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Found 1437 hits Enz. Inhib. hit(s) with Target = 'P2X3 purinoceptor'   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
P2X3 purinoceptor


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



Institute of Science and Technology

Curated by ChEMBL


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


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


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



Institute of Science and Technology

Curated by ChEMBL


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


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


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



SHIONOGI & CO., LTD.

US Patent


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


US Patent US9212130 (2015)

More data for this
Ligand-Target Pair
P2X3 purinoceptor


(Homo sapiens (human))
BDBM196345
PNG
(US9212130, I-265)
Show SMILES Cc1ccc(Oc2ccc(Nc3ncc(NC(=O)C4CCOCC4)c(=O)n3Cc3ccc(Cl)cc3)cc2)cn1
Show InChI InChI=1S/C29H28ClN5O4/c1-19-2-9-25(16-31-19)39-24-10-7-23(8-11-24)33-29-32-17-26(34-27(36)21-12-14-38-15-13-21)28(37)35(29)18-20-3-5-22(30)6-4-20/h2-11,16-17,21H,12-15,18H2,1H3,(H,32,33)(H,34,36)
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SHIONOGI & CO., LTD.

US Patent


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


US Patent US9212130 (2015)

More data for this
Ligand-Target Pair
P2X3 purinoceptor


(Homo sapiens (human))
BDBM196431
PNG
(US9212130, I-359)
Show SMILES OC(=O)c1cccc(Oc2ccc(Nc3ncc(NC(=O)C4CCOCC4)c(=O)n3Cc3ccc(Cl)cc3)cc2)c1
Show InChI InChI=1S/C30H27ClN4O6/c31-22-6-4-19(5-7-22)18-35-28(37)26(34-27(36)20-12-14-40-15-13-20)17-32-30(35)33-23-8-10-24(11-9-23)41-25-3-1-2-21(16-25)29(38)39/h1-11,16-17,20H,12-15,18H2,(H,32,33)(H,34,36)(H,38,39)
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SHIONOGI & CO., LTD.

US Patent


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


US Patent US9212130 (2015)

More data for this
Ligand-Target Pair
P2X3 purinoceptor


(Homo sapiens (human))
BDBM196324
PNG
(US9212130, I-244)
Show SMILES Clc1ccc(Cn2c(Nc3ccc(Oc4cc[nH]c(=O)c4)cc3)ncc(NC(=O)C3CCOCC3)c2=O)cc1
Show InChI InChI=1S/C28H26ClN5O5/c29-20-3-1-18(2-4-20)17-34-27(37)24(33-26(36)19-10-13-38-14-11-19)16-31-28(34)32-21-5-7-22(8-6-21)39-23-9-12-30-25(35)15-23/h1-9,12,15-16,19H,10-11,13-14,17H2,(H,30,35)(H,31,32)(H,33,36)
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SHIONOGI & CO., LTD.

US Patent


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


US Patent US9212130 (2015)

More data for this
Ligand-Target Pair
P2X3 purinoceptor


(Homo sapiens (human))
BDBM196373
PNG
(US9212130, I-295)
Show SMILES Cc1ccc(Oc2ccc(Nc3ncc(NC(=O)C(C)(C)O)c(=O)n3Cc3ccc(Cl)cc3)cc2)cn1
Show InChI InChI=1S/C27H26ClN5O4/c1-17-4-11-22(14-29-17)37-21-12-9-20(10-13-21)31-26-30-15-23(32-25(35)27(2,3)36)24(34)33(26)16-18-5-7-19(28)8-6-18/h4-15,36H,16H2,1-3H3,(H,30,31)(H,32,35)
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SHIONOGI & CO., LTD.

US Patent


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


US Patent US9212130 (2015)

More data for this
Ligand-Target Pair
P2X3 purinoceptor


(Homo sapiens (human))
BDBM196382
PNG
(US9212130, I-304)
Show SMILES COC(=O)c1cncc(Oc2ccc(Nc3ncc(NC(=O)C4CCOCC4)c(=O)n3Cc3ccc(Cl)cc3)cc2)c1
Show InChI InChI=1S/C30H28ClN5O6/c1-40-29(39)21-14-25(16-32-15-21)42-24-8-6-23(7-9-24)34-30-33-17-26(35-27(37)20-10-12-41-13-11-20)28(38)36(30)18-19-2-4-22(31)5-3-19/h2-9,14-17,20H,10-13,18H2,1H3,(H,33,34)(H,35,37)
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SHIONOGI & CO., LTD.

US Patent


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


US Patent US9212130 (2015)

More data for this
Ligand-Target Pair
P2X3 purinoceptor


(Homo sapiens (human))
BDBM106180
PNG
(US8575197, II-093)
Show SMILES CC(C)c1[nH]nc2C(=O)N(C(c12)c1ccccc1C(=O)N(C)C)c1ccc(cc1)-c1ccsc1
Show InChI InChI=1S/C27H26N4O2S/c1-16(2)23-22-24(29-28-23)27(33)31(19-11-9-17(10-12-19)18-13-14-34-15-18)25(22)20-7-5-6-8-21(20)26(32)30(3)4/h5-16,25H,1-4H3,(H,28,29)
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Shionogi & Co., Ltd.

US Patent


Assay Description
Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).


US Patent US8575197 (2013)

More data for this
Ligand-Target Pair
P2X3 purinoceptor


(Homo sapiens (human))
BDBM106177
PNG
(US8575197, II-090)
Show SMILES CC(C)c1[nH]nc2C(=O)N(C(c12)c1ccccc1C(N)=O)c1ccc(cc1)-c1ccsc1
Show InChI InChI=1S/C25H22N4O2S/c1-14(2)21-20-22(28-27-21)25(31)29(23(20)18-5-3-4-6-19(18)24(26)30)17-9-7-15(8-10-17)16-11-12-32-13-16/h3-14,23H,1-2H3,(H2,26,30)(H,27,28)
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Shionogi & Co., Ltd.

US Patent


Assay Description
Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).


US Patent US8575197 (2013)

More data for this
Ligand-Target Pair
P2X3 purinoceptor


(Homo sapiens (human))
BDBM106178
PNG
(US8575197, II-091)
Show SMILES CC(C)c1[nH]nc2C(=O)N(C(c12)c1ccccc1C(=O)NCCO)c1ccc(cc1)-c1ccsc1
Show InChI InChI=1S/C27H26N4O3S/c1-16(2)23-22-24(30-29-23)27(34)31(19-9-7-17(8-10-19)18-11-14-35-15-18)25(22)20-5-3-4-6-21(20)26(33)28-12-13-32/h3-11,14-16,25,32H,12-13H2,1-2H3,(H,28,33)(H,29,30)
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Shionogi & Co., Ltd.

US Patent


Assay Description
Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).


US Patent US8575197 (2013)

More data for this
Ligand-Target Pair
P2X3 purinoceptor


(Homo sapiens (human))
BDBM106179
PNG
(US8575197, II-092)
Show SMILES CNC(=O)c1ccccc1C1N(C(=O)c2n[nH]c(C(C)C)c12)c1ccc(cc1)-c1ccsc1
Show InChI InChI=1S/C26H24N4O2S/c1-15(2)22-21-23(29-28-22)26(32)30(18-10-8-16(9-11-18)17-12-13-33-14-17)24(21)19-6-4-5-7-20(19)25(31)27-3/h4-15,24H,1-3H3,(H,27,31)(H,28,29)
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Shionogi & Co., Ltd.

US Patent


Assay Description
Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).


US Patent US8575197 (2013)

More data for this
Ligand-Target Pair
P2X3 purinoceptor


(Homo sapiens (human))
BDBM106341
PNG
(US8575197, II-254)
Show SMILES COc1ccccc1C1N(C(=O)c2n[nH]c(c12)C(C)(C)C)c1ccc(nc1)-c1ccsc1
Show InChI InChI=1S/C25H24N4O2S/c1-25(2,3)23-20-21(27-28-23)24(30)29(22(20)17-7-5-6-8-19(17)31-4)16-9-10-18(26-13-16)15-11-12-32-14-15/h5-14,22H,1-4H3,(H,27,28)
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Shionogi & Co., Ltd.

US Patent


Assay Description
Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).


US Patent US8575197 (2013)

More data for this
Ligand-Target Pair
P2X3 purinoceptor


(Homo sapiens (human))
BDBM196391
PNG
(US9212130, I-313)
Show SMILES Cc1ncc(Oc2ccc(Nc3ncc(NC(=O)C4CCOCC4)c(=O)n3Cc3ccc(Cl)cc3)cc2)cc1F
Show InChI InChI=1S/C29H27ClFN5O4/c1-18-25(31)14-24(15-32-18)40-23-8-6-22(7-9-23)34-29-33-16-26(35-27(37)20-10-12-39-13-11-20)28(38)36(29)17-19-2-4-21(30)5-3-19/h2-9,14-16,20H,10-13,17H2,1H3,(H,33,34)(H,35,37)
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SHIONOGI & CO., LTD.

US Patent


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


US Patent US9212130 (2015)

More data for this
Ligand-Target Pair
P2X3 purinoceptor


(Homo sapiens (human))
BDBM196395
PNG
(US9212130, I-317)
Show SMILES CCn1c(=O)cc(Nc2ccc(Oc3ccnc(c3)C(O)=O)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C25H21ClN4O5/c1-2-29-23(31)14-22(30(25(29)34)15-16-3-5-17(26)6-4-16)28-18-7-9-19(10-8-18)35-20-11-12-27-21(13-20)24(32)33/h3-14,28H,2,15H2,1H3,(H,32,33)
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SHIONOGI & CO., LTD.

US Patent


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


US Patent US9212130 (2015)

More data for this
Ligand-Target Pair
P2X3 purinoceptor


(Homo sapiens (human))
BDBM196429
PNG
(US9212130, I-357)
Show SMILES COC(=O)c1cccc(Oc2ccc(Nc3ncc(NC(=O)C4CCOCC4)c(=O)n3Cc3ccc(Cl)cc3)cc2)c1
Show InChI InChI=1S/C31H29ClN4O6/c1-40-30(39)22-3-2-4-26(17-22)42-25-11-9-24(10-12-25)34-31-33-18-27(35-28(37)21-13-15-41-16-14-21)29(38)36(31)19-20-5-7-23(32)8-6-20/h2-12,17-18,21H,13-16,19H2,1H3,(H,33,34)(H,35,37)
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SHIONOGI & CO., LTD.

US Patent


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


US Patent US9212130 (2015)

More data for this
Ligand-Target Pair
P2X3 purinoceptor


(Homo sapiens (human))
BDBM196432
PNG
(US9212130, I-360)
Show SMILES Cc1nc2ccc(Nc3ncc(NC(=O)C(C)(C)O)c(=O)n3Cc3ccc(Cl)cc3)cc2s1
Show InChI InChI=1S/C23H22ClN5O3S/c1-13-26-17-9-8-16(10-19(17)33-13)27-22-25-11-18(28-21(31)23(2,3)32)20(30)29(22)12-14-4-6-15(24)7-5-14/h4-11,32H,12H2,1-3H3,(H,25,27)(H,28,31)
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SHIONOGI & CO., LTD.

US Patent


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


US Patent US9212130 (2015)

More data for this
Ligand-Target Pair
P2X3 purinoceptor


(Homo sapiens (human))
BDBM196342
PNG
(US9212130, I-262)
Show SMILES CCc1nc2ccc(Nc3ncc(NC(=O)C4CCOCC4)c(=O)n3Cc3ccc(Cl)cc3)cc2s1
Show InChI InChI=1S/C26H26ClN5O3S/c1-2-23-30-20-8-7-19(13-22(20)36-23)29-26-28-14-21(31-24(33)17-9-11-35-12-10-17)25(34)32(26)15-16-3-5-18(27)6-4-16/h3-8,13-14,17H,2,9-12,15H2,1H3,(H,28,29)(H,31,33)
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SHIONOGI & CO., LTD.

US Patent


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


US Patent US9212130 (2015)

More data for this
Ligand-Target Pair
P2X3 purinoceptor


(Homo sapiens (human))
BDBM106304
PNG
(US8575197, II-217)
Show SMILES COc1ccccc1C1N(C(=O)c2n[nH]c(c12)C(C)(C)CO)c1ccc(cc1)-c1ccsc1
Show InChI InChI=1S/C26H25N3O3S/c1-26(2,15-30)24-21-22(27-28-24)25(31)29(23(21)19-6-4-5-7-20(19)32-3)18-10-8-16(9-11-18)17-12-13-33-14-17/h4-14,23,30H,15H2,1-3H3,(H,27,28)
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Shionogi & Co., Ltd.

US Patent


Assay Description
Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).


US Patent US8575197 (2013)

More data for this
Ligand-Target Pair
P2X3 purinoceptor


(Homo sapiens (human))
BDBM183288
PNG
(US9150546, I-457)
Show SMILES COC(=O)[C@H](C)Cn1c(=O)[nH]\c(=N/c2ccc(OC(C)C)c(Cl)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1/C24H26Cl2N4O5/c1-14(2)35-20-10-9-18(11-19(20)26)27-22-28-23(32)30(12-15(3)21(31)34-4)24(33)29(22)13-16-5-7-17(25)8-6-16/h5-11,14-15H,12-13H2,1-4H3,(H,27,28,32)/t15-/s2
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n/an/a 3n/an/an/an/an/an/a



SHIONOGI & CO., LTD.

US Patent


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


US Patent US9150546 (2015)

More data for this
Ligand-Target Pair
P2X3 purinoceptor


(Homo sapiens (human))
BDBM106342
PNG
(US8575197, II-255)
Show SMILES COc1ccccc1C1N(C(=O)c2n[nH]c(c12)C(C)(C)C)c1ccc(nc1)-c1cccs1
Show InChI InChI=1S/C25H24N4O2S/c1-25(2,3)23-20-21(27-28-23)24(30)29(22(20)16-8-5-6-9-18(16)31-4)15-11-12-17(26-14-15)19-10-7-13-32-19/h5-14,22H,1-4H3,(H,27,28)
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n/an/a 3n/an/an/an/an/an/a



Shionogi & Co., Ltd.

US Patent


Assay Description
Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).


US Patent US8575197 (2013)

More data for this
Ligand-Target Pair
P2X3 purinoceptor


(Homo sapiens (human))
BDBM106261
PNG
(US8575197, II-174)
Show SMILES CC(C)(C)c1[nH]nc2C(=O)N(C(c12)c1ccccc1OCc1nnn[nH]1)c1ccc(cc1)-c1ccsc1
Show InChI InChI=1S/C27H25N7O2S/c1-27(2,3)25-22-23(30-31-25)26(35)34(18-10-8-16(9-11-18)17-12-13-37-15-17)24(22)19-6-4-5-7-20(19)36-14-21-28-32-33-29-21/h4-13,15,24H,14H2,1-3H3,(H,30,31)(H,28,29,32,33)
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n/an/a 3n/an/an/an/an/an/a



Shionogi & Co., Ltd.

US Patent


Assay Description
Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).


US Patent US8575197 (2013)

More data for this
Ligand-Target Pair
P2X3 purinoceptor


(Homo sapiens (human))
BDBM106262
PNG
(US8575197, II-175)
Show SMILES CC(C)c1[nH]nc2C(=O)N(C(c12)c1ccccc1OCc1nnn[nH]1)c1ccc(cc1)-c1ccsc1
Show InChI InChI=1S/C26H23N7O2S/c1-15(2)23-22-24(30-29-23)26(34)33(18-9-7-16(8-10-18)17-11-12-36-14-17)25(22)19-5-3-4-6-20(19)35-13-21-27-31-32-28-21/h3-12,14-15,25H,13H2,1-2H3,(H,29,30)(H,27,28,31,32)
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n/an/a 3n/an/an/an/an/an/a



Shionogi & Co., Ltd.

US Patent


Assay Description
Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).


US Patent US8575197 (2013)

More data for this
Ligand-Target Pair
P2X3 purinoceptor


(Homo sapiens (human))
BDBM106191
PNG
(US8575197, II-104)
Show SMILES CC(C)(C)c1[nH]nc2C(=O)N(C(c12)c1ccccc1OCCO)c1ccc(cc1)-c1ccsc1
Show InChI InChI=1S/C27H27N3O3S/c1-27(2,3)25-22-23(28-29-25)26(32)30(19-10-8-17(9-11-19)18-12-15-34-16-18)24(22)20-6-4-5-7-21(20)33-14-13-31/h4-12,15-16,24,31H,13-14H2,1-3H3,(H,28,29)
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n/an/a 3n/an/an/an/an/an/a



Shionogi & Co., Ltd.

US Patent


Assay Description
Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).


US Patent US8575197 (2013)

More data for this
Ligand-Target Pair
P2X3 purinoceptor


(Homo sapiens (human))
BDBM183283
PNG
(US9150546, I-452)
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
Show InChI InChI=1/C24H26ClFN4O5/c1-14(2)35-20-10-9-18(11-19(20)26)27-22-28-23(32)30(12-15(3)21(31)34-4)24(33)29(22)13-16-5-7-17(25)8-6-16/h5-11,14-15H,12-13H2,1-4H3,(H,27,28,32)/t15-/s2
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n/an/a 3n/an/an/an/an/an/a



SHIONOGI & CO., LTD.

US Patent


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


US Patent US9150546 (2015)

More data for this
Ligand-Target Pair
P2X3 purinoceptor


(Homo sapiens (human))
BDBM196389
PNG
(US9212130, I-311)
Show SMILES Fc1cc(Oc2ccc(Nc3ncc(NC(=O)C4CCOCC4)c(=O)n3Cc3ccc(Cl)cc3)cc2)cnc1Cl
Show InChI InChI=1S/C28H24Cl2FN5O4/c29-19-3-1-17(2-4-19)16-36-27(38)24(35-26(37)18-9-11-39-12-10-18)15-33-28(36)34-20-5-7-21(8-6-20)40-22-13-23(31)25(30)32-14-22/h1-8,13-15,18H,9-12,16H2,(H,33,34)(H,35,37)
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SHIONOGI & CO., LTD.

US Patent


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


US Patent US9212130 (2015)

More data for this
Ligand-Target Pair
P2X3 purinoceptor


(Homo sapiens (human))
BDBM105976
PNG
(US8575197, I-486)
Show SMILES CC(C)C(=O)C1C(N(C(=O)C1=O)c1ccc(cc1)-c1ccc(C)o1)c1ccccc1N1CCOCC1
Show InChI InChI=1S/C29H30N2O5/c1-18(2)27(32)25-26(22-6-4-5-7-23(22)30-14-16-35-17-15-30)31(29(34)28(25)33)21-11-9-20(10-12-21)24-13-8-19(3)36-24/h4-13,18,25-26H,14-17H2,1-3H3
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n/an/a 4n/an/an/an/an/an/a



Shionogi & Co., Ltd.

US Patent


Assay Description
Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).


US Patent US8575197 (2013)

More data for this
Ligand-Target Pair
P2X3 purinoceptor


(Homo sapiens (human))
BDBM196344
PNG
(US9212130, I-264)
Show SMILES Cc1nc2ccc(Nc3ncc(NC(=O)C4CCOCC4)c(=O)n3Cc3ccc(Cl)cc3)cc2s1
Show InChI InChI=1S/C25H24ClN5O3S/c1-15-28-20-7-6-19(12-22(20)35-15)29-25-27-13-21(30-23(32)17-8-10-34-11-9-17)24(33)31(25)14-16-2-4-18(26)5-3-16/h2-7,12-13,17H,8-11,14H2,1H3,(H,27,29)(H,30,32)
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SHIONOGI & CO., LTD.

US Patent


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


US Patent US9212130 (2015)

More data for this
Ligand-Target Pair
P2X3 purinoceptor


(Homo sapiens (human))
BDBM196348
PNG
(US9212130, I-268)
Show SMILES CC(C)Oc1ccc(Nc2ncc(NC(=O)C(C)(C)O)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C24H26ClFN4O4/c1-14(2)34-20-10-9-17(11-18(20)26)28-23-27-12-19(29-22(32)24(3,4)33)21(31)30(23)13-15-5-7-16(25)8-6-15/h5-12,14,33H,13H2,1-4H3,(H,27,28)(H,29,32)
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SHIONOGI & CO., LTD.

US Patent


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


US Patent US9212130 (2015)

More data for this
Ligand-Target Pair
P2X3 purinoceptor


(Homo sapiens (human))
BDBM196383
PNG
(US9212130, I-305)
Show SMILES OC(=O)c1cncc(Oc2ccc(Nc3ncc(NC(=O)C4CCOCC4)c(=O)n3Cc3ccc(Cl)cc3)cc2)c1
Show InChI InChI=1S/C29H26ClN5O6/c30-21-3-1-18(2-4-21)17-35-27(37)25(34-26(36)19-9-11-40-12-10-19)16-32-29(35)33-22-5-7-23(8-6-22)41-24-13-20(28(38)39)14-31-15-24/h1-8,13-16,19H,9-12,17H2,(H,32,33)(H,34,36)(H,38,39)
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SHIONOGI & CO., LTD.

US Patent


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


US Patent US9212130 (2015)

More data for this
Ligand-Target Pair
P2X3 purinoceptor


(Homo sapiens (human))
BDBM183347
PNG
(US9150546, I-521)
Show SMILES CCOC(=O)CCCn1c(=O)[nH]\c(=N/c2ccc(OC(C)C)c(C)c2)n(Cc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C27H34N4O5/c1-6-35-24(32)8-7-15-30-26(33)29-25(28-22-13-14-23(20(5)16-22)36-18(2)3)31(27(30)34)17-21-11-9-19(4)10-12-21/h9-14,16,18H,6-8,15,17H2,1-5H3,(H,28,29,33)
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n/an/a 4n/an/an/an/an/an/a



SHIONOGI & CO., LTD.

US Patent


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


US Patent US9150546 (2015)

More data for this
Ligand-Target Pair
P2X3 purinoceptor


(Homo sapiens (human))
BDBM183252
PNG
(US9150546, I-423)
Show SMILES CCOC(=O)C1(Cn2c(=O)[nH]\c(=N/c3ccc(OC(C)C)c(Cl)c3)n(Cc3ccc(Cl)cc3)c2=O)CC1
Show InChI InChI=1S/C26H28Cl2N4O5/c1-4-36-22(33)26(11-12-26)15-32-24(34)30-23(29-19-9-10-21(20(28)13-19)37-16(2)3)31(25(32)35)14-17-5-7-18(27)8-6-17/h5-10,13,16H,4,11-12,14-15H2,1-3H3,(H,29,30,34)
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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)

More data for this
Ligand-Target Pair
P2X3 purinoceptor


(Homo sapiens (human))
BDBM183258
PNG
(US9150546, I-431)
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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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)

More data for this
Ligand-Target Pair
P2X3 purinoceptor


(Homo sapiens (human))
BDBM183289
PNG
(US9150546, I-458)
Show SMILES COC(=O)[C@@H](C)Cn1c(=O)[nH]\c(=N/c2ccc(OC(C)C)c(Cl)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1/C24H26Cl2N4O5/c1-14(2)35-20-10-9-18(11-19(20)26)27-22-28-23(32)30(12-15(3)21(31)34-4)24(33)29(22)13-16-5-7-17(25)8-6-16/h5-11,14-15H,12-13H2,1-4H3,(H,27,28,32)/t15-/s2
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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)

More data for this
Ligand-Target Pair
P2X3 purinoceptor


(Homo sapiens (human))
BDBM183293
PNG
(US9150546, I-462)
Show SMILES CCOc1ccc(cc1C)\N=c1/[nH]c(=O)n(CC(C)(C)C(=O)OC)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C25H29ClN4O5/c1-6-35-20-12-11-19(13-16(20)2)27-22-28-23(32)30(15-25(3,4)21(31)34-5)24(33)29(22)14-17-7-9-18(26)10-8-17/h7-13H,6,14-15H2,1-5H3,(H,27,28,32)
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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)

More data for this
Ligand-Target Pair
P2X3 purinoceptor


(Homo sapiens (human))
BDBM106256
PNG
(US8575197, II-169)
Show SMILES CC(C)(C)c1[nH]nc2C(=O)N(C(c12)c1ccccc1OCC(N)=O)c1ccc(cc1)-c1ccsc1
Show InChI InChI=1S/C27H26N4O3S/c1-27(2,3)25-22-23(29-30-25)26(33)31(18-10-8-16(9-11-18)17-12-13-35-15-17)24(22)19-6-4-5-7-20(19)34-14-21(28)32/h4-13,15,24H,14H2,1-3H3,(H2,28,32)(H,29,30)
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Shionogi & Co., Ltd.

US Patent


Assay Description
Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).


US Patent US8575197 (2013)

More data for this
Ligand-Target Pair
P2X3 purinoceptor


(Homo sapiens (human))
BDBM106260
PNG
(US8575197, II-173)
Show SMILES CC(C)(C)c1[nH]nc2C(=O)N(C(c12)c1ccccc1OCC#N)c1ccc(cc1)-c1ccsc1
Show InChI InChI=1S/C27H24N4O2S/c1-27(2,3)25-22-23(29-30-25)26(32)31(19-10-8-17(9-11-19)18-12-15-34-16-18)24(22)20-6-4-5-7-21(20)33-14-13-28/h4-12,15-16,24H,14H2,1-3H3,(H,29,30)
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n/an/a 4n/an/an/an/an/an/a



Shionogi & Co., Ltd.

US Patent


Assay Description
Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).


US Patent US8575197 (2013)

More data for this
Ligand-Target Pair
P2X3 purinoceptor


(Homo sapiens (human))
BDBM105673
PNG
(US8575197, I-183)
Show SMILES CC(C)C(=O)C1C(N(C(=O)C1=O)c1ccc(cc1)-c1ccsc1)c1ccccc1OCC#N
Show InChI InChI=1S/C26H22N2O4S/c1-16(2)24(29)22-23(20-5-3-4-6-21(20)32-13-12-27)28(26(31)25(22)30)19-9-7-17(8-10-19)18-11-14-33-15-18/h3-11,14-16,22-23H,13H2,1-2H3
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n/an/a 4n/an/an/an/an/an/a



Shionogi & Co., Ltd.

US Patent


Assay Description
Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).


US Patent US8575197 (2013)

More data for this
Ligand-Target Pair
P2X3 purinoceptor


(Homo sapiens (human))
BDBM106214
PNG
(US8575197, II-127)
Show SMILES CC(C)c1[nH]nc2C(=O)N(C(c12)c1ccccc1OCC#N)c1ccc(cc1)-c1ccsc1
Show InChI InChI=1S/C26H22N4O2S/c1-16(2)23-22-24(29-28-23)26(31)30(19-9-7-17(8-10-19)18-11-14-33-15-18)25(22)20-5-3-4-6-21(20)32-13-12-27/h3-11,14-16,25H,13H2,1-2H3,(H,28,29)
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n/an/a 4n/an/an/an/an/an/a



Shionogi & Co., Ltd.

US Patent


Assay Description
Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).


US Patent US8575197 (2013)

More data for this
Ligand-Target Pair
P2X3 purinoceptor


(Homo sapiens (human))
BDBM106217
PNG
(US8575197, II-130)
Show SMILES COCCOc1ccccc1C1N(C(=O)c2n[nH]c(c12)C(C)(C)CO)c1ccc(cc1)-c1ccsc1
Show InChI InChI=1S/C28H29N3O4S/c1-28(2,17-32)26-23-24(29-30-26)27(33)31(20-10-8-18(9-11-20)19-12-15-36-16-19)25(23)21-6-4-5-7-22(21)35-14-13-34-3/h4-12,15-16,25,32H,13-14,17H2,1-3H3,(H,29,30)
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Shionogi & Co., Ltd.

US Patent


Assay Description
Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).


US Patent US8575197 (2013)

More data for this
Ligand-Target Pair
P2X3 purinoceptor


(Homo sapiens (human))
BDBM106099
PNG
(US8575197, II-012)
Show SMILES CC(C)(C)c1[nH]nc2C(=O)N(C(c12)c1ccccc1OCCO)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C27H27N3O3S/c1-27(2,3)25-22-23(28-29-25)26(32)30(18-12-10-17(11-13-18)21-9-6-16-34-21)24(22)19-7-4-5-8-20(19)33-15-14-31/h4-13,16,24,31H,14-15H2,1-3H3,(H,28,29)
PDB

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Shionogi & Co., Ltd.

US Patent


Assay Description
Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).


US Patent US8575197 (2013)

More data for this
Ligand-Target Pair
P2X3 purinoceptor


(Homo sapiens (human))
BDBM106109
PNG
(US8575197, II-022)
Show SMILES CC(C)(C)c1[nH]nc2C(=O)N(C(c12)c1ccccc1OCC(O)=O)c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C27H25N3O4S/c1-27(2,3)25-22-23(28-29-25)26(33)30(17-12-10-16(11-13-17)20-9-6-14-35-20)24(22)18-7-4-5-8-19(18)34-15-21(31)32/h4-14,24H,15H2,1-3H3,(H,28,29)(H,31,32)
PDB

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Shionogi & Co., Ltd.

US Patent


Assay Description
Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).


US Patent US8575197 (2013)

More data for this
Ligand-Target Pair
P2X3 purinoceptor


(Homo sapiens (human))
BDBM106110
PNG
(US8575197, II-023)
Show SMILES CC(C)(C)c1[nH]nc2C(=O)N(C(c12)c1ccccc1OCC(O)=O)c1ccc(cc1)-c1ccsc1
Show InChI InChI=1S/C27H25N3O4S/c1-27(2,3)25-22-23(28-29-25)26(33)30(18-10-8-16(9-11-18)17-12-13-35-15-17)24(22)19-6-4-5-7-20(19)34-14-21(31)32/h4-13,15,24H,14H2,1-3H3,(H,28,29)(H,31,32)
PDB

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Shionogi & Co., Ltd.

US Patent


Assay Description
Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).


US Patent US8575197 (2013)

More data for this
Ligand-Target Pair
P2X3 purinoceptor


(Homo sapiens (human))
BDBM106175
PNG
(US8575197, II-088)
Show SMILES CC(C)c1[nH]nc2C(=O)N(C(c12)c1ccccc1NS(C)(=O)=O)c1ccc(cc1)-c1ccsc1
Show InChI InChI=1S/C25H24N4O3S2/c1-15(2)22-21-23(27-26-22)25(30)29(18-10-8-16(9-11-18)17-12-13-33-14-17)24(21)19-6-4-5-7-20(19)28-34(3,31)32/h4-15,24,28H,1-3H3,(H,26,27)
PDB

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Shionogi & Co., Ltd.

US Patent


Assay Description
Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).


US Patent US8575197 (2013)

More data for this
Ligand-Target Pair
P2X3 purinoceptor


(Homo sapiens (human))
BDBM196314
PNG
(US9212130, I-234)
Show SMILES CC(C)Oc1ccc(Nc2ncc(NC(=O)C3CCOCC3)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C26H28ClFN4O4/c1-16(2)36-23-8-7-20(13-21(23)28)30-26-29-14-22(31-24(33)18-9-11-35-12-10-18)25(34)32(26)15-17-3-5-19(27)6-4-17/h3-8,13-14,16,18H,9-12,15H2,1-2H3,(H,29,30)(H,31,33)
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SHIONOGI & CO., LTD.

US Patent


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


US Patent US9212130 (2015)

More data for this
Ligand-Target Pair
P2X3 purinoceptor


(Homo sapiens (human))
BDBM183342
PNG
(US9150546, I-516)
Show SMILES CCOC(=O)CCCn1c(=O)[nH]\c(=N/c2ccc(OC(C)C)c(Cl)c2)n(Cc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C26H31ClN4O5/c1-5-35-23(32)7-6-14-30-25(33)29-24(28-20-12-13-22(21(27)15-20)36-17(2)3)31(26(30)34)16-19-10-8-18(4)9-11-19/h8-13,15,17H,5-7,14,16H2,1-4H3,(H,28,29,33)
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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)

More data for this
Ligand-Target Pair
P2X3 purinoceptor


(Homo sapiens (human))
BDBM105932
PNG
(US8575197, 655)
Show SMILES CC(C)CC(=O)C1C(N(C(=O)C1=O)c1ccc(cc1)-c1ccsc1)c1ccccc1N1CCOCC1
Show InChI InChI=1S/C29H30N2O4S/c1-19(2)17-25(32)26-27(23-5-3-4-6-24(23)30-12-14-35-15-13-30)31(29(34)28(26)33)22-9-7-20(8-10-22)21-11-16-36-18-21/h3-11,16,18-19,26-27H,12-15,17H2,1-2H3
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Shionogi & Co., Ltd.

US Patent


Assay Description
Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).


US Patent US8575197 (2013)

More data for this
Ligand-Target Pair
P2X3 purinoceptor


(Homo sapiens (human))
BDBM183384
PNG
(US9150546, I-558)
Show SMILES COC(=O)[C@H](C)Cn1c(=O)[nH]\c(=N/c2ccc3oc(C)cc3c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1/C24H23ClN4O5/c1-14(21(30)33-3)12-29-23(31)27-22(26-19-8-9-20-17(11-19)10-15(2)34-20)28(24(29)32)13-16-4-6-18(25)7-5-16/h4-11,14H,12-13H2,1-3H3,(H,26,27,31)/t14-/s2
PDB

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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)

More data for this
Ligand-Target Pair
P2X3 purinoceptor


(Homo sapiens (human))
BDBM196199
PNG
(US9212130, I-094)
Show SMILES CC(C)Oc1ccc(Nc2cc(=O)n(CC3COC(C)(C)OC3)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl
Show InChI InChI=1S/C27H31Cl2N3O5/c1-17(2)37-23-10-9-21(11-22(23)29)30-24-12-25(33)32(14-19-15-35-27(3,4)36-16-19)26(34)31(24)13-18-5-7-20(28)8-6-18/h5-12,17,19,30H,13-16H2,1-4H3
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SHIONOGI & CO., LTD.

US Patent


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


US Patent US9212130 (2015)

More data for this
Ligand-Target Pair
P2X3 purinoceptor


(Homo sapiens (human))
BDBM183270
PNG
(US9150546, I-438)
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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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)

More data for this
Ligand-Target Pair
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