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Patent code US9150546

Compile Data Set for Download or QSAR

Found 325 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 3


(Homo sapiens (Human))
BDBM183070
PNG
(US9150546, I-020 | US9688643, I-020 | US9718790, I...)
Show SMILES CC(C)n1c(=O)nc(Nc2cccc(c2)C(F)(F)F)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C20H18ClF3N4O2/c1-12(2)28-18(29)26-17(25-16-5-3-4-14(10-16)20(22,23)24)27(19(28)30)11-13-6-8-15(21)9-7-13/h3-10,12H,11H2,1-2H3,(H,25,26,29)
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US Patent
n/an/a 389n/an/an/an/a7.537



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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183086
PNG
(US9150546, I-164 | US9688643, I-164 | US9718790, I...)
Show SMILES CC(C)n1c(=O)nc(Nc2ccc(Oc3ccccc3)cc2)n(Cc2ccc(Cl)cn2)c1=O
Show InChI InChI=1S/C24H22ClN5O3/c1-16(2)30-23(31)28-22(29(24(30)32)15-19-9-8-17(25)14-26-19)27-18-10-12-21(13-11-18)33-20-6-4-3-5-7-20/h3-14,16H,15H2,1-2H3,(H,27,28,31)
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US Patent
n/an/a 860n/an/an/an/a7.537



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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183087
PNG
(US9150546, I-181 | US9688643, I-181 | US9718790, I...)
Show SMILES CC(C)n1c(=O)nc(Nc2cccc(OC(F)(F)F)c2)n(Cc2ccc(F)cc2)c1=O
Show InChI InChI=1S/C20H18F4N4O3/c1-12(2)28-18(29)26-17(25-15-4-3-5-16(10-15)31-20(22,23)24)27(19(28)30)11-13-6-8-14(21)9-7-13/h3-10,12H,11H2,1-2H3,(H,25,26,29)
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US Patent
n/an/a 985n/an/an/an/a7.537



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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183096
PNG
(US9150546, I-227 | US9688643, I-227 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2Cc2ccc(F)cc2)cc1C#N
Show InChI InChI=1S/C23H24FN5O3/c1-14(2)29-22(30)27-21(28(23(29)31)13-16-5-7-18(24)8-6-16)26-19-9-10-20(32-15(3)4)17(11-19)12-25/h5-11,14-15H,13H2,1-4H3,(H,26,27,30)
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n/an/a 970n/an/an/an/a7.537



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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183097
PNG
(US9150546, I-228 | US9688643, I-228 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl
Show InChI InChI=1S/C22H24Cl2N4O3/c1-13(2)28-21(29)26-20(25-17-9-10-19(18(24)11-17)31-14(3)4)27(22(28)30)12-15-5-7-16(23)8-6-15/h5-11,13-14H,12H2,1-4H3,(H,25,26,29)
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n/an/a 31n/an/an/an/a7.537



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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183104
PNG
(US9150546, I-241 | US9688643, I-241 | US9718790, I...)
Show SMILES CCOC(=O)COc1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl
Show InChI InChI=1S/C23H24Cl2N4O5/c1-4-33-20(30)13-34-19-10-9-17(11-18(19)25)26-21-27-22(31)29(14(2)3)23(32)28(21)12-15-5-7-16(24)8-6-15/h5-11,14H,4,12-13H2,1-3H3,(H,26,27,31)
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US Patent
n/an/a 447n/an/an/an/a7.537



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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183121
PNG
(US9150546, I-273 | US9688643, I-273 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CCO)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C21H22ClFN4O4/c1-13(2)31-18-8-7-16(11-17(18)23)24-19-25-20(29)26(9-10-28)21(30)27(19)12-14-3-5-15(22)6-4-14/h3-8,11,13,28H,9-10,12H2,1-2H3,(H,24,25,29)
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US Patent
n/an/a 38n/an/an/an/a7.537



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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183133
PNG
(US9150546, I-286 | US9688643, I-286 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(C(CO)CO)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C22H24ClFN4O5/c1-13(2)33-19-8-7-16(9-18(19)24)25-20-26-21(31)28(17(11-29)12-30)22(32)27(20)10-14-3-5-15(23)6-4-14/h3-9,13,17,29-30H,10-12H2,1-2H3,(H,25,26,31)
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n/an/a 277n/an/an/an/a7.537



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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183144
PNG
(US9150546, I-297 | US9688643, I-297 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CCC(=O)N(C)C)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C24H27ClFN5O4/c1-15(2)35-20-10-9-18(13-19(20)26)27-22-28-23(33)30(12-11-21(32)29(3)4)24(34)31(22)14-16-5-7-17(25)8-6-16/h5-10,13,15H,11-12,14H2,1-4H3,(H,27,28,33)
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US Patent
n/an/a 45n/an/an/an/a7.537



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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183147
PNG
(US9150546, I-300 | US9688643, I-300 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(Cc3ccccn3)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C25H23ClFN5O3/c1-16(2)35-22-11-10-19(13-21(22)27)29-23-30-24(33)32(15-20-5-3-4-12-28-20)25(34)31(23)14-17-6-8-18(26)9-7-17/h3-13,16H,14-15H2,1-2H3,(H,29,30,33)
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US Patent
n/an/a 25n/an/an/an/a7.537



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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183150
PNG
(US9150546, I-307 | US9688643, I-307 | US9718790, I...)
Show SMILES CCOc1ccc(Nc2nc(=O)n(CCO)c(=O)n2Cc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H21ClN4O4/c1-2-29-17-9-7-16(8-10-17)22-18-23-19(27)24(11-12-26)20(28)25(18)13-14-3-5-15(21)6-4-14/h3-10,26H,2,11-13H2,1H3,(H,22,23,27)
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n/an/a 250n/an/an/an/a7.537



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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183166
PNG
(US9150546, I-326 | US9688643, I-326 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CCCNC(C)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C24H27ClFN5O4/c1-15(2)35-21-10-9-19(13-20(21)26)28-22-29-23(33)30(12-4-11-27-16(3)32)24(34)31(22)14-17-5-7-18(25)8-6-17/h5-10,13,15H,4,11-12,14H2,1-3H3,(H,27,32)(H,28,29,33)
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n/an/a 11n/an/an/an/a7.537



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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183167
PNG
(US9150546, I-328 | US9688643, I-328 | US9718790, I...)
Show SMILES CC(C)Cc1ccc(Nc2nc(=O)n(CCO)c(=O)n2Cc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H25ClN4O3/c1-15(2)13-16-5-9-19(10-6-16)24-20-25-21(29)26(11-12-28)22(30)27(20)14-17-3-7-18(23)8-4-17/h3-10,15,28H,11-14H2,1-2H3,(H,24,25,29)
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n/an/a 124n/an/an/an/a7.537



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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183172
PNG
(US9150546, I-333 | US9688643, I-333 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CCO)c(=O)n2Cc2ccc(F)cc2)cc1F
Show InChI InChI=1S/C21H22F2N4O4/c1-13(2)31-18-8-7-16(11-17(18)23)24-19-25-20(29)26(9-10-28)21(30)27(19)12-14-3-5-15(22)6-4-14/h3-8,11,13,28H,9-10,12H2,1-2H3,(H,24,25,29)
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n/an/a 192n/an/an/an/a7.537



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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183175
PNG
(US9150546, I-338 | US9688643, I-338 | US9718790, I...)
Show SMILES COC(=O)Cn1c(=O)nc(Nc2ccc(OC(C)C)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C22H22ClFN4O5/c1-13(2)33-18-9-8-16(10-17(18)24)25-20-26-21(30)28(12-19(29)32-3)22(31)27(20)11-14-4-6-15(23)7-5-14/h4-10,13H,11-12H2,1-3H3,(H,25,26,30)
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n/an/a 53n/an/an/an/a7.537



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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183183
PNG
(US9150546, I-347 | US9688643, I-347 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CCO)c(=O)n2Cc2ccc(cc2)[N+]([O-])=O)cc1F
Show InChI InChI=1S/C21H22FN5O6/c1-13(2)33-18-8-5-15(11-17(18)22)23-19-24-20(29)25(9-10-28)21(30)26(19)12-14-3-6-16(7-4-14)27(31)32/h3-8,11,13,28H,9-10,12H2,1-2H3,(H,23,24,29)
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n/an/a 251n/an/an/an/a7.537



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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183184
PNG
(US9150546, I-348 | US9688643, I-348 | US9718790, I...)
Show SMILES CCCn1c(=O)nc(Nc2ccc(OC(C)C)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C22H24ClFN4O3/c1-4-11-27-21(29)26-20(25-17-9-10-19(18(24)12-17)31-14(2)3)28(22(27)30)13-15-5-7-16(23)8-6-15/h5-10,12,14H,4,11,13H2,1-3H3,(H,25,26,29)
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n/an/a 13n/an/an/an/a7.537



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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183203
PNG
(US9150546, I-367 | US9688643, I-367 | US9718790, I...)
Show SMILES OCC(CO)Cn1c(=O)nc(Nc2cccc(c2)C(F)(F)F)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C21H20ClF3N4O4/c22-16-6-4-13(5-7-16)9-28-18(26-17-3-1-2-15(8-17)21(23,24)25)27-19(32)29(20(28)33)10-14(11-30)12-31/h1-8,14,30-31H,9-12H2,(H,26,27,32)
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US Patent
n/an/a 40n/an/an/an/a7.537



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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183204
PNG
(US9150546, I-368 | US9688643, I-368 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CC(CO)CO)c(=O)n2Cc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C23H27ClN4O5/c1-15(2)33-20-9-7-19(8-10-20)25-21-26-22(31)28(12-17(13-29)14-30)23(32)27(21)11-16-3-5-18(24)6-4-16/h3-10,15,17,29-30H,11-14H2,1-2H3,(H,25,26,31)
PDB

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US Patent
n/an/a 41n/an/an/an/a7.537



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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183205
PNG
(US9150546, I-369 | US9688643, I-369 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CC(CO)CO)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl
Show InChI InChI=1S/C23H26Cl2N4O5/c1-14(2)34-20-8-7-18(9-19(20)25)26-21-27-22(32)29(11-16(12-30)13-31)23(33)28(21)10-15-3-5-17(24)6-4-15/h3-9,14,16,30-31H,10-13H2,1-2H3,(H,26,27,32)
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n/an/a 7n/an/an/an/a7.537



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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183207
PNG
(US9150546, I-371 | US9688643, I-371 | US9718790, I...)
Show SMILES CCOc1ccc(Nc2nc(=O)n(CC(CO)CO)c(=O)n2Cc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H25ClN4O5/c1-2-32-19-9-7-18(8-10-19)24-20-25-21(30)27(12-16(13-28)14-29)22(31)26(20)11-15-3-5-17(23)6-4-15/h3-10,16,28-29H,2,11-14H2,1H3,(H,24,25,30)
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n/an/a 63n/an/an/an/a7.537



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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183212
PNG
(US9150546, I-377 | US9718790, I-0377)
Show SMILES CS(=O)(=O)Nc1ccc(Nc2nc(=O)n(CCO)c(=O)n2Cc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C19H20ClN5O5S/c1-31(29,30)23-16-8-6-15(7-9-16)21-17-22-18(27)24(10-11-26)19(28)25(17)12-13-2-4-14(20)5-3-13/h2-9,23,26H,10-12H2,1H3,(H,21,22,27)
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n/an/a 755n/an/an/an/a7.537



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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183227
PNG
(US9150546, I-397 | US9688643, I-397 | US9718790, I...)
Show SMILES COC(=O)CNC(=O)Cn1c(=O)[nH]\c(=N/c2ccc(OC(C)C)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C24H25ClFN5O6/c1-14(2)37-19-9-8-17(10-18(19)26)28-22-29-23(34)31(13-20(32)27-11-21(33)36-3)24(35)30(22)12-15-4-6-16(25)7-5-15/h4-10,14H,11-13H2,1-3H3,(H,27,32)(H,28,29,34)
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n/an/a 19n/an/an/an/a7.537



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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183258
PNG
(US9150546, I-431 | US9688643, I-431 | US9718790, I...)
Show SMILES COC(=O)C(C)(C)Cn1c(=O)[nH]\c(=N/c2ccc(OC(C)C)c(C)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C26H31ClN4O5/c1-16(2)36-21-12-11-20(13-17(21)3)28-23-29-24(33)31(15-26(4,5)22(32)35-6)25(34)30(23)14-18-7-9-19(27)10-8-18/h7-13,16H,14-15H2,1-6H3,(H,28,29,33)
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n/an/a 4n/an/an/an/a7.537



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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183264
PNG
(US9150546, II-009 | US9688643, II-009 | US9718790,...)
Show SMILES CC(C)Oc1ccc(cc1Cl)\N=c1/[nH]c(OCC(O)=O)nc(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C21H20Cl2N4O5/c1-12(2)32-17-8-7-15(9-16(17)23)24-19-25-20(31-11-18(28)29)26-21(30)27(19)10-13-3-5-14(22)6-4-13/h3-9,12H,10-11H2,1-2H3,(H,28,29)(H,24,25,26,30)
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n/an/a 34n/an/an/an/a7.537



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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183266
PNG
(US9150546, I-434 | US9688643, I-434 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(cc1Cl)\N=c1/[nH]c(=O)n(CC(O)=O)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C21H20Cl2N4O5/c1-12(2)32-17-8-7-15(9-16(17)23)24-19-25-20(30)27(11-18(28)29)21(31)26(19)10-13-3-5-14(22)6-4-13/h3-9,12H,10-11H2,1-2H3,(H,28,29)(H,24,25,30)
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n/an/a 407n/an/an/an/a7.537



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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183270
PNG
(US9150546, I-438 | US9688643, I-438 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(cc1Cl)\N=c1/[nH]c(=O)n(CC(=O)NCC(N)=O)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C23H24Cl2N6O5/c1-13(2)36-18-8-7-16(9-17(18)25)28-21-29-22(34)31(12-20(33)27-10-19(26)32)23(35)30(21)11-14-3-5-15(24)6-4-14/h3-9,13H,10-12H2,1-2H3,(H2,26,32)(H,27,33)(H,28,29,34)
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n/an/a 5n/an/an/an/a7.537



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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183275
PNG
(US9150546, I-443 | US9688643, I-443 | US9718790, I...)
Show SMILES COC(=O)C(C)(C)Cn1c(=O)[nH]\c(=N/c2cccc(OC(F)F)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C23H23ClF2N4O5/c1-23(2,18(31)34-3)13-30-21(32)28-20(27-16-5-4-6-17(11-16)35-19(25)26)29(22(30)33)12-14-7-9-15(24)10-8-14/h4-11,19H,12-13H2,1-3H3,(H,27,28,32)
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n/an/a 207n/an/an/an/a7.537



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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183283
PNG
(US9150546, I-452 | US9688643, I-452 | US9718790, I...)
Show SMILES COC(=O)[C@H](C)Cn1c(=O)[nH]\c(=N/c2ccc(OC(C)C)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O |r|
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n/an/a 3n/an/an/an/a7.537



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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183285
PNG
(US9150546, I-454 | US9688643, I-454 | US9718790, I...)
Show SMILES CCOC(=O)c1ccccc1Cn1c(=O)[nH]\c(=N/c2ccc(OC(C)C)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C29H28ClFN4O5/c1-4-39-26(36)23-8-6-5-7-20(23)17-35-28(37)33-27(32-22-13-14-25(24(31)15-22)40-18(2)3)34(29(35)38)16-19-9-11-21(30)12-10-19/h5-15,18H,4,16-17H2,1-3H3,(H,32,33,37)
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n/an/a 24n/an/an/an/a7.537



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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183316
PNG
(US9150546, I-486 | US9688643, I-486 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(cc1C)\N=c1/[nH]c(=O)n(C[C@@H](C)C(O)=O)c(=O)n1Cc1ccc(Cl)cc1 |r|
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n/an/a 42n/an/an/an/a7.537



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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183319
PNG
(US9150546, I-489 | US9688643, I-489 | US9718790, I...)
Show SMILES COC(=O)C(C)(C)Cn1c(=O)[nH]\c(=N/c2ccc3oc(C)cc3c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C25H25ClN4O5/c1-15-11-17-12-19(9-10-20(17)35-15)27-22-28-23(32)30(14-25(2,3)21(31)34-4)24(33)29(22)13-16-5-7-18(26)8-6-16/h5-12H,13-14H2,1-4H3,(H,27,28,32)
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n/an/a 10n/an/an/an/a7.537



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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183320
PNG
(US9150546, I-490 | US9688643, I-490 | US9718790, I...)
Show SMILES COC(=O)C(C)(C)Cn1c(=O)[nH]\c(=N/c2ccc(CN(C)C)c(Cl)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C25H29Cl2N5O4/c1-25(2,21(33)36-5)15-32-23(34)29-22(28-19-11-8-17(14-30(3)4)20(27)12-19)31(24(32)35)13-16-6-9-18(26)10-7-16/h6-12H,13-15H2,1-5H3,(H,28,29,34)
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n/an/a 46n/an/an/an/a7.537



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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183336
PNG
(US9150546, I-506 | US9688643, I-506 | US9718790, I...)
Show SMILES COC(=O)C(C)(C)Cn1c(=O)[nH]\c(=N/c2ccc3n(CC(C)C)ccc3c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C28H32ClN5O4/c1-18(2)15-32-13-12-20-14-22(10-11-23(20)32)30-25-31-26(36)34(17-28(3,4)24(35)38-5)27(37)33(25)16-19-6-8-21(29)9-7-19/h6-14,18H,15-17H2,1-5H3,(H,30,31,36)
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n/an/a 279n/an/an/an/a7.537



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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183337
PNG
(US9150546, I-507 | US9688643, I-507 | US9718790, I...)
Show SMILES CCCn1ccc2cc(ccc12)\N=c1/[nH]c(=O)n(CC(C)(C)C(=O)OC)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C27H30ClN5O4/c1-5-13-31-14-12-19-15-21(10-11-22(19)31)29-24-30-25(35)33(17-27(2,3)23(34)37-4)26(36)32(24)16-18-6-8-20(28)9-7-18/h6-12,14-15H,5,13,16-17H2,1-4H3,(H,29,30,35)
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n/an/a 301n/an/an/an/a7.537



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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183351
PNG
(US9150546, I-525 | US9688643, I-525 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(cc1C)\N=c1/[nH]c(=O)n(CCCC(O)=O)c(=O)n1Cc1ccc(C)cc1
Show InChI InChI=1S/C25H30N4O5/c1-16(2)34-21-12-11-20(14-18(21)4)26-23-27-24(32)28(13-5-6-22(30)31)25(33)29(23)15-19-9-7-17(3)8-10-19/h7-12,14,16H,5-6,13,15H2,1-4H3,(H,30,31)(H,26,27,32)
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n/an/a 54n/an/an/an/a7.537



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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183365
PNG
(US9150546, I-539 | US9688643, I-539 | US9718790, I...)
Show SMILES CCOc1ccc(cc1Cl)\N=c1/[nH]c(=O)n(C[C@H](C)C(O)=O)c(=O)n1Cc1ccc(Cl)cc1 |r|
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n/an/a 7n/an/an/an/a7.537



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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183370
PNG
(US9150546, I-544 | US9688643, I-544 | US9718790, I...)
Show SMILES CSc1ccc(cc1)\N=c1/[nH]c(=O)n(CC(C)(C)C(O)=O)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C22H23ClN4O4S/c1-22(2,18(28)29)13-27-20(30)25-19(24-16-8-10-17(32-3)11-9-16)26(21(27)31)12-14-4-6-15(23)7-5-14/h4-11H,12-13H2,1-3H3,(H,28,29)(H,24,25,30)
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n/an/a 601n/an/an/an/a7.537



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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183373
PNG
(US9150546, I-547 | US9688643, I-547 | US9718790, I...)
Show SMILES COC(=O)C(C)(C)Cn1c(=O)[nH]\c(=N/c2ccc(OC(C)C)c(Cl)c2)n(CC2CCCCC2)c1=O
Show InChI InChI=1S/C25H35ClN4O5/c1-16(2)35-20-12-11-18(13-19(20)26)27-22-28-23(32)30(15-25(3,4)21(31)34-5)24(33)29(22)14-17-9-7-6-8-10-17/h11-13,16-17H,6-10,14-15H2,1-5H3,(H,27,28,32)
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n/an/a 11n/an/an/an/a7.537



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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183385
PNG
(US9150546, I-559 | US9688643, I-559 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(cc1C)\N=c1/[nH]c(=O)n(C[C@H](C)C(O)=O)c(=O)n1CC1CCCCC1 |r|
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n/an/a 97n/an/an/an/a7.537



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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183080
PNG
(US9150546, I-128 | US9688643, I-128 | US9718790, I...)
Show SMILES CC(C)n1c(=O)nc(Nc2ccc(Oc3ccccc3)cc2)n(Cc2ccc(F)cc2)c1=O
Show InChI InChI=1S/C25H23FN4O3/c1-17(2)30-24(31)28-23(29(25(30)32)16-18-8-10-19(26)11-9-18)27-20-12-14-22(15-13-20)33-21-6-4-3-5-7-21/h3-15,17H,16H2,1-2H3,(H,27,28,31)
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n/an/a 840n/an/an/an/a7.537



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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183095
PNG
(US9150546, I-223 | US9688643, I-223 | US9718790, I...)
Show SMILES CC(C)n1c(=O)nc(NC(C)c2ccc(Cl)cc2)n(Cc2ccc(F)cc2)c1=O
Show InChI InChI=1S/C21H22ClFN4O2/c1-13(2)27-20(28)25-19(24-14(3)16-6-8-17(22)9-7-16)26(21(27)29)12-15-4-10-18(23)11-5-15/h4-11,13-14H,12H2,1-3H3,(H,24,25,28)
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n/an/a 909n/an/an/an/a7.537



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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183107
PNG
(US9150546, I-244 | US9688643, I-244 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C22H24ClFN4O3/c1-13(2)28-21(29)26-20(25-17-9-10-19(18(24)11-17)31-14(3)4)27(22(28)30)12-15-5-7-16(23)8-6-15/h5-11,13-14H,12H2,1-4H3,(H,25,26,29)
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n/an/a 45n/an/an/an/a7.537



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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183118
PNG
(US9150546, I-270 | US9688643, I-270 | US9718790, I...)
Show SMILES COc1cc(Cl)ccc1Cn1c(Nc2ccc(OC(C)C)c(F)c2)nc(=O)n(C(C)C)c1=O
Show InChI InChI=1S/C23H26ClFN4O4/c1-13(2)29-22(30)27-21(26-17-8-9-19(18(25)11-17)33-14(3)4)28(23(29)31)12-15-6-7-16(24)10-20(15)32-5/h6-11,13-14H,12H2,1-5H3,(H,26,27,30)
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n/an/a 271n/an/an/an/a7.537



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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183136
PNG
(US9150546, I-289 | US9688643, I-289 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CCC(O)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C22H22ClFN4O5/c1-13(2)33-18-8-7-16(11-17(18)24)25-20-26-21(31)27(10-9-19(29)30)22(32)28(20)12-14-3-5-15(23)6-4-14/h3-8,11,13H,9-10,12H2,1-2H3,(H,29,30)(H,25,26,31)
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n/an/a 66n/an/an/an/a7.537



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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183142
PNG
(US9150546, I-295 | US9688643, I-295 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CC(N)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C21H21ClFN5O4/c1-12(2)32-17-8-7-15(9-16(17)23)25-19-26-20(30)28(11-18(24)29)21(31)27(19)10-13-3-5-14(22)6-4-13/h3-9,12H,10-11H2,1-2H3,(H2,24,29)(H,25,26,30)
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n/an/a 46n/an/an/an/a7.537



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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183143
PNG
(US9150546, I-296 | US9688643, I-296 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(C(C)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C21H20ClFN4O4/c1-12(2)31-18-9-8-16(10-17(18)23)24-19-25-20(29)27(13(3)28)21(30)26(19)11-14-4-6-15(22)7-5-14/h4-10,12H,11H2,1-3H3,(H,24,25,29)
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n/an/a 176n/an/an/an/a7.537



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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183155
PNG
(US9150546, I-313 | US9688643, I-313 | US9718790, I...)
Show SMILES OCCn1c(=O)nc(Nc2cccc(c2)C(F)(F)F)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C19H16ClF3N4O3/c20-14-6-4-12(5-7-14)11-27-16(25-17(29)26(8-9-28)18(27)30)24-15-3-1-2-13(10-15)19(21,22)23/h1-7,10,28H,8-9,11H2,(H,24,25,29)
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n/an/a 178n/an/an/an/a7.537



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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183156
PNG
(US9150546, I-314 | US9688643, I-314 | US9718790, I...)
Show SMILES OCCn1c(=O)nc(Nc2cccc(c2)-c2ccon2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C21H18ClN5O4/c22-16-6-4-14(5-7-16)13-27-19(24-20(29)26(9-10-28)21(27)30)23-17-3-1-2-15(12-17)18-8-11-31-25-18/h1-8,11-12,28H,9-10,13H2,(H,23,24,29)
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n/an/a 555n/an/an/an/a7.537



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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183162
PNG
(US9150546, I-322 | US9688643, I-322 | US9718790, I...)
Show SMILES OCCn1c(=O)nc(Nc2ccc(OC3CCCC3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C23H25ClN4O4/c24-17-7-5-16(6-8-17)15-28-21(26-22(30)27(13-14-29)23(28)31)25-18-9-11-20(12-10-18)32-19-3-1-2-4-19/h5-12,19,29H,1-4,13-15H2,(H,25,26,30)
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n/an/a 112n/an/an/an/a7.537



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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%