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Patent code US9718790

Compile Data Set for Download or QSAR

Found 2250 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))
BDBM265201
PNG
(US9718790, I-1058)
Show SMILES CCCCCOc1ccc(cc1)\N=c1/[nH]c(=O)n(CCC(=O)OCC)c(=O)n1Cc1ccc(C)cc1
Show InChI InChI=1S/C27H34N4O5/c1-4-6-7-18-36-23-14-12-22(13-15-23)28-25-29-26(33)30(17-16-24(32)35-5-2)27(34)31(25)19-21-10-8-20(3)9-11-21/h8-15H,4-7,16-19H2,1-3H3,(H,28,29,33)
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n/an/a 43n/an/an/an/a7.5n/a



SHIONOGI & CO., LTD.

US Patent


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


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM265204
PNG
(US9718790, I-1059)
Show SMILES CC[C@H](C)COc1ccc(cc1)\N=c1/[nH]c(=O)n(C[C@H](C)C(O)=O)c(=O)n1Cc1ccc(C)cc1
Show InChI InChI=1S/C26H32N4O5/c1-5-17(2)16-35-22-12-10-21(11-13-22)27-24-28-25(33)30(14-19(4)23(31)32)26(34)29(24)15-20-8-6-18(3)7-9-20/h6-13,17,19H,5,14-16H2,1-4H3,(H,31,32)(H,27,28,33)/t17-,19-/m0/s1
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n/an/a 123n/an/an/an/a7.5n/a



SHIONOGI & CO., LTD.

US Patent


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


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM183241
PNG
(US9150546, I-411 | US9688643, I-411 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(cc1F)\N=c1/[nH]c(=O)n(CCC(O)=O)c(=O)n1Cc1ccc(C)cc1
Show InChI InChI=1S/C23H25FN4O5/c1-14(2)33-19-9-8-17(12-18(19)24)25-21-26-22(31)27(11-10-20(29)30)23(32)28(21)13-16-6-4-15(3)5-7-16/h4-9,12,14H,10-11,13H2,1-3H3,(H,29,30)(H,25,26,31)
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SHIONOGI & CO., LTD.

US Patent


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


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM265235
PNG
(US9718790, I-1780)
Show SMILES C[C@H]([C@H](C)n1c(=O)[nH]\c(=N/c2ccc3n(CC(F)(F)F)c(=O)sc3c2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O
Show InChI InChI=1S/C24H21ClF3N5O5S/c1-12(19(34)35)13(2)33-21(36)30-20(31(22(33)37)10-14-3-5-15(25)6-4-14)29-16-7-8-17-18(9-16)39-23(38)32(17)11-24(26,27)28/h3-9,12-13H,10-11H2,1-2H3,(H,34,35)(H,29,30,36)/t12-,13+/m1/s1
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n/an/a 932n/an/an/an/a7.5n/a



SHIONOGI & CO., LTD.

US Patent


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


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM265672
PNG
(US9718790, I-1962)
Show SMILES OCc1cc(Oc2ccc(cc2)\N=c2/[nH]c(=O)[nH]c(=O)n2Cc2ccc(Cl)cc2)ccn1
Show InChI InChI=1S/C22H18ClN5O4/c23-15-3-1-14(2-4-15)12-28-20(26-21(30)27-22(28)31)25-16-5-7-18(8-6-16)32-19-9-10-24-17(11-19)13-29/h1-11,29H,12-13H2,(H2,25,26,27,30,31)
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SHIONOGI & CO., LTD.

US Patent


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


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM265675
PNG
(US9718790, I-1963)
Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3cc(on3)C(O)=O)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C22H18ClN5O6/c1-2-27-21(31)25-20(28(22(27)32)12-13-3-5-14(23)6-4-13)24-15-7-9-16(10-8-15)33-18-11-17(19(29)30)34-26-18/h3-11H,2,12H2,1H3,(H,29,30)(H,24,25,31)
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SHIONOGI & CO., LTD.

US Patent


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


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM265677
PNG
(US9718790, I-1236)
Show SMILES COC(=O)C(C)(C)Cn1c(=O)[nH]\c(=N/c2ccc(OCC3CC3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C26H29ClN4O5/c1-26(2,22(32)35-3)16-31-24(33)29-23(30(25(31)34)14-17-6-8-19(27)9-7-17)28-20-10-12-21(13-11-20)36-15-18-4-5-18/h6-13,18H,4-5,14-16H2,1-3H3,(H,28,29,33)
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SHIONOGI & CO., LTD.

US Patent


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


US Patent US9718790 (2017)

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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SHIONOGI & CO., LTD.

US Patent


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


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM265691
PNG
(US9718790, I-0582)
Show SMILES CC(C)Oc1ccc(cc1F)\N=c1/[nH]c(OCC(=O)NCCO)nc(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C23H25ClFN5O5/c1-14(2)35-19-8-7-17(11-18(19)25)27-21-28-22(34-13-20(32)26-9-10-31)29-23(33)30(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,27,28,29,33)
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SHIONOGI & CO., LTD.

US Patent


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


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM265695
PNG
(US9718790, I-1242)
Show SMILES COC(=O)C(C)(C)Cn1c(=O)[nH]\c(=N/c2ccc(OCC3CC3)cc2)n(Cc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C27H32N4O5/c1-18-5-7-19(8-6-18)15-30-24(28-21-11-13-22(14-12-21)36-16-20-9-10-20)29-25(33)31(26(30)34)17-27(2,3)23(32)35-4/h5-8,11-14,20H,9-10,15-17H2,1-4H3,(H,28,29,33)
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SHIONOGI & CO., LTD.

US Patent


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


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM265698
PNG
(US9718790, I-1243)
Show SMILES Cc1ccc(Cn2c(=O)n(CCCC(O)=O)c(=O)[nH]\c2=N/c2ccc(Oc3ccncc3)cc2)cc1
Show InChI InChI=1S/C26H25N5O5/c1-18-4-6-19(7-5-18)17-31-24(29-25(34)30(26(31)35)16-2-3-23(32)33)28-20-8-10-21(11-9-20)36-22-12-14-27-15-13-22/h4-15H,2-3,16-17H2,1H3,(H,32,33)(H,28,29,34)
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SHIONOGI & CO., LTD.

US Patent


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


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM265699
PNG
(US9718790, I-1971)
Show SMILES CCOC(=O)[C@@H](C)Cn1c(=O)[nH]\c(=N/c2ccc3oc(CO)cc3c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C25H25ClN4O6/c1-3-35-22(32)15(2)12-30-24(33)28-23(29(25(30)34)13-16-4-6-18(26)7-5-16)27-19-8-9-21-17(10-19)11-20(14-31)36-21/h4-11,15,31H,3,12-14H2,1-2H3,(H,27,28,33)/t15-/m0/s1
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SHIONOGI & CO., LTD.

US Patent


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


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM265703
PNG
(US9718790, I-0587)
Show SMILES CC(C)Oc1ccc(cc1F)\N=c1/[nH]c(OCC(N)=O)nc(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C21H21ClFN5O4/c1-12(2)32-17-8-7-15(9-16(17)23)25-19-26-20(31-11-18(24)29)27-21(30)28(19)10-13-3-5-14(22)6-4-13/h3-9,12H,10-11H2,1-2H3,(H2,24,29)(H,25,26,27,30)
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SHIONOGI & CO., LTD.

US Patent


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


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM265707
PNG
(US9718790, I-1246)
Show SMILES CCOC(=O)CCn1c(=O)[nH]\c(=N/c2ccc(OC(C)C)c(OC)c2)n(Cc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C26H32N4O6/c1-6-35-23(31)13-14-29-25(32)28-24(30(26(29)33)16-19-9-7-18(4)8-10-19)27-20-11-12-21(36-17(2)3)22(15-20)34-5/h7-12,15,17H,6,13-14,16H2,1-5H3,(H,27,28,32)
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SHIONOGI & CO., LTD.

US Patent


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


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM266904
PNG
(US9718790, I-2645)
Show SMILES CNC(=O)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3nccs3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C22H19ClN6O4S/c1-24-18(30)13-29-20(31)27-19(28(22(29)32)12-14-2-4-15(23)5-3-14)26-16-6-8-17(9-7-16)33-21-25-10-11-34-21/h2-11H,12-13H2,1H3,(H,24,30)(H,26,27,31)
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SHIONOGI & CO., LTD.

US Patent


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


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM266905
PNG
(US9718790, I-2646)
Show SMILES OCCNC(=O)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3nccs3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C23H21ClN6O5S/c24-16-3-1-15(2-4-16)13-29-20(28-21(33)30(23(29)34)14-19(32)25-9-11-31)27-17-5-7-18(8-6-17)35-22-26-10-12-36-22/h1-8,10,12,31H,9,11,13-14H2,(H,25,32)(H,27,28,33)
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SHIONOGI & CO., LTD.

US Patent


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


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM266916
PNG
(US9718790, I-2658)
Show SMILES CCOC(=O)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3cccnn3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C24H21ClN6O5/c1-2-35-21(32)15-31-23(33)28-22(30(24(31)34)14-16-5-7-17(25)8-6-16)27-18-9-11-19(12-10-18)36-20-4-3-13-26-29-20/h3-13H,2,14-15H2,1H3,(H,27,28,33)
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SHIONOGI & CO., LTD.

US Patent


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


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM266929
PNG
(US9718790, I-2675)
Show SMILES NC(=O)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3cnsn3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C20H16ClN7O4S/c21-13-3-1-12(2-4-13)10-27-18(25-19(30)28(20(27)31)11-16(22)29)24-14-5-7-15(8-6-14)32-17-9-23-33-26-17/h1-9H,10-11H2,(H2,22,29)(H,24,25,30)
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SHIONOGI & CO., LTD.

US Patent


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


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM266937
PNG
(US9718790, I-2683)
Show SMILES Cc1ccc(Cn2c(=O)n(CCC(O)=O)c(=O)[nH]\c2=N/c2ccc(Oc3cccc(n3)C(N)=O)cc2)cc1
Show InChI InChI=1S/C26H24N6O6/c1-16-5-7-17(8-6-16)15-32-24(30-25(36)31(26(32)37)14-13-22(33)34)28-18-9-11-19(12-10-18)38-21-4-2-3-20(29-21)23(27)35/h2-12H,13-15H2,1H3,(H2,27,35)(H,33,34)(H,28,30,36)
PDB

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SHIONOGI & CO., LTD.

US Patent


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


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM266940
PNG
(US9718790, I-2686)
Show SMILES NC(=O)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ncccn3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C22H18ClN7O4/c23-15-4-2-14(3-5-15)12-29-19(28-21(32)30(22(29)33)13-18(24)31)27-16-6-8-17(9-7-16)34-20-25-10-1-11-26-20/h1-11H,12-13H2,(H2,24,31)(H,27,28,32)
PDB

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SHIONOGI & CO., LTD.

US Patent


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


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM266942
PNG
(US9718790, I-2688)
Show SMILES OCCNC(=O)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ncccn3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C24H22ClN7O5/c25-17-4-2-16(3-5-17)14-31-21(30-23(35)32(24(31)36)15-20(34)26-12-13-33)29-18-6-8-19(9-7-18)37-22-27-10-1-11-28-22/h1-11,33H,12-15H2,(H,26,34)(H,29,30,35)
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US Patent


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


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM266953
PNG
(US9718790, I-2699)
Show SMILES CCn1c(=O)nc(Nc2ccc(Oc3ccc(nn3)C(O)=O)cc2)n(Cc2ccc(F)cc2)c1=O
Show InChI InChI=1S/C23H19FN6O5/c1-2-29-22(33)26-21(30(23(29)34)13-14-3-5-15(24)6-4-14)25-16-7-9-17(10-8-16)35-19-12-11-18(20(31)32)27-28-19/h3-12H,2,13H2,1H3,(H,31,32)(H,25,26,33)
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US Patent


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


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM266962
PNG
(US9718790, I-2709)
Show SMILES Cc1cncc(Oc2ccc(cc2)\N=c2/[nH]c(=O)n(CC(CO)CO)c(=O)n2Cc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C25H25ClN6O5/c1-16-10-27-11-22(28-16)37-21-8-6-20(7-9-21)29-23-30-24(35)32(13-18(14-33)15-34)25(36)31(23)12-17-2-4-19(26)5-3-17/h2-11,18,33-34H,12-15H2,1H3,(H,29,30,35)
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US Patent


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


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(RAT)
BDBM265052
PNG
(US9718790, I-1679)
Show SMILES Cc1nc2ccc(cc2s1)\N=c1/[nH]c(=O)n(CCO)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C20H18ClN5O3S/c1-12-22-16-7-6-15(10-17(16)30-12)23-18-24-19(28)25(8-9-27)20(29)26(18)11-13-2-4-14(21)5-3-13/h2-7,10,27H,8-9,11H2,1H3,(H,23,24,28)
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US Patent


Assay Description
Rat P2X3 receptor gene (GenBank accession number NM_031075) was expressed in C6BU-1 cell. The cells stably expressing rat P2X3 were seeded in a 96-we...


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM183247
PNG
(US9150546, I-418 | US9688643, I-418 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(cc1F)\N=c1/[nH]c(=O)n(CC(=O)N[C@@H](C)C(O)=O)c(=O)n1Cc1ccc(C)cc1
Show InChI InChI=1S/C25H28FN5O6/c1-14(2)37-20-10-9-18(11-19(20)26)28-23-29-24(35)31(13-21(32)27-16(4)22(33)34)25(36)30(23)12-17-7-5-15(3)6-8-17/h5-11,14,16H,12-13H2,1-4H3,(H,27,32)(H,33,34)(H,28,29,35)/t16-/m0/s1
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Assay Description
Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM265258
PNG
(US9718790, I-1078)
Show SMILES COC(=O)[C@@H](C)Cn1c(=O)[nH]\c(=N/c2ccc(cc2)C2=CCCCC2)n(Cc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C28H32N4O4/c1-19-9-11-21(12-10-19)18-31-26(30-27(34)32(28(31)35)17-20(2)25(33)36-3)29-24-15-13-23(14-16-24)22-7-5-4-6-8-22/h7,9-16,20H,4-6,8,17-18H2,1-3H3,(H,29,30,34)/t20-/m0/s1
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Assay Description
Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM183250
PNG
(US9150546, I-421 | US9688643, I-421 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(cc1Cl)\N=c1/[nH]c(=O)n(CCC(C)(C)C(O)=O)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C25H28Cl2N4O5/c1-15(2)36-20-10-9-18(13-19(20)27)28-22-29-23(34)30(12-11-25(3,4)21(32)33)24(35)31(22)14-16-5-7-17(26)8-6-16/h5-10,13,15H,11-12,14H2,1-4H3,(H,32,33)(H,28,29,34)
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Assay Description
Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM183252
PNG
(US9150546, I-423 | US9718790, I-0422)
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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Assay Description
Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM265270
PNG
(US9718790, I-1083)
Show SMILES COC(=O)[C@@H](C)Cn1c(=O)[nH]\c(=N/c2ccc(cc2)C2=CCCC2)n(Cc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C27H30N4O4/c1-18-8-10-20(11-9-18)17-30-25(28-23-14-12-22(13-15-23)21-6-4-5-7-21)29-26(33)31(27(30)34)16-19(2)24(32)35-3/h6,8-15,19H,4-5,7,16-17H2,1-3H3,(H,28,29,33)/t19-/m0/s1
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Assay Description
Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM265273
PNG
(US9718790, I-1084)
Show SMILES COC(=O)[C@@H](C)Cn1c(=O)[nH]\c(=N/c2cccc(c2)C2=CCCC2)n(Cc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C27H30N4O4/c1-18-11-13-20(14-12-18)17-30-25(28-23-10-6-9-22(15-23)21-7-4-5-8-21)29-26(33)31(27(30)34)16-19(2)24(32)35-3/h6-7,9-15,19H,4-5,8,16-17H2,1-3H3,(H,28,29,33)/t19-/m0/s1
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Assay Description
Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM265277
PNG
(US9718790, I-1799)
Show SMILES COc1ccc(Oc2ccc(cc2)\N=c2/[nH]c(=O)n(CC(O)=O)c(=O)n2Cc2ccc(Cl)cc2)cn1
Show InChI InChI=1S/C24H20ClN5O6/c1-35-20-11-10-19(12-26-20)36-18-8-6-17(7-9-18)27-22-28-23(33)30(14-21(31)32)24(34)29(22)13-15-2-4-16(25)5-3-15/h2-12H,13-14H2,1H3,(H,31,32)(H,27,28,33)
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Assay Description
Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM265289
PNG
(US9718790, I-1805)
Show SMILES CCc1nc2ccc(cc2s1)\N=c1/[nH]c(=O)n(CC(N)=O)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C21H19ClN6O3S/c1-2-18-25-15-8-7-14(9-16(15)32-18)24-19-26-20(30)28(11-17(23)29)21(31)27(19)10-12-3-5-13(22)6-4-12/h3-9H,2,10-11H2,1H3,(H2,23,29)(H,24,26,30)
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Assay Description
Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM183261
PNG
(US9150546, II-002 | US9688643, II-002 | US9718790,...)
Show SMILES CC(C)Oc1ccc(Nc2nc(OCCO)nc(=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(30-10-9-28)26-21(29)27(19)12-14-3-5-15(22)6-4-14/h3-8,11,13,28H,9-10,12H2,1-2H3,(H,24,25,26,29)
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SHIONOGI & CO., LTD.

US Patent


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


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM183263
PNG
(US9150546, II-008 | US9688643, II-008 | US9718790,...)
Show SMILES CC(C)Oc1ccc(Nc2nc(OCC(CO)CO)nc(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C23H26ClFN4O5/c1-14(2)34-20-8-7-18(9-19(20)25)26-21-27-22(33-13-16(11-30)12-31)28-23(32)29(21)10-15-3-5-17(24)6-4-15/h3-9,14,16,30-31H,10-13H2,1-2H3,(H,26,27,28,32)
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Assay Description
Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM265735
PNG
(US9718790, I-1984)
Show SMILES COc1cc(ccc1OC(C)C)\N=c1/[nH]c(=O)n(CC2COC(C)(C)OC2)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C27H33ClN4O6/c1-17(2)38-22-11-10-21(12-23(22)35-5)29-24-30-25(33)32(14-19-15-36-27(3,4)37-16-19)26(34)31(24)13-18-6-8-20(28)9-7-18/h6-12,17,19H,13-16H2,1-5H3,(H,29,30,33)
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Assay Description
Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM265743
PNG
(US9718790, I-1258)
Show SMILES COC(=O)C(C)(C)Cn1c(=O)[nH]\c(=N/c2cccc(c2)C(F)(F)F)n(Cc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C24H25F3N4O4/c1-15-8-10-16(11-9-15)13-30-20(28-18-7-5-6-17(12-18)24(25,26)27)29-21(33)31(22(30)34)14-23(2,3)19(32)35-4/h5-12H,13-14H2,1-4H3,(H,28,29,33)
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Assay Description
Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM265749
PNG
(US9718790, I-1260)
Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3cc(C)nc(C)c3)cc2)n(Cc2ccc(C)cc2)c1=O)C(O)=O
Show InChI InChI=1S/C28H29N5O5/c1-17-5-7-21(8-6-17)16-32-26(31-27(36)33(28(32)37)15-18(2)25(34)35)30-22-9-11-23(12-10-22)38-24-13-19(3)29-20(4)14-24/h5-14,18H,15-16H2,1-4H3,(H,34,35)(H,30,31,36)/t18-/m0/s1
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Assay Description
Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM265751
PNG
(US9718790, I-0609)
Show SMILES CCOc1ccc(cc1F)\N=c1/[nH]c(=O)n(C[C@H](C)C(O)=O)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C22H22ClFN4O5/c1-3-33-18-9-8-16(10-17(18)24)25-20-26-21(31)28(11-13(2)19(29)30)22(32)27(20)12-14-4-6-15(23)7-5-14/h4-10,13H,3,11-12H2,1-2H3,(H,29,30)(H,25,26,31)/t13-/m0/s1
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Assay Description
Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM265767
PNG
(US9718790, I-1266)
Show SMILES COc1cc(ccc1OC(C)C)\N=c1/[nH]c(=O)n(CC(=O)C(O)=O)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C23H23ClN4O7/c1-13(2)35-18-9-8-16(10-19(18)34-3)25-21-26-22(32)28(12-17(29)20(30)31)23(33)27(21)11-14-4-6-15(24)7-5-14/h4-10,13H,11-12H2,1-3H3,(H,30,31)(H,25,26,32)
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Assay Description
Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM265771
PNG
(US9718790, I-1996)
Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3cncc(c3)C(N)=O)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C24H21ClN6O4/c1-2-30-23(33)29-22(31(24(30)34)14-15-3-5-17(25)6-4-15)28-18-7-9-19(10-8-18)35-20-11-16(21(26)32)12-27-13-20/h3-13H,2,14H2,1H3,(H2,26,32)(H,28,29,33)
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Assay Description
Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM265773
PNG
(US9718790, I-1268)
Show SMILES Cc1ccc(Cn2c(=O)n(CC(C)(C)C(O)=O)c(=O)[nH]\c2=N/c2ccc(OCC3CC3)cc2)cc1
Show InChI InChI=1S/C26H30N4O5/c1-17-4-6-18(7-5-17)14-29-23(27-20-10-12-21(13-11-20)35-15-19-8-9-19)28-24(33)30(25(29)34)16-26(2,3)22(31)32/h4-7,10-13,19H,8-9,14-16H2,1-3H3,(H,31,32)(H,27,28,33)
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n/an/a 52n/an/an/an/a7.5n/a



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US Patent


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


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM265786
PNG
(US9718790, I-2001)
Show SMILES COc1cc(ccc1OC(C)C)\N=c1/[nH]c(=O)n(C[C@H]2COC(C)(C)O2)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C26H31ClN4O6/c1-16(2)36-21-11-10-19(12-22(21)34-5)28-23-29-24(32)31(14-20-15-35-26(3,4)37-20)25(33)30(23)13-17-6-8-18(27)9-7-17/h6-12,16,20H,13-15H2,1-5H3,(H,28,29,32)/t20-/m0/s1
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SHIONOGI & CO., LTD.

US Patent


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


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM265932
PNG
(US9718790, I-1328)
Show SMILES CCOC(=O)CCn1c(=O)[nH]\c(=N/c2ccc(OC3CCC3)c(Cl)c2)n(Cc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C26H29ClN4O5/c1-3-35-23(32)13-14-30-25(33)29-24(31(26(30)34)16-18-9-7-17(2)8-10-18)28-19-11-12-22(21(27)15-19)36-20-5-4-6-20/h7-12,15,20H,3-6,13-14,16H2,1-2H3,(H,28,29,33)
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SHIONOGI & CO., LTD.

US Patent


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


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM265943
PNG
(US9718790, I-0674)
Show SMILES CC(C)Oc1ccc(cc1F)\N=c1/[nH]c(=O)n(C2C[C@H]2C(O)=O)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C23H22ClFN4O5/c1-12(2)34-19-8-7-15(9-17(19)25)26-21-27-22(32)29(18-10-16(18)20(30)31)23(33)28(21)11-13-3-5-14(24)6-4-13/h3-9,12,16,18H,10-11H2,1-2H3,(H,30,31)(H,26,27,32)/t16-,18?/m1/s1
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SHIONOGI & CO., LTD.

US Patent


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


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM265956
PNG
(US9718790, I-1336)
Show SMILES CC(C)Oc1ccc(cc1)\N=c1/[nH]c(=O)n([C@H](C)[C@H](C)C(O)=O)c(=O)n1Cc1ccc(C)cc1
Show InChI InChI=1S/C25H30N4O5/c1-15(2)34-21-12-10-20(11-13-21)26-23-27-24(32)29(18(5)17(4)22(30)31)25(33)28(23)14-19-8-6-16(3)7-9-19/h6-13,15,17-18H,14H2,1-5H3,(H,30,31)(H,26,27,32)/t17-,18+/m0/s1
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n/an/a 71n/an/an/an/a7.5n/a



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US Patent


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


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM183268
PNG
(US9150546, I-436 | US9688643, I-436 | US9718790, I...)
Show SMILES CNC(=O)Cn1c(=O)[nH]\c(=N/c2ccc(OC(C)C)c(Cl)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C22H23Cl2N5O4/c1-13(2)33-18-9-8-16(10-17(18)24)26-20-27-21(31)29(12-19(30)25-3)22(32)28(20)11-14-4-6-15(23)7-5-14/h4-10,13H,11-12H2,1-3H3,(H,25,30)(H,26,27,31)
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n/an/a 8n/an/an/an/a7.5n/a



SHIONOGI & CO., LTD.

US Patent


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


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM183273
PNG
(US9150546, I-441 | US9688643, I-441 | US9718790, I...)
Show SMILES CCOc1ccc(cc1Cl)\N=c1/[nH]c(=O)n(CC(C)(C)C(=O)OC)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C24H26Cl2N4O5/c1-5-35-19-11-10-17(12-18(19)26)27-21-28-22(32)30(14-24(2,3)20(31)34-4)23(33)29(21)13-15-6-8-16(25)9-7-15/h6-12H,5,13-14H2,1-4H3,(H,27,28,32)
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n/an/a 11n/an/an/an/a7.5n/a



SHIONOGI & CO., LTD.

US Patent


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


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM183281
PNG
(US9150546, I-450 | US9688643, I-450 | US9718790, I...)
Show SMILES COC(=O)c1cccc(Cn2c(=O)[nH]\c(=N/c3ccc(OC(C)C)c(F)c3)n(Cc3ccc(Cl)cc3)c2=O)c1
Show InChI InChI=1S/C28H26ClFN4O5/c1-17(2)39-24-12-11-22(14-23(24)30)31-26-32-27(36)34(16-19-5-4-6-20(13-19)25(35)38-3)28(37)33(26)15-18-7-9-21(29)10-8-18/h4-14,17H,15-16H2,1-3H3,(H,31,32,36)
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SHIONOGI & CO., LTD.

US Patent


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


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM265358
PNG
(US9718790, I-1835)
Show SMILES Cc1cc(Oc2ccc(cc2)\N=c2/[nH]c(=O)n(CCCO)c(=O)n2Cc2ccc(Cl)cc2)no1
Show InChI InChI=1S/C23H22ClN5O5/c1-15-13-20(27-34-15)33-19-9-7-18(8-10-19)25-21-26-22(31)28(11-2-12-30)23(32)29(21)14-16-3-5-17(24)6-4-16/h3-10,13,30H,2,11-12,14H2,1H3,(H,25,26,31)
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US Patent


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


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM183287
PNG
(US9150546, I-456 | US9688643, I-456 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(cc1F)\N=c1/[nH]c(=O)n(C[C@H](C)C(O)=O)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C23H24ClFN4O5/c1-13(2)34-19-9-8-17(10-18(19)25)26-21-27-22(32)29(11-14(3)20(30)31)23(33)28(21)12-15-4-6-16(24)7-5-15/h4-10,13-14H,11-12H2,1-3H3,(H,30,31)(H,26,27,32)/t14-/m0/s1
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SHIONOGI & CO., LTD.

US Patent


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


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
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