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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))
BDBM183077
PNG
(US9150546, I-121 | US9688643, I-121 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2Cc2ccc(C)cc2)cc1
Show InChI InChI=1S/C23H28N4O3/c1-15(2)27-22(28)25-21(24-19-10-12-20(13-11-19)30-16(3)4)26(23(27)29)14-18-8-6-17(5)7-9-18/h6-13,15-16H,14H2,1-5H3,(H,24,25,28)
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US Patent
n/an/a 246n/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))
BDBM183090
PNG
(US9150546, I-203 | US9688643, I-203 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2Cc2ccc(F)cc2)cc1Cl
Show InChI InChI=1S/C22H24ClFN4O3/c1-13(2)28-21(29)26-20(25-17-9-10-19(18(23)11-17)31-14(3)4)27(22(28)30)12-15-5-7-16(24)8-6-15/h5-11,13-14H,12H2,1-4H3,(H,25,26,29)
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US Patent
n/an/a 110n/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))
BDBM183100
PNG
(US9150546, I-237 | US9688643, I-237 | US9718790, I...)
Show SMILES COCCOc1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl
Show InChI InChI=1S/C22H24Cl2N4O4/c1-14(2)28-21(29)26-20(27(22(28)30)13-15-4-6-16(23)7-5-15)25-17-8-9-19(18(24)12-17)32-11-10-31-3/h4-9,12,14H,10-11,13H2,1-3H3,(H,25,26,29)
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n/an/a 230n/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))
BDBM183109
PNG
(US9150546, I-246 | US9688643, I-246 | US9718790, I...)
Show SMILES CC(C)n1c(=O)nc(Nc2ccc3[nH]c(=O)oc3c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C20H18ClN5O4/c1-11(2)26-18(27)24-17(22-14-7-8-15-16(9-14)30-19(28)23-15)25(20(26)29)10-12-3-5-13(21)6-4-12/h3-9,11H,10H2,1-2H3,(H,23,28)(H,22,24,27)
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US Patent
n/an/a 996n/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))
BDBM183110
PNG
(US9150546, I-248 | US9688643, I-248 | US9718790, I...)
Show SMILES COC(=O)c1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2Cc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C21H21ClN4O4/c1-13(2)26-20(28)24-19(23-17-10-6-15(7-11-17)18(27)30-3)25(21(26)29)12-14-4-8-16(22)9-5-14/h4-11,13H,12H2,1-3H3,(H,23,24,28)
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n/an/a 420n/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))
BDBM183113
PNG
(US9150546, I-256 | US9688643, I-256 | US9718790, I...)
Show SMILES CC(C)CNC(=O)c1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2Cc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C24H28ClN5O3/c1-15(2)13-26-21(31)18-7-11-20(12-8-18)27-22-28-23(32)30(16(3)4)24(33)29(22)14-17-5-9-19(25)10-6-17/h5-12,15-16H,13-14H2,1-4H3,(H,26,31)(H,27,28,32)
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n/an/a 867n/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))
BDBM183129
PNG
(US9150546, I-282 | US9688643, I-282 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CCN3CCCCC3)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C26H31ClFN5O3/c1-18(2)36-23-11-10-21(16-22(23)28)29-24-30-25(34)32(15-14-31-12-4-3-5-13-31)26(35)33(24)17-19-6-8-20(27)9-7-19/h6-11,16,18H,3-5,12-15,17H2,1-2H3,(H,29,30,34)
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US Patent
n/an/a 27n/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))
BDBM183151
PNG
(US9150546, I-309 | US9688643, I-309 | US9718790, I...)
Show SMILES OCCn1c(=O)nc(Nc2cccc(OC(F)(F)F)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C19H16ClF3N4O4/c20-13-6-4-12(5-7-13)11-27-16(25-17(29)26(8-9-28)18(27)30)24-14-2-1-3-15(10-14)31-19(21,22)23/h1-7,10,28H,8-9,11H2,(H,24,25,29)
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n/an/a 357n/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))
BDBM183158
PNG
(US9150546, I-316 | US9688643, I-316 | US9718790, I...)
Show SMILES OCCn1c(=O)nc(Nc2ccc(F)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C18H15ClF2N4O3/c19-12-3-1-11(2-4-12)10-25-16(22-13-5-6-14(20)15(21)9-13)23-17(27)24(7-8-26)18(25)28/h1-6,9,26H,7-8,10H2,(H,22,23,27)
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n/an/a 712n/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))
BDBM183161
PNG
(US9150546, I-321 | US9688643, I-321 | US9718790, I...)
Show SMILES CCCOc1ccc(Nc2nc(=O)n(CCO)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C21H22ClFN4O4/c1-2-11-31-18-8-7-16(12-17(18)23)24-19-25-20(29)26(9-10-28)21(30)27(19)13-14-3-5-15(22)6-4-14/h3-8,12,28H,2,9-11,13H2,1H3,(H,24,25,29)
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n/an/a 33n/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))
BDBM183174
PNG
(US9150546, I-335 | US9688643, I-335 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CC3(CO)CC3)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C24H26ClFN4O4/c1-15(2)34-20-8-7-18(11-19(20)26)27-21-28-22(32)30(13-24(14-31)9-10-24)23(33)29(21)12-16-3-5-17(25)6-4-16/h3-8,11,15,31H,9-10,12-14H2,1-2H3,(H,27,28,32)
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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))
BDBM183189
PNG
(US9150546, I-353 | US9688643, I-353 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CC(=O)NCCO)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C23H25ClFN5O5/c1-14(2)35-19-8-7-17(11-18(19)25)27-21-28-22(33)30(13-20(32)26-9-10-31)23(34)29(21)12-15-3-5-16(24)6-4-15/h3-8,11,14,31H,9-10,12-13H2,1-2H3,(H,26,32)(H,27,28,33)
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n/an/a 18n/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))
BDBM183199
PNG
(US9150546, I-363 | US9688643, I-363 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CCCC(O)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C23H24ClFN4O5/c1-14(2)34-19-10-9-17(12-18(19)25)26-21-27-22(32)28(11-3-4-20(30)31)23(33)29(21)13-15-5-7-16(24)8-6-15/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,30,31)(H,26,27,32)
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n/an/a 78n/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))
BDBM183217
PNG
(US9150546, I-383 | US9688643, I-383 | US9718790, I...)
Show SMILES OCCn1c(=O)nc(Nc2ccc(OC(F)(F)F)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C19H16ClF3N4O4/c20-13-3-1-12(2-4-13)11-27-16(25-17(29)26(9-10-28)18(27)30)24-14-5-7-15(8-6-14)31-19(21,22)23/h1-8,28H,9-11H2,(H,24,25,29)
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US Patent
n/an/a 532n/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))
BDBM183219
PNG
(US9150546, I-386 | US9688643, I-386 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CCNC(N)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C22H24ClFN6O4/c1-13(2)34-18-8-7-16(11-17(18)24)27-20-28-21(32)29(10-9-26-19(25)31)22(33)30(20)12-14-3-5-15(23)6-4-14/h3-8,11,13H,9-10,12H2,1-2H3,(H3,25,26,31)(H,27,28,32)
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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))
BDBM183228
PNG
(US9150546, I-398 | US9688643, I-398 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(cc1F)\N=c1/[nH]c(=O)n(CC(=O)NC(CO)CO)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C24H27ClFN5O6/c1-14(2)37-20-8-7-17(9-19(20)26)28-22-29-23(35)31(11-21(34)27-18(12-32)13-33)24(36)30(22)10-15-3-5-16(25)6-4-15/h3-9,14,18,32-33H,10-13H2,1-2H3,(H,27,34)(H,28,29,35)
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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))
BDBM183230
PNG
(US9150546, I-400 | US9688643, I-400 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(cc1F)\N=c1/[nH]c(=O)n(CC(=O)NCC(O)=O)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C23H23ClFN5O6/c1-13(2)36-18-8-7-16(9-17(18)25)27-21-28-22(34)30(12-19(31)26-10-20(32)33)23(35)29(21)11-14-3-5-15(24)6-4-14/h3-9,13H,10-12H2,1-2H3,(H,26,31)(H,32,33)(H,27,28,34)
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n/an/a 44n/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))
BDBM183242
PNG
(US9150546, I-413 | US9688643, I-413 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(cc1F)\N=c1/[nH]c(=O)n(CC(C)(C)C(O)=O)c(=O)n1Cc1ccc(C)c(F)c1
Show InChI InChI=1S/C25H28F2N4O5/c1-14(2)36-20-9-8-17(11-19(20)27)28-22-29-23(34)31(13-25(4,5)21(32)33)24(35)30(22)12-16-7-6-15(3)18(26)10-16/h6-11,14H,12-13H2,1-5H3,(H,32,33)(H,28,29,34)
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n/an/a 99n/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))
BDBM183245
PNG
(US9150546, I-416 | US9688643, I-416 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(cc1F)\N=c1/[nH]c(=O)n(CC(=O)NCC(O)=O)c(=O)n1Cc1ccc(C)cc1
Show InChI InChI=1S/C24H26FN5O6/c1-14(2)36-19-9-8-17(10-18(19)25)27-22-28-23(34)30(13-20(31)26-11-21(32)33)24(35)29(22)12-16-6-4-15(3)5-7-16/h4-10,14H,11-13H2,1-3H3,(H,26,31)(H,32,33)(H,27,28,34)
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n/an/a 35n/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))
BDBM183248
PNG
(US9150546, I-419 | US9688643, I-419 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(cc1F)\N=c1/[nH]c(=O)n(CC(=O)NC2(CC2)C(O)=O)c(=O)n1Cc1ccc(C)cc1
Show InChI InChI=1S/C26H28FN5O6/c1-15(2)38-20-9-8-18(12-19(20)27)28-23-29-24(36)32(14-21(33)30-26(10-11-26)22(34)35)25(37)31(23)13-17-6-4-16(3)5-7-17/h4-9,12,15H,10-11,13-14H2,1-3H3,(H,30,33)(H,34,35)(H,28,29,36)
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n/an/a 71n/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))
BDBM183256
PNG
(BDBM265278 | US9150546, I-427 | US9688643, I-427)
Show SMILES COC(=O)C(C)(C)Cn1c(=O)[nH]\c(=N/c2ccc3n(C)ccc3c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C25H26ClN5O4/c1-25(2,21(32)35-4)15-31-23(33)28-22(27-19-9-10-20-17(13-19)11-12-29(20)3)30(24(31)34)14-16-5-7-18(26)8-6-16/h5-13H,14-15H2,1-4H3,(H,27,28,33)
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n/an/a 678n/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))
BDBM183257
PNG
(US9150546, I-429 | US9688643, I-429 | US9718790, I...)
Show SMILES CC(C)(Cn1c(=O)[nH]\c(=N/c2ccc(O)c(Cl)c2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O
Show InChI InChI=1S/C21H20Cl2N4O5/c1-21(2,17(29)30)11-27-19(31)25-18(24-14-7-8-16(28)15(23)9-14)26(20(27)32)10-12-3-5-13(22)6-4-12/h3-9,28H,10-11H2,1-2H3,(H,29,30)(H,24,25,31)
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n/an/a 779n/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))
BDBM183274
PNG
(US9150546, I-442 | US9688643, I-442 | US9718790, I...)
Show SMILES COC(=O)C(C)(C)Cn1c(=O)[nH]\c(=N/c2ccc(OC)c(C)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C24H27ClN4O5/c1-15-12-18(10-11-19(15)33-4)26-21-27-22(31)29(14-24(2,3)20(30)34-5)23(32)28(21)13-16-6-8-17(25)9-7-16/h6-12H,13-14H2,1-5H3,(H,26,27,31)
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n/an/a 117n/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))
BDBM183298
PNG
(US9150546, I-467 | US9688643, I-467 | US9718790, I...)
Show SMILES COC(=O)C(C)(C)Cn1c(=O)[nH]\c(=N/c2cccc(OC(F)(F)F)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C23H22ClF3N4O5/c1-22(2,18(32)35-3)13-31-20(33)29-19(28-16-5-4-6-17(11-16)36-23(25,26)27)30(21(31)34)12-14-7-9-15(24)10-8-14/h4-11H,12-13H2,1-3H3,(H,28,29,33)
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n/an/a 37n/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))
BDBM183314
PNG
(US9150546, I-484 | US9688643, I-484 | US9718790, I...)
Show SMILES CCOc1ccc(cc1)\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 290n/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))
BDBM183326
PNG
(US9150546, I-496 | US9688643, I-496 | US9718790, I...)
Show SMILES Cc1nc2ccc(cc2o1)\N=c1/[nH]c(=O)n(CC(C)(C)C(O)=O)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C23H22ClN5O5/c1-13-25-17-9-8-16(10-18(17)34-13)26-20-27-21(32)29(12-23(2,3)19(30)31)22(33)28(20)11-14-4-6-15(24)7-5-14/h4-10H,11-12H2,1-3H3,(H,30,31)(H,26,27,32)
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n/an/a 125n/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))
BDBM183328
PNG
(US9150546, I-498 | US9688643, I-498 | US9718790, I...)
Show SMILES CCOC(=O)CCCn1c(=O)[nH]\c(=N/c2ccc(OC(C)C)c(Cl)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C25H28Cl2N4O5/c1-4-35-22(32)6-5-13-30-24(33)29-23(28-19-11-12-21(20(27)14-19)36-16(2)3)31(25(30)34)15-17-7-9-18(26)10-8-17/h7-12,14,16H,4-6,13,15H2,1-3H3,(H,28,29,33)
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n/an/a 9n/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))
BDBM183348
PNG
(US9150546, I-522 | US9688643, I-522 | US9718790, I...)
Show SMILES COC(=O)C[C@H](C)n1c(=O)[nH]\c(=N/c2ccc(OC(C)C)c(Cl)c2)n(Cc2ccc(Cl)cc2)c1=O |r|
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n/an/a 29n/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))
BDBM183352
PNG
(US9150546, I-526 | US9688643, I-526 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(cc1Cl)\N=c1/[nH]c(=O)n([C@@H](C)CC(O)=O)c(=O)n1Cc1ccc(Cl)cc1 |r|
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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))
BDBM183356
PNG
(US9150546, I-530 | US9688643, I-530 | US9718790, I...)
Show SMILES CCOc1ccc(Nc2nc(=O)n(C[C@H](C)C(=O)OC)c(=O)n2Cc2ccc(Cl)cc2)cc1 |r|
Show InChI InChI=1S/C23H25ClN4O5/c1-4-33-19-11-9-18(10-12-19)25-21-26-22(30)28(13-15(2)20(29)32-3)23(31)27(21)14-16-5-7-17(24)8-6-16/h5-12,15H,4,13-14H2,1-3H3,(H,25,26,30)/t15-/m0/s1
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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))
BDBM183362
PNG
(US9150546, I-536 | US9688643, I-536 | US9718790, I...)
Show SMILES CCOc1ccc(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 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))
BDBM183363
PNG
(US9150546, I-537 | US9688643, I-537 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(cc1)\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 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))
BDBM183368
PNG
(US9150546, I-542 | US9688643, I-542 | US9718790, I...)
Show SMILES CCOc1ccc(cc1)\N=c1/[nH]c(=O)n(CC(C)(C)C(O)=O)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C23H25ClN4O5/c1-4-33-18-11-9-17(10-12-18)25-20-26-21(31)28(14-23(2,3)19(29)30)22(32)27(20)13-15-5-7-16(24)8-6-15/h5-12H,4,13-14H2,1-3H3,(H,29,30)(H,25,26,31)
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n/an/a 96n/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))
BDBM183392
PNG
(US9150546, II-013 | US9688643, II-013 | US9718790,...)
Show SMILES CCN(CC)c1nc(=O)n(Cc2ccc(Cl)cc2)\c(=N\c2ccc(OC(C)C)c(Cl)c2)[nH]1
Show InChI InChI=1S/C23H27Cl2N5O2/c1-5-29(6-2)21-27-22(26-18-11-12-20(19(25)13-18)32-15(3)4)30(23(31)28-21)14-16-7-9-17(24)10-8-16/h7-13,15H,5-6,14H2,1-4H3,(H,26,27,28,31)
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n/an/a 430n/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))
BDBM183071
PNG
(US9150546, I-021 | US9688643, I-021 | US9718790, I...)
Show SMILES CC(C)n1c(=O)nc(Nc2cccc(c2)C(F)(F)F)n(Cc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C21H21F3N4O2/c1-13(2)28-19(29)26-18(25-17-6-4-5-16(11-17)21(22,23)24)27(20(28)30)12-15-9-7-14(3)8-10-15/h4-11,13H,12H2,1-3H3,(H,25,26,29)
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n/an/a 197n/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))
BDBM183079
PNG
(US9150546, I-126 | US9688643, I-126 | US9718790, I...)
Show SMILES CC(C)n1c(=O)nc(Nc2cccc(c2)C(F)(F)F)n(Cc2ccc(F)cc2)c1=O
Show InChI InChI=1S/C20H18F4N4O2/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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n/an/a 689n/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))
BDBM183091
PNG
(US9150546, I-204 | US9688643, I-204 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2Cc2ccc(F)cc2)cc1C(F)(F)F
Show InChI InChI=1S/C23H24F4N4O3/c1-13(2)31-21(32)29-20(30(22(31)33)12-15-5-7-16(24)8-6-15)28-17-9-10-19(34-14(3)4)18(11-17)23(25,26)27/h5-11,13-14H,12H2,1-4H3,(H,28,29,32)
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n/an/a 558n/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))
BDBM183098
PNG
(US9150546, I-234 | US9688643, I-234 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2Cc2ccc(Cl)cn2)cc1Cl
Show InChI InChI=1S/C21H23Cl2N5O3/c1-12(2)28-20(29)26-19(25-15-7-8-18(17(23)9-15)31-13(3)4)27(21(28)30)11-16-6-5-14(22)10-24-16/h5-10,12-13H,11H2,1-4H3,(H,25,26,29)
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n/an/a 298n/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))
BDBM183112
PNG
(US9150546, I-255 | US9688643, I-255 | US9718790, I...)
Show SMILES CC(C)NC(=O)c1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2Cc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C23H26ClN5O3/c1-14(2)25-20(30)17-7-11-19(12-8-17)26-21-27-22(31)29(15(3)4)23(32)28(21)13-16-5-9-18(24)10-6-16/h5-12,14-15H,13H2,1-4H3,(H,25,30)(H,26,27,31)
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n/an/a 520n/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))
BDBM183114
PNG
(US9150546, I-257 | US9688643, I-257 | US9718790, I...)
Show SMILES CC(C)n1c(=O)nc(Nc2ccc(cc2)C(=O)NC2CC2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C23H24ClN5O3/c1-14(2)29-22(31)27-21(28(23(29)32)13-15-3-7-17(24)8-4-15)26-19-9-5-16(6-10-19)20(30)25-18-11-12-18/h3-10,14,18H,11-13H2,1-2H3,(H,25,30)(H,26,27,31)
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n/an/a 682n/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))
BDBM183119
PNG
(US9150546, I-271 | US9688643, I-271 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CC3CC3)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C23H24ClFN4O3/c1-14(2)32-20-10-9-18(11-19(20)25)26-21-27-22(30)29(13-15-3-4-15)23(31)28(21)12-16-5-7-17(24)8-6-16/h5-11,14-15H,3-4,12-13H2,1-2H3,(H,26,27,30)
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n/an/a 32n/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))
BDBM183149
PNG
(US9150546, I-305 | US9688643, I-305 | US9718790, I...)
Show SMILES COc1ccc(Nc2nc(=O)n(CCO)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C19H18ClFN4O4/c1-29-16-7-6-14(10-15(16)21)22-17-23-18(27)24(8-9-26)19(28)25(17)11-12-2-4-13(20)5-3-12/h2-7,10,26H,8-9,11H2,1H3,(H,22,23,27)
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n/an/a 946n/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))
BDBM183188
PNG
(US9150546, I-352 | US9688643, I-352 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CCC(=O)NCCO)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C24H27ClFN5O5/c1-15(2)36-20-8-7-18(13-19(20)26)28-22-29-23(34)30(11-9-21(33)27-10-12-32)24(35)31(22)14-16-3-5-17(25)6-4-16/h3-8,13,15,32H,9-12,14H2,1-2H3,(H,27,33)(H,28,29,34)
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n/an/a 36n/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))
BDBM183190
PNG
(US9150546, I-354 | US9688643, I-354 | US9718790, I...)
Show SMILES CCOC(=O)CCn1c(=O)nc(Nc2ccc(OC(C)C)c(Cl)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C24H26Cl2N4O5/c1-4-34-21(31)11-12-29-23(32)28-22(27-18-9-10-20(19(26)13-18)35-15(2)3)30(24(29)33)14-16-5-7-17(25)8-6-16/h5-10,13,15H,4,11-12,14H2,1-3H3,(H,27,28,32)
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n/an/a 8n/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%