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Patent code US9718812

Compile Data Set for Download or QSAR

Found 213 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


(Homo sapiens (Human))
BDBM267123
PNG
(2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-...)
Show SMILES Cc1cccc(Cl)c1C(=O)NCC(N1CCC(F)(F)CC1)c1cncs1
Show InChI InChI=1S/C18H20ClF2N3OS/c1-12-3-2-4-13(19)16(12)17(25)23-9-14(15-10-22-11-26-15)24-7-5-18(20,21)6-8-24/h2-4,10-11,14H,5-9H2,1H3,(H,23,25)
PDB

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n/an/a 8n/an/an/an/an/an/a



Axxam S.P.A.

US Patent


Assay Description
Extracellular binding of Bz-ATP to P2X7 receptor opens the channel and allows Ca2+ influx into the cells. This Ca2+ entry was measured in HEK-293 cel...


US Patent US9718812 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM267120
PNG
(2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-[2-(t...)
Show SMILES Fc1cccc(Cl)c1C(=O)NCC(N1CCC(F)(F)CC1)c1cnc(s1)C(F)(F)F
Show InChI InChI=1S/C18H16ClF6N3OS/c19-10-2-1-3-11(20)14(10)15(29)26-8-12(28-6-4-17(21,22)5-7-28)13-9-27-16(30-13)18(23,24)25/h1-3,9,12H,4-8H2,(H,26,29)
PDB

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n/an/a 16n/an/an/an/an/an/a



Axxam S.P.A.

US Patent


Assay Description
YO-PROŽ-1 is a fluorescent DNA-binding dye with a MW of 374 Da (Molecular Probes, cat. Y3603). This method is based upon the presumed ability of YO-P...


US Patent US9718812 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM267170
PNG
(N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-...)
Show SMILES Cc1ncc(s1)C(CNC(=O)c1c(C)cccc1C)N1CCC(F)(F)CC1
Show InChI InChI=1S/C20H25F2N3OS/c1-13-5-4-6-14(2)18(13)19(26)24-11-16(17-12-23-15(3)27-17)25-9-7-20(21,22)8-10-25/h4-6,12,16H,7-11H2,1-3H3,(H,24,26)
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Axxam S.P.A.

US Patent


Assay Description
YO-PROŽ-1 is a fluorescent DNA-binding dye with a MW of 374 Da (Molecular Probes, cat. Y3603). This method is based upon the presumed ability of YO-P...


US Patent US9718812 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM267176
PNG
(N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-oxazol-5-...)
Show SMILES Cc1cccc(C)c1C(=O)NCC(N1CCC(F)(F)CC1)c1cnco1
Show InChI InChI=1S/C19H23F2N3O2/c1-13-4-3-5-14(2)17(13)18(25)23-10-15(16-11-22-12-26-16)24-8-6-19(20,21)7-9-24/h3-5,11-12,15H,6-10H2,1-2H3,(H,23,25)
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n/an/a 18n/an/an/an/an/an/a



Axxam S.P.A.

US Patent


Assay Description
Extracellular binding of Bz-ATP to P2X7 receptor opens the channel and allows Ca2+ influx into the cells. This Ca2+ entry was measured in HEK-293 cel...


US Patent US9718812 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM267168
PNG
(2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-me...)
Show SMILES Cc1ncc(s1)C(CNC(=O)c1c(C)cccc1Cl)N1CCC(F)(F)CC1
Show InChI InChI=1S/C19H22ClF2N3OS/c1-12-4-3-5-14(20)17(12)18(26)24-10-15(16-11-23-13(2)27-16)25-8-6-19(21,22)7-9-25/h3-5,11,15H,6-10H2,1-2H3,(H,24,26)
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n/an/a 18n/an/an/an/an/an/a



Axxam S.P.A.

US Patent


Assay Description
YO-PROŽ-1 is a fluorescent DNA-binding dye with a MW of 374 Da (Molecular Probes, cat. Y3603). This method is based upon the presumed ability of YO-P...


US Patent US9718812 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM267223
PNG
(2-chloro-N-{2-[4-(difluoromethyl)-1,3-thiazol-5-yl...)
Show SMILES FC(F)c1ncsc1C(CNC(=O)c1c(F)cccc1Cl)N1CCOCC1
Show InChI InChI=1S/C17H17ClF3N3O2S/c18-10-2-1-3-11(19)13(10)17(25)22-8-12(24-4-6-26-7-5-24)15-14(16(20)21)23-9-27-15/h1-3,9,12,16H,4-8H2,(H,22,25)
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n/an/a 22n/an/an/an/an/an/a



Axxam S.P.A.

US Patent


Assay Description
Extracellular binding of Bz-ATP to P2X7 receptor opens the channel and allows Ca2+ influx into the cells. This Ca2+ entry was measured in HEK-293 cel...


US Patent US9718812 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM267212
PNG
(2-chloro-N-[2-(3,3-difluoropiperidin-1-yl)-2-(4-me...)
Show SMILES Cc1ncsc1C(CNC(=O)c1cc(ccc1Cl)-c1ncc(F)cn1)N1CCCC(F)(F)C1
Show InChI InChI=1S/C22H21ClF3N5OS/c1-13-19(33-12-30-13)18(31-6-2-5-22(25,26)11-31)10-29-21(32)16-7-14(3-4-17(16)23)20-27-8-15(24)9-28-20/h3-4,7-9,12,18H,2,5-6,10-11H2,1H3,(H,29,32)
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n/an/a 22n/an/an/an/an/an/a



Axxam S.P.A.

US Patent


Assay Description
Extracellular binding of Bz-ATP to P2X7 receptor opens the channel and allows Ca2+ influx into the cells. This Ca2+ entry was measured in HEK-293 cel...


US Patent US9718812 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM267215
PNG
((+)-2-chloro-N-[2-(4,4-difluoro-piperidin-1-yl)-2-...)
Show SMILES Cc1ncc(s1)C(CNC(=O)c1cc(ccc1Cl)-c1ncc(F)cn1)N1CCC(F)(F)CC1
Show InChI InChI=1S/C22H21ClF3N5OS/c1-13-27-12-19(33-13)18(31-6-4-22(25,26)5-7-31)11-30-21(32)16-8-14(2-3-17(16)23)20-28-9-15(24)10-29-20/h2-3,8-10,12,18H,4-7,11H2,1H3,(H,30,32)
PDB

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n/an/a 22n/an/an/an/an/an/a



Axxam S.P.A.

US Patent


Assay Description
YO-PROŽ-1 is a fluorescent DNA-binding dye with a MW of 374 Da (Molecular Probes, cat. Y3603). This method is based upon the presumed ability of YO-P...


US Patent US9718812 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM267217
PNG
((-)-2-chloro-N-[2-(4,4-difluoro-piperidin-1-yl)-2-...)
Show SMILES Cc1ncc(s1)C(CNC(=O)c1cc(ccc1Cl)-c1ncc(F)cn1)N1CCC(F)(F)CC1
Show InChI InChI=1S/C22H21ClF3N5OS/c1-13-27-12-19(33-13)18(31-6-4-22(25,26)5-7-31)11-30-21(32)16-8-14(2-3-17(16)23)20-28-9-15(24)10-29-20/h2-3,8-10,12,18H,4-7,11H2,1H3,(H,30,32)
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n/an/a 24n/an/an/an/an/an/a



Axxam S.P.A.

US Patent


Assay Description
YO-PROŽ-1 is a fluorescent DNA-binding dye with a MW of 374 Da (Molecular Probes, cat. Y3603). This method is based upon the presumed ability of YO-P...


US Patent US9718812 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM267121
PNG
(N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5...)
Show SMILES Cc1cccc(C)c1C(=O)NCC(N1CCC(F)(F)CC1)c1cncs1
Show InChI InChI=1S/C19H23F2N3OS/c1-13-4-3-5-14(2)17(13)18(25)23-10-15(16-11-22-12-26-16)24-8-6-19(20,21)7-9-24/h3-5,11-12,15H,6-10H2,1-2H3,(H,23,25)
PDB

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n/an/a 24n/an/an/an/an/an/a



Axxam S.P.A.

US Patent


Assay Description
YO-PROŽ-1 is a fluorescent DNA-binding dye with a MW of 374 Da (Molecular Probes, cat. Y3603). This method is based upon the presumed ability of YO-P...


US Patent US9718812 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM267223
PNG
(2-chloro-N-{2-[4-(difluoromethyl)-1,3-thiazol-5-yl...)
Show SMILES FC(F)c1ncsc1C(CNC(=O)c1c(F)cccc1Cl)N1CCOCC1
Show InChI InChI=1S/C17H17ClF3N3O2S/c18-10-2-1-3-11(19)13(10)17(25)22-8-12(24-4-6-26-7-5-24)15-14(16(20)21)23-9-27-15/h1-3,9,12,16H,4-8H2,(H,22,25)
PDB

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n/an/a 26n/an/an/an/an/an/a



Axxam S.P.A.

US Patent


Assay Description
YO-PROŽ-1 is a fluorescent DNA-binding dye with a MW of 374 Da (Molecular Probes, cat. Y3603). This method is based upon the presumed ability of YO-P...


US Patent US9718812 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM267121
PNG
(N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5...)
Show SMILES Cc1cccc(C)c1C(=O)NCC(N1CCC(F)(F)CC1)c1cncs1
Show InChI InChI=1S/C19H23F2N3OS/c1-13-4-3-5-14(2)17(13)18(25)23-10-15(16-11-22-12-26-16)24-8-6-19(20,21)7-9-24/h3-5,11-12,15H,6-10H2,1-2H3,(H,23,25)
PDB

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n/an/a 27n/an/an/an/an/an/a



Axxam S.P.A.

US Patent


Assay Description
Extracellular binding of Bz-ATP to P2X7 receptor opens the channel and allows Ca2+ influx into the cells. This Ca2+ entry was measured in HEK-293 cel...


US Patent US9718812 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM267219
PNG
(US9718812, 129)
Show SMILES FC(F)c1ncsc1C(CNC(=O)c1cc(ccc1Cl)-c1ncc(F)cn1)N1CCOCC1
Show InChI InChI=1S/C21H19ClF3N5O2S/c22-15-2-1-12(20-26-8-13(23)9-27-20)7-14(15)21(31)28-10-16(30-3-5-32-6-4-30)18-17(19(24)25)29-11-33-18/h1-2,7-9,11,16,19H,3-6,10H2,(H,28,31)
PDB

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n/an/a 27n/an/an/an/an/an/a



Axxam S.P.A.

US Patent


Assay Description
YO-PROŽ-1 is a fluorescent DNA-binding dye with a MW of 374 Da (Molecular Probes, cat. Y3603). This method is based upon the presumed ability of YO-P...


US Patent US9718812 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM267109
PNG
(2-chloro-N-[2-(4,4-difluoro-piperidin-1-yl)-2-(1,3...)
Show SMILES Fc1cccc(Cl)c1C(=O)NCC(N1CCC(F)(F)CC1)c1cncs1
Show InChI InChI=1S/C17H17ClF3N3OS/c18-11-2-1-3-12(19)15(11)16(25)23-8-13(14-9-22-10-26-14)24-6-4-17(20,21)5-7-24/h1-3,9-10,13H,4-8H2,(H,23,25)
PDB

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n/an/a 28n/an/an/an/an/an/a



Axxam S.P.A.

US Patent


Assay Description
Extracellular binding of Bz-ATP to P2X7 receptor opens the channel and allows Ca2+ influx into the cells. This Ca2+ entry was measured in HEK-293 cel...


US Patent US9718812 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM267108
PNG
((+)-2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(...)
Show SMILES Cc1ncsc1C(CNC(=O)c1cc(ccc1Cl)-c1ncc(F)cn1)N1CCC(F)(F)CC1
Show InChI InChI=1S/C22H21ClF3N5OS/c1-13-19(33-12-30-13)18(31-6-4-22(25,26)5-7-31)11-29-21(32)16-8-14(2-3-17(16)23)20-27-9-15(24)10-28-20/h2-3,8-10,12,18H,4-7,11H2,1H3,(H,29,32)
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n/an/a 28n/an/an/an/an/an/a



Axxam S.P.A.

US Patent


Assay Description
YO-PROŽ-1 is a fluorescent DNA-binding dye with a MW of 374 Da (Molecular Probes, cat. Y3603). This method is based upon the presumed ability of YO-P...


US Patent US9718812 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM267134
PNG
(2-chloro-N-[2-(2-cyclopropyl-1,3-thiazol-5-yl)-2-(...)
Show SMILES Fc1cccc(Cl)c1C(=O)NCC(N1CCC(F)(F)CC1)c1cnc(s1)C1CC1
Show InChI InChI=1S/C20H21ClF3N3OS/c21-13-2-1-3-14(22)17(13)18(28)25-10-15(27-8-6-20(23,24)7-9-27)16-11-26-19(29-16)12-4-5-12/h1-3,11-12,15H,4-10H2,(H,25,28)
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n/an/a 28n/an/an/an/an/an/a



Axxam S.P.A.

US Patent


Assay Description
YO-PROŽ-1 is a fluorescent DNA-binding dye with a MW of 374 Da (Molecular Probes, cat. Y3603). This method is based upon the presumed ability of YO-P...


US Patent US9718812 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM267168
PNG
(2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-me...)
Show SMILES Cc1ncc(s1)C(CNC(=O)c1c(C)cccc1Cl)N1CCC(F)(F)CC1
Show InChI InChI=1S/C19H22ClF2N3OS/c1-12-4-3-5-14(20)17(12)18(26)24-10-15(16-11-23-13(2)27-16)25-8-6-19(21,22)7-9-25/h3-5,11,15H,6-10H2,1-2H3,(H,24,26)
PDB

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n/an/a 28n/an/an/an/an/an/a



Axxam S.P.A.

US Patent


Assay Description
Extracellular binding of Bz-ATP to P2X7 receptor opens the channel and allows Ca2+ influx into the cells. This Ca2+ entry was measured in HEK-293 cel...


US Patent US9718812 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM267102
PNG
(2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-me...)
Show SMILES Cc1ncsc1C(CNC(=O)c1cc(ccc1Cl)-c1cnccn1)N1CCC(F)(F)CC1
Show InChI InChI=1S/C22H22ClF2N5OS/c1-14-20(32-13-29-14)19(30-8-4-22(24,25)5-9-30)12-28-21(31)16-10-15(2-3-17(16)23)18-11-26-6-7-27-18/h2-3,6-7,10-11,13,19H,4-5,8-9,12H2,1H3,(H,28,31)
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n/an/a 30n/an/an/an/an/an/a



Axxam S.P.A.

US Patent


Assay Description
Extracellular binding of Bz-ATP to P2X7 receptor opens the channel and allows Ca2+ influx into the cells. This Ca2+ entry was measured in HEK-293 cel...


US Patent US9718812 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM267133
PNG
(2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-...)
Show SMILES Fc1cnc(nc1)-c1ccc(Cl)c(c1)C(=O)NCC(N1CCC(F)(F)CC1)c1cncs1
Show InChI InChI=1S/C21H19ClF3N5OS/c22-16-2-1-13(19-27-8-14(23)9-28-19)7-15(16)20(31)29-10-17(18-11-26-12-32-18)30-5-3-21(24,25)4-6-30/h1-2,7-9,11-12,17H,3-6,10H2,(H,29,31)
PDB

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n/an/a 30n/an/an/an/an/an/a



Axxam S.P.A.

US Patent


Assay Description
YO-PROŽ-1 is a fluorescent DNA-binding dye with a MW of 374 Da (Molecular Probes, cat. Y3603). This method is based upon the presumed ability of YO-P...


US Patent US9718812 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM267170
PNG
(N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-...)
Show SMILES Cc1ncc(s1)C(CNC(=O)c1c(C)cccc1C)N1CCC(F)(F)CC1
Show InChI InChI=1S/C20H25F2N3OS/c1-13-5-4-6-14(2)18(13)19(26)24-11-16(17-12-23-15(3)27-17)25-9-7-20(21,22)8-10-25/h4-6,12,16H,7-11H2,1-3H3,(H,24,26)
PDB

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n/an/a 30n/an/an/an/an/an/a



Axxam S.P.A.

US Patent


Assay Description
Extracellular binding of Bz-ATP to P2X7 receptor opens the channel and allows Ca2+ influx into the cells. This Ca2+ entry was measured in HEK-293 cel...


US Patent US9718812 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM267108
PNG
((+)-2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(...)
Show SMILES Cc1ncsc1C(CNC(=O)c1cc(ccc1Cl)-c1ncc(F)cn1)N1CCC(F)(F)CC1
Show InChI InChI=1S/C22H21ClF3N5OS/c1-13-19(33-12-30-13)18(31-6-4-22(25,26)5-7-31)11-29-21(32)16-8-14(2-3-17(16)23)20-27-9-15(24)10-28-20/h2-3,8-10,12,18H,4-7,11H2,1H3,(H,29,32)
PDB

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n/an/a 30n/an/an/an/an/an/a



Axxam S.P.A.

US Patent


Assay Description
Extracellular binding of Bz-ATP to P2X7 receptor opens the channel and allows Ca2+ influx into the cells. This Ca2+ entry was measured in HEK-293 cel...


US Patent US9718812 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM267135
PNG
(N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5...)
Show SMILES COc1cccc(C(=O)NCC(N2CCC(F)(F)CC2)c2cncs2)c1OC
Show InChI InChI=1S/C19H23F2N3O3S/c1-26-15-5-3-4-13(17(15)27-2)18(25)23-10-14(16-11-22-12-28-16)24-8-6-19(20,21)7-9-24/h3-5,11-12,14H,6-10H2,1-2H3,(H,23,25)
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Axxam S.P.A.

US Patent


Assay Description
Extracellular binding of Bz-ATP to P2X7 receptor opens the channel and allows Ca2+ influx into the cells. This Ca2+ entry was measured in HEK-293 cel...


US Patent US9718812 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM267151
PNG
(2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-me...)
Show SMILES Cc1ncsc1C(CNC(=O)c1c(F)cccc1Cl)N1CCC(F)(F)CC1
Show InChI InChI=1S/C18H19ClF3N3OS/c1-11-16(27-10-24-11)14(25-7-5-18(21,22)6-8-25)9-23-17(26)15-12(19)3-2-4-13(15)20/h2-4,10,14H,5-9H2,1H3,(H,23,26)
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Axxam S.P.A.

US Patent


Assay Description
Extracellular binding of Bz-ATP to P2X7 receptor opens the channel and allows Ca2+ influx into the cells. This Ca2+ entry was measured in HEK-293 cel...


US Patent US9718812 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM267190
PNG
(N-{2-[2-(4,4-difluorocyclohexyl)-1,3-thiazol-5-yl]...)
Show SMILES FC1(F)CCC(CC1)c1ncc(s1)C(CNC(=O)c1cccc2ncccc12)N1CCOCC1
Show InChI InChI=1S/C25H28F2N4O2S/c26-25(27)8-6-17(7-9-25)24-30-16-22(34-24)21(31-11-13-33-14-12-31)15-29-23(32)19-3-1-5-20-18(19)4-2-10-28-20/h1-5,10,16-17,21H,6-9,11-15H2,(H,29,32)
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Axxam S.P.A.

US Patent


Assay Description
YO-PROŽ-1 is a fluorescent DNA-binding dye with a MW of 374 Da (Molecular Probes, cat. Y3603). This method is based upon the presumed ability of YO-P...


US Patent US9718812 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM267098
PNG
(N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-...)
Show SMILES Cc1ncsc1C(CNC(=O)c1cc(ccc1F)-c1ncc(F)cn1)N1CCC(F)(F)CC1
Show InChI InChI=1S/C22H21F4N5OS/c1-13-19(33-12-30-13)18(31-6-4-22(25,26)5-7-31)11-29-21(32)16-8-14(2-3-17(16)24)20-27-9-15(23)10-28-20/h2-3,8-10,12,18H,4-7,11H2,1H3,(H,29,32)
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Axxam S.P.A.

US Patent


Assay Description
Extracellular binding of Bz-ATP to P2X7 receptor opens the channel and allows Ca2+ influx into the cells. This Ca2+ entry was measured in HEK-293 cel...


US Patent US9718812 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM267125
PNG
(5-amino-2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)...)
Show SMILES Nc1ccc(Cl)c(c1)C(=O)NCC(N1CCC(F)(F)CC1)c1cncs1
Show InChI InChI=1S/C17H19ClF2N4OS/c18-13-2-1-11(21)7-12(13)16(25)23-8-14(15-9-22-10-26-15)24-5-3-17(19,20)4-6-24/h1-2,7,9-10,14H,3-6,8,21H2,(H,23,25)
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Axxam S.P.A.

US Patent


Assay Description
Extracellular binding of Bz-ATP to P2X7 receptor opens the channel and allows Ca2+ influx into the cells. This Ca2+ entry was measured in HEK-293 cel...


US Patent US9718812 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM267156
PNG
(N-{2-[2-(2,4-difluorophenyl)morpholin-4-yl]-2-(4-m...)
Show SMILES Cc1ncsc1C(CNC(=O)c1cccc2ncccc12)N1CCOC(C1)c1ccc(F)cc1F
Show InChI InChI=1S/C26H24F2N4O2S/c1-16-25(35-15-31-16)23(13-30-26(33)19-4-2-6-22-18(19)5-3-9-29-22)32-10-11-34-24(14-32)20-8-7-17(27)12-21(20)28/h2-9,12,15,23-24H,10-11,13-14H2,1H3,(H,30,33)
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Axxam S.P.A.

US Patent


Assay Description
Extracellular binding of Bz-ATP to P2X7 receptor opens the channel and allows Ca2+ influx into the cells. This Ca2+ entry was measured in HEK-293 cel...


US Patent US9718812 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM267219
PNG
(US9718812, 129)
Show SMILES FC(F)c1ncsc1C(CNC(=O)c1cc(ccc1Cl)-c1ncc(F)cn1)N1CCOCC1
Show InChI InChI=1S/C21H19ClF3N5O2S/c22-15-2-1-12(20-26-8-13(23)9-27-20)7-14(15)21(31)28-10-16(30-3-5-32-6-4-30)18-17(19(24)25)29-11-33-18/h1-2,7-9,11,16,19H,3-6,10H2,(H,28,31)
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Axxam S.P.A.

US Patent


Assay Description
Extracellular binding of Bz-ATP to P2X7 receptor opens the channel and allows Ca2+ influx into the cells. This Ca2+ entry was measured in HEK-293 cel...


US Patent US9718812 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM267163
PNG
(2-chloro-N-{2-[4-(difluoromethyl)-1,3-thiazol-5-yl...)
Show SMILES FC(F)c1ncsc1C(CNC(=O)c1cc(ccc1Cl)-c1ncc(F)cn1)N1CCC(F)(F)CC1
Show InChI InChI=1S/C22H19ClF5N5OS/c23-15-2-1-12(20-29-8-13(24)9-30-20)7-14(15)21(34)31-10-16(18-17(19(25)26)32-11-35-18)33-5-3-22(27,28)4-6-33/h1-2,7-9,11,16,19H,3-6,10H2,(H,31,34)
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Axxam S.P.A.

US Patent


Assay Description
YO-PROŽ-1 is a fluorescent DNA-binding dye with a MW of 374 Da (Molecular Probes, cat. Y3603). This method is based upon the presumed ability of YO-P...


US Patent US9718812 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM267133
PNG
(2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-...)
Show SMILES Fc1cnc(nc1)-c1ccc(Cl)c(c1)C(=O)NCC(N1CCC(F)(F)CC1)c1cncs1
Show InChI InChI=1S/C21H19ClF3N5OS/c22-16-2-1-13(19-27-8-14(23)9-28-19)7-15(16)20(31)29-10-17(18-11-26-12-32-18)30-5-3-21(24,25)4-6-30/h1-2,7-9,11-12,17H,3-6,10H2,(H,29,31)
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Axxam S.P.A.

US Patent


Assay Description
Extracellular binding of Bz-ATP to P2X7 receptor opens the channel and allows Ca2+ influx into the cells. This Ca2+ entry was measured in HEK-293 cel...


US Patent US9718812 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM267178
PNG
(2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-...)
Show SMILES Fc1cnc(nc1)-c1ccc(Cl)c(c1)C(=O)NCC(N1CCC(F)(F)CC1)c1cnco1
Show InChI InChI=1S/C21H19ClF3N5O2/c22-16-2-1-13(19-27-8-14(23)9-28-19)7-15(16)20(31)29-10-17(18-11-26-12-32-18)30-5-3-21(24,25)4-6-30/h1-2,7-9,11-12,17H,3-6,10H2,(H,29,31)
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Axxam S.P.A.

US Patent


Assay Description
YO-PROŽ-1 is a fluorescent DNA-binding dye with a MW of 374 Da (Molecular Probes, cat. Y3603). This method is based upon the presumed ability of YO-P...


US Patent US9718812 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM267134
PNG
(2-chloro-N-[2-(2-cyclopropyl-1,3-thiazol-5-yl)-2-(...)
Show SMILES Fc1cccc(Cl)c1C(=O)NCC(N1CCC(F)(F)CC1)c1cnc(s1)C1CC1
Show InChI InChI=1S/C20H21ClF3N3OS/c21-13-2-1-3-14(22)17(13)18(28)25-10-15(27-8-6-20(23,24)7-9-27)16-11-26-19(29-16)12-4-5-12/h1-3,11-12,15H,4-10H2,(H,25,28)
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Axxam S.P.A.

US Patent


Assay Description
Extracellular binding of Bz-ATP to P2X7 receptor opens the channel and allows Ca2+ influx into the cells. This Ca2+ entry was measured in HEK-293 cel...


US Patent US9718812 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM267184
PNG
(2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-[2-(h...)
Show SMILES OCc1ncc(s1)C(CNC(=O)c1cc(ccc1Cl)-c1ncc(F)cn1)N1CCC(F)(F)CC1
Show InChI InChI=1S/C22H21ClF3N5O2S/c23-16-2-1-13(20-28-8-14(24)9-29-20)7-15(16)21(33)30-10-17(18-11-27-19(12-32)34-18)31-5-3-22(25,26)4-6-31/h1-2,7-9,11,17,32H,3-6,10,12H2,(H,30,33)
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Axxam S.P.A.

US Patent


Assay Description
YO-PROŽ-1 is a fluorescent DNA-binding dye with a MW of 374 Da (Molecular Probes, cat. Y3603). This method is based upon the presumed ability of YO-P...


US Patent US9718812 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM267149
PNG
(2,6-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-(1...)
Show SMILES Cc1ncsc1C(CNC(=O)c1c(C)cccc1C)N1CCc2ccccc2C1
Show InChI InChI=1S/C24H27N3OS/c1-16-7-6-8-17(2)22(16)24(28)25-13-21(23-18(3)26-15-29-23)27-12-11-19-9-4-5-10-20(19)14-27/h4-10,15,21H,11-14H2,1-3H3,(H,25,28)
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Axxam S.P.A.

US Patent


Assay Description
YO-PROŽ-1 is a fluorescent DNA-binding dye with a MW of 374 Da (Molecular Probes, cat. Y3603). This method is based upon the presumed ability of YO-P...


US Patent US9718812 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM267123
PNG
(2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-...)
Show SMILES Cc1cccc(Cl)c1C(=O)NCC(N1CCC(F)(F)CC1)c1cncs1
Show InChI InChI=1S/C18H20ClF2N3OS/c1-12-3-2-4-13(19)16(12)17(25)23-9-14(15-10-22-11-26-15)24-7-5-18(20,21)6-8-24/h2-4,10-11,14H,5-9H2,1H3,(H,23,25)
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Axxam S.P.A.

US Patent


Assay Description
YO-PROŽ-1 is a fluorescent DNA-binding dye with a MW of 374 Da (Molecular Probes, cat. Y3603). This method is based upon the presumed ability of YO-P...


US Patent US9718812 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM267120
PNG
(2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-[2-(t...)
Show SMILES Fc1cccc(Cl)c1C(=O)NCC(N1CCC(F)(F)CC1)c1cnc(s1)C(F)(F)F
Show InChI InChI=1S/C18H16ClF6N3OS/c19-10-2-1-3-11(20)14(10)15(29)26-8-12(28-6-4-17(21,22)5-7-28)13-9-27-16(30-13)18(23,24)25/h1-3,9,12H,4-8H2,(H,26,29)
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Axxam S.P.A.

US Patent


Assay Description
Extracellular binding of Bz-ATP to P2X7 receptor opens the channel and allows Ca2+ influx into the cells. This Ca2+ entry was measured in HEK-293 cel...


US Patent US9718812 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM267210
PNG
(2-chloro-N-[2-(3,3-difluoroazetidin-1-yl)-2-(4-met...)
Show SMILES Cc1ncsc1C(CNC(=O)c1cc(ccc1Cl)-c1ncc(F)cn1)N1CC(F)(F)C1
Show InChI InChI=1S/C20H17ClF3N5OS/c1-11-17(31-10-28-11)16(29-8-20(23,24)9-29)7-27-19(30)14-4-12(2-3-15(14)21)18-25-5-13(22)6-26-18/h2-6,10,16H,7-9H2,1H3,(H,27,30)
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Axxam S.P.A.

US Patent


Assay Description
Extracellular binding of Bz-ATP to P2X7 receptor opens the channel and allows Ca2+ influx into the cells. This Ca2+ entry was measured in HEK-293 cel...


US Patent US9718812 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM267137
PNG
(N-{2-[4-(benzyloxy)piperidin-1-yl]-2-(1,3-thiazol-...)
Show SMILES Cc1cccc(C)c1C(=O)NCC(N1CCC(CC1)OCc1ccccc1)c1cncs1
Show InChI InChI=1S/C26H31N3O2S/c1-19-7-6-8-20(2)25(19)26(30)28-15-23(24-16-27-18-32-24)29-13-11-22(12-14-29)31-17-21-9-4-3-5-10-21/h3-10,16,18,22-23H,11-15,17H2,1-2H3,(H,28,30)
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Axxam S.P.A.

US Patent


Assay Description
YO-PROŽ-1 is a fluorescent DNA-binding dye with a MW of 374 Da (Molecular Probes, cat. Y3603). This method is based upon the presumed ability of YO-P...


US Patent US9718812 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM267192
PNG
(2-chloro-N-{2-[2-(4,4-difluorocyclohexyl)-1,3-thia...)
Show SMILES Fc1cccc(Cl)c1C(=O)NCC(N1CCOCC1)c1cnc(s1)C1CCC(F)(F)CC1
Show InChI InChI=1S/C22H25ClF3N3O2S/c23-15-2-1-3-16(24)19(15)20(30)27-12-17(29-8-10-31-11-9-29)18-13-28-21(32-18)14-4-6-22(25,26)7-5-14/h1-3,13-14,17H,4-12H2,(H,27,30)
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Axxam S.P.A.

US Patent


Assay Description
YO-PROŽ-1 is a fluorescent DNA-binding dye with a MW of 374 Da (Molecular Probes, cat. Y3603). This method is based upon the presumed ability of YO-P...


US Patent US9718812 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM267157
PNG
(2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-me...)
Show SMILES Cc1ncsc1C(CNC(=O)c1cc(ccc1Cl)-c1ncc(F)cn1)N1CCC(F)(F)CC1
Show InChI InChI=1S/C22H21ClF3N5OS/c1-13-19(33-12-30-13)18(31-6-4-22(25,26)5-7-31)11-29-21(32)16-8-14(2-3-17(16)23)20-27-9-15(24)10-28-20/h2-3,8-10,12,18H,4-7,11H2,1H3,(H,29,32)
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Axxam S.P.A.

US Patent


Assay Description
YO-PROŽ-1 is a fluorescent DNA-binding dye with a MW of 374 Da (Molecular Probes, cat. Y3603). This method is based upon the presumed ability of YO-P...


US Patent US9718812 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM267141
PNG
(N-{2-[4-(benzyloxy)piperidin-1-yl]-2-(1,3-thiazol-...)
Show SMILES Fc1cccc(Cl)c1C(=O)NCC(N1CCC(CC1)OCc1ccccc1)c1cncs1
Show InChI InChI=1S/C24H25ClFN3O2S/c25-19-7-4-8-20(26)23(19)24(30)28-13-21(22-14-27-16-32-22)29-11-9-18(10-12-29)31-15-17-5-2-1-3-6-17/h1-8,14,16,18,21H,9-13,15H2,(H,28,30)
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Axxam S.P.A.

US Patent


Assay Description
YO-PROŽ-1 is a fluorescent DNA-binding dye with a MW of 374 Da (Molecular Probes, cat. Y3603). This method is based upon the presumed ability of YO-P...


US Patent US9718812 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM267158
PNG
(2-chloro-N-{2-[2-(2,4-difluorophenyl)morpholin-4-y...)
Show SMILES Cc1ncsc1C(CNC(=O)c1c(C)cccc1Cl)N1CCOC(C1)c1ccc(F)cc1F
Show InChI InChI=1S/C24H24ClF2N3O2S/c1-14-4-3-5-18(25)22(14)24(31)28-11-20(23-15(2)29-13-33-23)30-8-9-32-21(12-30)17-7-6-16(26)10-19(17)27/h3-7,10,13,20-21H,8-9,11-12H2,1-2H3,(H,28,31)
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Axxam S.P.A.

US Patent


Assay Description
YO-PROŽ-1 is a fluorescent DNA-binding dye with a MW of 374 Da (Molecular Probes, cat. Y3603). This method is based upon the presumed ability of YO-P...


US Patent US9718812 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM267178
PNG
(2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-...)
Show SMILES Fc1cnc(nc1)-c1ccc(Cl)c(c1)C(=O)NCC(N1CCC(F)(F)CC1)c1cnco1
Show InChI InChI=1S/C21H19ClF3N5O2/c22-16-2-1-13(19-27-8-14(23)9-28-19)7-15(16)20(31)29-10-17(18-11-26-12-32-18)30-5-3-21(24,25)4-6-30/h1-2,7-9,11-12,17H,3-6,10H2,(H,29,31)
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Axxam S.P.A.

US Patent


Assay Description
Extracellular binding of Bz-ATP to P2X7 receptor opens the channel and allows Ca2+ influx into the cells. This Ca2+ entry was measured in HEK-293 cel...


US Patent US9718812 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM267139
PNG
(N-{2-[4-(benzyloxy)piperidin-1-yl]-2-(1,3-thiazol-...)
Show SMILES Cc1cccc(Cl)c1C(=O)NCC(N1CCC(CC1)OCc1ccccc1)c1cncs1
Show InChI InChI=1S/C25H28ClN3O2S/c1-18-6-5-9-21(26)24(18)25(30)28-14-22(23-15-27-17-32-23)29-12-10-20(11-13-29)31-16-19-7-3-2-4-8-19/h2-9,15,17,20,22H,10-14,16H2,1H3,(H,28,30)
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Axxam S.P.A.

US Patent


Assay Description
YO-PROŽ-1 is a fluorescent DNA-binding dye with a MW of 374 Da (Molecular Probes, cat. Y3603). This method is based upon the presumed ability of YO-P...


US Patent US9718812 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM267153
PNG
(N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-...)
Show SMILES Cc1ncsc1C(CNC(=O)c1c(C)cccc1C)N1CCC(F)(F)CC1
Show InChI InChI=1S/C20H25F2N3OS/c1-13-5-4-6-14(2)17(13)19(26)23-11-16(18-15(3)24-12-27-18)25-9-7-20(21,22)8-10-25/h4-6,12,16H,7-11H2,1-3H3,(H,23,26)
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n/an/a 44n/an/an/an/an/an/a



Axxam S.P.A.

US Patent


Assay Description
YO-PROŽ-1 is a fluorescent DNA-binding dye with a MW of 374 Da (Molecular Probes, cat. Y3603). This method is based upon the presumed ability of YO-P...


US Patent US9718812 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM267143
PNG
(2,6-dimethyl-N-[2-(4-phenoxypiperidin-1-yl)-2-(1,3...)
Show SMILES Cc1cccc(C)c1C(=O)NCC(N1CCC(CC1)Oc1ccccc1)c1cncs1
Show InChI InChI=1S/C25H29N3O2S/c1-18-7-6-8-19(2)24(18)25(29)27-15-22(23-16-26-17-31-23)28-13-11-21(12-14-28)30-20-9-4-3-5-10-20/h3-10,16-17,21-22H,11-15H2,1-2H3,(H,27,29)
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Axxam S.P.A.

US Patent


Assay Description
YO-PROŽ-1 is a fluorescent DNA-binding dye with a MW of 374 Da (Molecular Probes, cat. Y3603). This method is based upon the presumed ability of YO-P...


US Patent US9718812 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM267180
PNG
(2-chloro-N-[2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4...)
Show SMILES Fc1cccc(Cl)c1C(=O)NCC(N1CCC(F)(F)CC1)c1cnc(s1)C1CCC1
Show InChI InChI=1S/C21H23ClF3N3OS/c22-14-5-2-6-15(23)18(14)19(29)26-11-16(28-9-7-21(24,25)8-10-28)17-12-27-20(30-17)13-3-1-4-13/h2,5-6,12-13,16H,1,3-4,7-11H2,(H,26,29)
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Axxam S.P.A.

US Patent


Assay Description
YO-PROŽ-1 is a fluorescent DNA-binding dye with a MW of 374 Da (Molecular Probes, cat. Y3603). This method is based upon the presumed ability of YO-P...


US Patent US9718812 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM267149
PNG
(2,6-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-(1...)
Show SMILES Cc1ncsc1C(CNC(=O)c1c(C)cccc1C)N1CCc2ccccc2C1
Show InChI InChI=1S/C24H27N3OS/c1-16-7-6-8-17(2)22(16)24(28)25-13-21(23-18(3)26-15-29-23)27-12-11-19-9-4-5-10-20(19)14-27/h4-10,15,21H,11-14H2,1-3H3,(H,25,28)
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Axxam S.P.A.

US Patent


Assay Description
Extracellular binding of Bz-ATP to P2X7 receptor opens the channel and allows Ca2+ influx into the cells. This Ca2+ entry was measured in HEK-293 cel...


US Patent US9718812 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM267128
PNG
(2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-et...)
Show SMILES CCc1ncc(s1)C(CNC(=O)c1c(F)cccc1Cl)N1CCC(F)(F)CC1
Show InChI InChI=1S/C19H21ClF3N3OS/c1-2-16-24-11-15(28-16)14(26-8-6-19(22,23)7-9-26)10-25-18(27)17-12(20)4-3-5-13(17)21/h3-5,11,14H,2,6-10H2,1H3,(H,25,27)
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Axxam S.P.A.

US Patent


Assay Description
YO-PROŽ-1 is a fluorescent DNA-binding dye with a MW of 374 Da (Molecular Probes, cat. Y3603). This method is based upon the presumed ability of YO-P...


US Patent US9718812 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM267141
PNG
(N-{2-[4-(benzyloxy)piperidin-1-yl]-2-(1,3-thiazol-...)
Show SMILES Fc1cccc(Cl)c1C(=O)NCC(N1CCC(CC1)OCc1ccccc1)c1cncs1
Show InChI InChI=1S/C24H25ClFN3O2S/c25-19-7-4-8-20(26)23(19)24(30)28-13-21(22-14-27-16-32-22)29-11-9-18(10-12-29)31-15-17-5-2-1-3-6-17/h1-8,14,16,18,21H,9-13,15H2,(H,28,30)
PDB

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n/an/a 48n/an/an/an/an/an/a



Axxam S.P.A.

US Patent


Assay Description
Extracellular binding of Bz-ATP to P2X7 receptor opens the channel and allows Ca2+ influx into the cells. This Ca2+ entry was measured in HEK-293 cel...


US Patent US9718812 (2017)

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