/an/a 0.300n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Ca2+ Flux: 1321N1 cells expressing the recombinant human, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium...


US Patent US9040534 (2015)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173675
PNG
(US9102591, (+)2,3-dichloro-N-[3-cyclopropyl-2-[6-(...)
Show SMILES FC(F)(F)c1ccc(cn1)C(CNC(=O)c1cccc(Cl)c1Cl)CC1CC1
Show InChI InChI=1/C19H17Cl2F3N2O/c20-15-3-1-2-14(17(15)21)18(27)26-10-13(8-11-4-5-11)12-6-7-16(25-9-12)19(22,23)24/h1-3,6-7,9,11,13H,4-5,8,10H2,(H,26,27)
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n/an/a 0.310n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50414314
PNG
(CHEMBL564882)
Show SMILES Fc1c(CC(=O)Nc2c(Cl)ccc3c2ccn(C2CC2)c3=O)cccc1C(F)(F)F
Show InChI InChI=1S/C21H15ClF4N2O2/c22-16-7-6-14-13(8-9-28(20(14)30)12-4-5-12)19(16)27-17(29)10-11-2-1-3-15(18(11)23)21(24,25)26/h1-3,6-9,12H,4-5,10H2,(H,27,29)
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n/an/a 0.316n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7 receptor in human THP1 cells assessed as inhibition of BzATP-induced ethidium uptake


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50414309
PNG
(CHEMBL551362)
Show SMILES CC(CO)n1ccc2c(NC(=O)Cc3ccc(c(F)c3)C(F)(F)F)c(C)ccc2c1=O
Show InChI InChI=1S/C22H20F4N2O3/c1-12-3-5-16-15(7-8-28(21(16)31)13(2)11-29)20(12)27-19(30)10-14-4-6-17(18(23)9-14)22(24,25)26/h3-9,13,29H,10-11H2,1-2H3,(H,27,30)
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n/an/a 0.398n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7 receptor in human THP1 cells assessed as inhibition of BzATP-induced ethidium uptake


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM48901
PNG
(BDBM160086 | US9040534, 72)
Show SMILES C[C@H]1Cn2c(nnc2-c2ncccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1/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-/s2
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n/an/a 0.400n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Ca2+ Flux: 1321N1 cells expressing the recombinant human, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium...


US Patent US9040534 (2015)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160077
PNG
(US9040534, 18)
Show SMILES C[C@H]1Cn2c(nnc2-c2ccccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1/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-/s2
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n/an/a 0.5n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM48901
PNG
(BDBM160086 | US9040534, 72)
Show SMILES C[C@H]1Cn2c(nnc2-c2ncccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1/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-/s2
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Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


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

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173682
PNG
(US9102591, 2-chloro-N-((4,4-difluoro-1-(6-(trifluo...)
Show SMILES Cc1cccc(C(=O)NCC2(CCC(F)(F)CC2)c2ccc(nc2)C(F)(F)F)c1Cl
Show InChI InChI=1S/C21H20ClF5N2O/c1-13-3-2-4-15(17(13)22)18(30)29-12-19(7-9-20(23,24)10-8-19)14-5-6-16(28-11-14)21(25,26)27/h2-6,11H,7-10,12H2,1H3,(H,29,30)
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US Patent
n/an/a 0.540n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173675
PNG
(US9102591, (+)2,3-dichloro-N-[3-cyclopropyl-2-[6-(...)
Show SMILES FC(F)(F)c1ccc(cn1)C(CNC(=O)c1cccc(Cl)c1Cl)CC1CC1
Show InChI InChI=1/C19H17Cl2F3N2O/c20-15-3-1-2-14(17(15)21)18(27)26-10-13(8-11-4-5-11)12-6-7-16(25-9-12)19(22,23)24/h1-3,6-7,9,11,13H,4-5,8,10H2,(H,26,27)
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n/an/a 0.550n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160087
PNG
(US9040534, 28)
Show SMILES C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cc[nH]n1
Show InChI InChI=1/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-/s2
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n/an/a 0.600n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50417280
PNG
(CHEMBL1271548)
Show SMILES CN1C[C@H](N(C)C1=O)C(=O)NCc1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1S/C14H15ClF3N3O2/c1-20-7-10(21(2)13(20)23)12(22)19-6-8-4-3-5-9(11(8)15)14(16,17)18/h3-5,10H,6-7H2,1-2H3,(H,19,22)/t10-/m0/s1
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n/an/a 0.631n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160094
PNG
(US9040534, 35)
Show SMILES C[C@H]1Cn2c(nnc2-c2cc(CO)ccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1/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-/s2
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US Patent
n/an/a 0.700n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Ca2+ Flux: 1321N1 cells expressing the recombinant human, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium...


US Patent US9040534 (2015)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160075
PNG
(US9040534, 16)
Show SMILES C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1/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-/s2
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n/an/a 0.700n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Ca2+ Flux: 1321N1 cells expressing the recombinant human, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium...


US Patent US9040534 (2015)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160089
PNG
(US9040534, 30)
Show SMILES C[C@H]1Cn2c(nnc2-c2ccc(F)cn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1/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-/s2
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n/an/a 0.700n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160075
PNG
(US9040534, 16)
Show SMILES C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1/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-/s2
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n/an/a 0.700n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173681
PNG
(US9102591, 3-bromo-N-((4,4-difluoro-1-(6-(trifluor...)
Show SMILES Cc1c(Br)cccc1C(=O)NCC1(CCC(F)(F)CC1)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C21H20BrF5N2O/c1-13-15(3-2-4-16(13)22)18(30)29-12-19(7-9-20(23,24)10-8-19)14-5-6-17(28-11-14)21(25,26)27/h2-6,11H,7-10,12H2,1H3,(H,29,30)
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n/an/a 0.710n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173739
PNG
(US9102591, (+)2,6-dichloro-N-[3-cyclopropyl-2-[6-(...)
Show SMILES FC(F)(F)c1ccc(cn1)C(CNC(=O)c1c(Cl)cccc1Cl)CC1CC1
Show InChI InChI=1/C19H17Cl2F3N2O/c20-14-2-1-3-15(21)17(14)18(27)26-10-13(8-11-4-5-11)12-6-7-16(25-9-12)19(22,23)24/h1-3,6-7,9,11,13H,4-5,8,10H2,(H,26,27)
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n/an/a 0.710n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173694
PNG
(US9102591, 2,3-dichloro-N-[2-(6-cyclopropyl-3-pyri...)
Show SMILES FC(F)C1(CC(CNC(=O)c2cccc(Cl)c2Cl)c2ccc(nc2)C2CC2)CC1
Show InChI InChI=1/C22H22Cl2F2N2O/c23-17-3-1-2-16(19(17)24)20(29)28-12-15(10-22(8-9-22)21(25)26)14-6-7-18(27-11-14)13-4-5-13/h1-3,6-7,11,13,15,21H,4-5,8-10,12H2,(H,28,29)
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n/an/a 0.760n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173651
PNG
(US9102591, 2-chloro-N-[[4,4-difluoro-1-(6-fluoro-3...)
Show SMILES Cc1ccc(Cl)c(c1)C(=O)NCC1(CCC(F)(F)CC1)c1ccc(F)nc1
Show InChI InChI=1S/C20H20ClF3N2O/c1-13-2-4-16(21)15(10-13)18(27)26-12-19(6-8-20(23,24)9-7-19)14-3-5-17(22)25-11-14/h2-5,10-11H,6-9,12H2,1H3,(H,26,27)
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n/an/a 0.760n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)

More data for this
Ligand-Target Pair
P2X3 purinoceptor


(Homo sapiens (human))
BDBM196325
PNG
(US9212130, I-245)
Show SMILES Fc1cncc(Oc2ccc(Nc3ncc(NC(=O)C4CCOCC4)c(=O)n3Cc3ccc(Cl)cc3)cc2)c1
Show InChI InChI=1S/C28H25ClFN5O4/c29-20-3-1-18(2-4-20)17-35-27(37)25(34-26(36)19-9-11-38-12-10-19)16-32-28(35)33-22-5-7-23(8-6-22)39-24-13-21(30)14-31-15-24/h1-8,13-16,19H,9-12,17H2,(H,32,33)(H,34,36)
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n/an/a 0.800n/an/an/an/an/an/a



SHIONOGI & CO., LTD.

US Patent


Assay Description
Stably expressing cell line (C6BU-1 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...


US Patent US9212130 (2015)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50344738
PNG
((S)-2-chloro-5-(4-(2-hydroxy-3-methoxypropyl)-3,5-...)
Show SMILES COC[C@@H](O)Cn1c(=O)cnn(-c2ccc(Cl)c(c2)C(=O)NCC2(O)CCCCCC2)c1=O
Show InChI InChI=1S/C22H29ClN4O6/c1-33-13-16(28)12-26-19(29)11-25-27(21(26)31)15-6-7-18(23)17(10-15)20(30)24-14-22(32)8-4-2-3-5-9-22/h6-7,10-11,16,28,32H,2-5,8-9,12-14H2,1H3,(H,24,30)/t16-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7 receptor in human LPS-stimulated monocytes assessed as inhibition of ATP-induced IL-1beta release by ELISA in presence of...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160122
PNG
(US9040534, 63)
Show SMILES FC(F)(F)c1cccc(CN2[C@H](Cn3c(nnc3-c3cnccn3)C2=O)C2CC2)c1Cl
Show InChI InChI=1/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-/s2
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n/an/a 0.800n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Ca2+ Flux: 1321N1 cells expressing the recombinant human, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium...


US Patent US9040534 (2015)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173753
PNG
(US9102591, (+)2,6-dichloro-N-[3-cyclopropyl-2-[2-(...)
Show SMILES FC(F)(F)c1ncc(cn1)C(CNC(=O)c1c(Cl)cccc1Cl)CC1CC1
Show InChI InChI=1/C18H16Cl2F3N3O/c19-13-2-1-3-14(20)15(13)16(27)24-7-11(6-10-4-5-10)12-8-25-17(26-9-12)18(21,22)23/h1-3,8-11H,4-7H2,(H,24,27)
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n/an/a 0.820n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173661
PNG
(US9102591, 2-chloro-N-((4,4-difluoro-1-(6-fluoropy...)
Show SMILES COc1ccc(Cl)c(c1)C(=O)NCC1(CCC(F)(F)CC1)c1ccc(F)nc1
Show InChI InChI=1S/C20H20ClF3N2O2/c1-28-14-3-4-16(21)15(10-14)18(27)26-12-19(6-8-20(23,24)9-7-19)13-2-5-17(22)25-11-13/h2-5,10-11H,6-9,12H2,1H3,(H,26,27)
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n/an/a 0.830n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173710
PNG
(US9102591, (+)2,3-dichloro-N-[3-cyclopropyl-2-[2-(...)
Show SMILES FC(F)(F)c1ncc(cn1)C(CNC(=O)c1cccc(Cl)c1Cl)CC1CC1
Show InChI InChI=1/C18H16Cl2F3N3O/c19-14-3-1-2-13(15(14)20)16(27)24-7-11(6-10-4-5-10)12-8-25-17(26-9-12)18(21,22)23/h1-3,8-11H,4-7H2,(H,24,27)
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n/an/a 0.860n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173710
PNG
(US9102591, (+)2,3-dichloro-N-[3-cyclopropyl-2-[2-(...)
Show SMILES FC(F)(F)c1ncc(cn1)C(CNC(=O)c1cccc(Cl)c1Cl)CC1CC1
Show InChI InChI=1/C18H16Cl2F3N3O/c19-14-3-1-2-13(15(14)20)16(27)24-7-11(6-10-4-5-10)12-8-25-17(26-9-12)18(21,22)23/h1-3,8-11H,4-7H2,(H,24,27)
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n/an/a 0.880n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173739
PNG
(US9102591, (+)2,6-dichloro-N-[3-cyclopropyl-2-[6-(...)
Show SMILES FC(F)(F)c1ccc(cn1)C(CNC(=O)c1c(Cl)cccc1Cl)CC1CC1
Show InChI InChI=1/C19H17Cl2F3N2O/c20-14-2-1-3-15(21)17(14)18(27)26-10-13(8-11-4-5-11)12-6-7-16(25-9-12)19(22,23)24/h1-3,6-7,9,11,13H,4-5,8,10H2,(H,26,27)
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n/an/a 0.890n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160089
PNG
(US9040534, 30)
Show SMILES C[C@H]1Cn2c(nnc2-c2ccc(F)cn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1/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-/s2
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n/an/a 0.900n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Ca2+ Flux: 1321N1 cells expressing the recombinant human, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium...


US Patent US9040534 (2015)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160130
PNG
(US9040534, 71 | US9040534, 72)
Show SMILES CC[C@H]1Cn2c(nnc2-c2ncccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1/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-/s2
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n/an/a 0.900n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Ca2+ Flux: 1321N1 cells expressing the recombinant human, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium...


US Patent US9040534 (2015)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM48901
PNG
(BDBM160086 | US9040534, 72)
Show SMILES C[C@H]1Cn2c(nnc2-c2ncccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1/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-/s2
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n/an/a 0.900n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Ca2+ Flux: 1321N1 cells expressing the recombinant human, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium...


US Patent US9040534 (2015)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173775
PNG
(US9102591, 2,3-dichloro-N-[[4,4-difluoro-1-[2-(tri...)
Show SMILES FC(F)(F)c1ncc(cn1)C1(CNC(=O)c2cccc(Cl)c2Cl)CCC(F)(F)CC1
Show InChI InChI=1S/C19H16Cl2F5N3O/c20-13-3-1-2-12(14(13)21)15(30)29-10-17(4-6-18(22,23)7-5-17)11-8-27-16(28-9-11)19(24,25)26/h1-3,8-9H,4-7,10H2,(H,29,30)
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n/an/a 0.950n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173668
PNG
(US9102591, 2,3-dichloro-N-((4,4-difluoro-1-(6-meth...)
Show SMILES COc1ccc(cn1)C1(CNC(=O)c2cccc(Cl)c2Cl)CCC(F)(F)CC1
Show InChI InChI=1S/C20H20Cl2F2N2O2/c1-28-16-6-5-13(11-25-16)19(7-9-20(23,24)10-8-19)12-26-18(27)14-3-2-4-15(21)17(14)22/h2-6,11H,7-10,12H2,1H3,(H,26,27)
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n/an/a 0.960n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160072
PNG
(US9040534, 13)
Show SMILES C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(Cl)c1Cl
Show InChI InChI=1/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-/s2
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n/an/a 1n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50414306
PNG
(CHEMBL556680)
Show SMILES O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc2c1ccn(CC1CCCN1)c2=O
Show InChI InChI=1S/C26H33N3O2/c30-24(15-26-12-17-9-18(13-26)11-19(10-17)14-26)28-23-5-1-4-22-21(23)6-8-29(25(22)31)16-20-3-2-7-27-20/h1,4-6,8,17-20,27H,2-3,7,9-16H2,(H,28,30)
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n/an/a 1n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7 receptor in human THP1 cells assessed as inhibition of BzATP-induced ethidium uptake


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50135425
PNG
(4-{2-(Isoquinoline-5-sulfonylamino)-3-[4-(isoquino...)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C(Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)NS(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C36H37N5O8S2/c1-36(2,3)48-35(43)41-20-18-40(19-21-41)34(42)31(39-50(44,45)32-8-4-6-26-23-37-16-14-29(26)32)22-25-10-12-28(13-11-25)49-51(46,47)33-9-5-7-27-24-38-17-15-30(27)33/h4-17,23-24,31,39H,18-22H2,1-3H3
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n/an/a 1n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Antagonistic activity against P2X7 receptor


Bioorg Med Chem Lett 13: 4047-50 (2003)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160077
PNG
(US9040534, 18)
Show SMILES C[C@H]1Cn2c(nnc2-c2ccccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1/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-/s2
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n/an/a<1n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Ca2+ Flux: 1321N1 cells expressing the recombinant human, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium...


US Patent US9040534 (2015)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160076
PNG
(US9040534, 17)
Show SMILES C[C@H]1Cn2c(nnc2-c2ccc(F)cc2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1/C20H15ClF4N4O/c1-11-9-29-17(12-5-7-14(22)8-6-12)26-27-18(29)19(30)28(11)10-13-3-2-4-15(16(13)21)20(23,24)25/h2-8,11H,9-10H2,1H3/t11-/s2
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n/an/a<1n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Ca2+ Flux: 1321N1 cells expressing the recombinant human, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium...


US Patent US9040534 (2015)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160072
PNG
(US9040534, 13)
Show SMILES C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(Cl)c1Cl
Show InChI InChI=1/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-/s2
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n/an/a 1n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Ca2+ Flux: 1321N1 cells expressing the recombinant human, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium...


US Patent US9040534 (2015)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160135
PNG
(US9040534, 76)
Show SMILES CC[C@H]1Cn2c(nnc2-c2ccc(F)cn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1/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-/s2
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n/an/a<1n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Ca2+ Flux: 1321N1 cells expressing the recombinant human, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium...


US Patent US9040534 (2015)

More data for this
Ligand-Target Pair
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