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Compile Data Set for Download or QSAR

Found 325 hits of ec50 data for polymerid = 49000139,50001822,50005704   
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))
BDBM183374
PNG
(US9150546, I-548 | US9688643, I-548 | US9718790, I...)
Show SMILES COC(=O)[C@@H](C)Cn1c(=O)[nH]\c(=N/c2ccc(OC(C)C)c(Cl)c2)n(CC2CCCCC2)c1=O |r|
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n/an/a 12n/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))
BDBM183192
PNG
(US9150546, I-356 | US9688643, I-356 | US9718790, I...)
Show SMILES CCOC(=O)CCn1c(=O)nc(Nc2ccc(OC(C)C)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C24H26ClFN4O5/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 12n/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))
BDBM183239
PNG
(US9150546, I-409 | US9688643, I-409 | US9718790, I...)
Show SMILES COC(=O)CCn1c(=O)[nH]\c(=N/c2ccc(OC(C)C)c(F)c2)n(Cc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C24H27FN4O5/c1-15(2)34-20-10-9-18(13-19(20)25)26-22-27-23(31)28(12-11-21(30)33-4)24(32)29(22)14-17-7-5-16(3)6-8-17/h5-10,13,15H,11-12,14H2,1-4H3,(H,26,27,31)
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n/an/a 12n/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))
BDBM183124
PNG
(US9150546, I-276 | US9688643, I-276 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CC(CO)CO)c(=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(32)29(11-16(12-30)13-31)23(33)28(21)10-15-3-5-17(24)6-4-15/h3-9,14,16,30-31H,10-13H2,1-2H3,(H,26,27,32)
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n/an/a 12n/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))
BDBM183128
PNG
(US9150546, I-281 | US9688643, I-281 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CCN3CCOCC3)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C25H29ClFN5O4/c1-17(2)36-22-8-7-20(15-21(22)27)28-23-29-24(33)31(10-9-30-11-13-35-14-12-30)25(34)32(23)16-18-3-5-19(26)6-4-18/h3-8,15,17H,9-14,16H2,1-2H3,(H,28,29,33)
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n/an/a 12n/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))
BDBM183234
PNG
(US9150546, I-404 | US9688643, I-404 | US9718790, I...)
Show SMILES COC(=O)C(C)(C)Cn1c(=O)[nH]\c(=N/c2ccc(OC(C)C)c(F)c2)n(Cc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C26H31FN4O5/c1-16(2)36-21-12-11-19(13-20(21)27)28-23-29-24(33)31(15-26(4,5)22(32)35-6)25(34)30(23)14-18-9-7-17(3)8-10-18/h7-13,16H,14-15H2,1-6H3,(H,28,29,33)
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n/an/a 12n/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))
BDBM183330
PNG
(US9150546, I-500 | US9688643, I-500 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(cc1Cl)\N=c1/[nH]c(=O)n(CCCC(O)=O)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C23H24Cl2N4O5/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 13n/an/an/an/a7.537



SHIONOGI & CO., LTD.

US Patent


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


US Patent US9150546 (2015)


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


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



SHIONOGI & CO., LTD.

US Patent


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


US Patent US9150546 (2015)


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


(Homo sapiens (Human))
BDBM183381
PNG
(US9150546, I-555 | US9688643, I-555 | US9718790, I...)
Show SMILES COC(=O)[C@@H](C)Cn1c(=O)[nH]\c(=N/c2ccc(OC(C)C)c(C)c2)n(CC2CCCCC2)c1=O |r|
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n/an/a 13n/an/an/an/a7.537



SHIONOGI & CO., LTD.

US Patent


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


US Patent US9150546 (2015)


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


(Homo sapiens (Human))
BDBM183132
PNG
(US9150546, I-285 | US9688643, I-285 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CCCO)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C22H24ClFN4O4/c1-14(2)32-19-9-8-17(12-18(19)24)25-20-26-21(30)27(10-3-11-29)22(31)28(20)13-15-4-6-16(23)7-5-15/h4-9,12,14,29H,3,10-11,13H2,1-2H3,(H,25,26,30)
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n/an/a 14n/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))
BDBM183305
PNG
(US9150546, I-474 | US9688643, I-474 | US9718790, I...)
Show SMILES COC(=O)C(C)n1c(=O)[nH]\c(=N/c2ccc(OC(C)C)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O
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n/an/a 14n/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))
BDBM183334
PNG
(US9150546, I-504 | US9688643, I-504 | US9718790, I...)
Show SMILES CCOC(=O)CCCn1c(=O)[nH]\c(=N/c2ccc3oc(C)cc3c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C25H25ClN4O5/c1-3-34-22(31)5-4-12-29-24(32)28-23(27-20-10-11-21-18(14-20)13-16(2)35-21)30(25(29)33)15-17-6-8-19(26)9-7-17/h6-11,13-14H,3-5,12,15H2,1-2H3,(H,27,28,32)
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n/an/a 15n/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))
BDBM183187
PNG
(US9150546, I-351 | US9688643, I-351 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CCO)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl
Show InChI InChI=1S/C21H22Cl2N4O4/c1-13(2)31-18-8-7-16(11-17(18)23)24-19-25-20(29)26(9-10-28)21(30)27(19)12-14-3-5-15(22)6-4-14/h3-8,11,13,28H,9-10,12H2,1-2H3,(H,24,25,29)
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n/an/a 15n/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))
BDBM183233
PNG
(US9150546, I-403 | US9688643, I-403 | US9718790, I...)
Show SMILES COC(=O)C(C)(C)Cn1c(=O)[nH]\c(=N/c2ccc(OC(C)C)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C25H28ClFN4O5/c1-15(2)36-20-11-10-18(12-19(20)27)28-22-29-23(33)31(14-25(3,4)21(32)35-5)24(34)30(22)13-16-6-8-17(26)9-7-16/h6-12,15H,13-14H2,1-5H3,(H,28,29,33)
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n/an/a 15n/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))
BDBM183343
PNG
(US9150546, I-517 | US9688643, I-517 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(cc1F)\N=c1/[nH]c(=O)n(C[C@H](C)C(O)=O)c(=O)n1Cc1ccc(C)cc1 |r|
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n/an/a 15n/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))
BDBM183364
PNG
(US9150546, I-538 | US9688643, I-538 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(cc1C)\N=c1/[nH]c(=O)n(C[C@H](C)C(O)=O)c(=O)n1Cc1ccc(Cl)cc1 |r|
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n/an/a 16n/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))
BDBM183254
PNG
(US9150546, I-425 | US9688643, I-425 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(cc1Cl)\N=c1/[nH]c(=O)n(CC2(CC2)C(O)=O)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C24H24Cl2N4O5/c1-14(2)35-19-8-7-17(11-18(19)26)27-21-28-22(33)30(13-24(9-10-24)20(31)32)23(34)29(21)12-15-3-5-16(25)6-4-15/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,31,32)(H,27,28,33)
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n/an/a 16n/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))
BDBM183182
PNG
(US9150546, I-346 | US9688643, I-346 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CC=C)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C22H22ClFN4O3/c1-4-11-27-21(29)26-20(25-17-9-10-19(18(24)12-17)31-14(2)3)28(22(27)30)13-15-5-7-16(23)8-6-15/h4-10,12,14H,1,11,13H2,2-3H3,(H,25,26,29)
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n/an/a 16n/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))
BDBM183291
PNG
(US9150546, I-460 | US9688643, I-460 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(cc1Cl)\N=c1/[nH]c(=O)n(C[C@@H](C)C(O)=O)c(=O)n1Cc1ccc(Cl)cc1 |r|
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n/an/a 16n/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))
BDBM183282
PNG
(US9150546, I-451 | US9688643, I-451 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(cc1F)\N=c1/[nH]c(=O)n(Cc2cccc(c2)C(O)=O)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C27H24ClFN4O5/c1-16(2)38-23-11-10-21(13-22(23)29)30-25-31-26(36)33(15-18-4-3-5-19(12-18)24(34)35)27(37)32(25)14-17-6-8-20(28)9-7-17/h3-13,16H,14-15H2,1-2H3,(H,34,35)(H,30,31,36)
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n/an/a 16n/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))
BDBM183276
PNG
(US9150546, I-444 | US9688643, I-444 | US9718790, I...)
Show SMILES COC(=O)c1ccc(Cn2c(=O)[nH]\c(=N/c3ccc(OC(C)C)c(F)c3)n(Cc3ccc(Cl)cc3)c2=O)cc1
Show InChI InChI=1S/C28H26ClFN4O5/c1-17(2)39-24-13-12-22(14-23(24)30)31-26-32-27(36)34(16-18-4-8-20(9-5-18)25(35)38-3)28(37)33(26)15-19-6-10-21(29)11-7-19/h4-14,17H,15-16H2,1-3H3,(H,31,32,36)
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n/an/a 17n/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))
BDBM183360
PNG
(US9150546, I-534 | US9688643, I-534 | US9718790, I...)
Show SMILES COC(=O)[C@@H](C)Cn1c(=O)[nH]\c(=N/c2ccc3oc(C)cc3c2)n(Cc2ccc(Cl)cc2)c1=O |r|
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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))
BDBM183201
PNG
(US9150546, I-365 | US9688643, I-365 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CCCCO)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C23H26ClFN4O4/c1-15(2)33-20-10-9-18(13-19(20)25)26-21-27-22(31)28(11-3-4-12-30)23(32)29(21)14-16-5-7-17(24)8-6-16/h5-10,13,15,30H,3-4,11-12,14H2,1-2H3,(H,26,27,31)
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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))
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))
BDBM183271
PNG
(US9150546, I-439 | US9688643, I-439 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(cc1F)\N=c1/[nH]c(=O)n(CCC(=O)NCC#N)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C24H24ClFN6O4/c1-15(2)36-20-8-7-18(13-19(20)26)29-22-30-23(34)31(12-9-21(33)28-11-10-27)24(35)32(22)14-16-3-5-17(25)6-4-16/h3-8,13,15H,9,11-12,14H2,1-2H3,(H,28,33)(H,29,30,34)
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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))
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))
BDBM183375
PNG
(US9150546, I-549 | US9688643, I-549 | US9718790, I...)
Show SMILES COC(=O)C(C)(C)Cn1c(=O)[nH]\c(=N/c2ccc(OC(C)C)c(Cl)c2)n(CC2CCCCCC2)c1=O
Show InChI InChI=1S/C26H37ClN4O5/c1-17(2)36-21-13-12-19(14-20(21)27)28-23-29-24(33)31(16-26(3,4)22(32)35-5)25(34)30(23)15-18-10-8-6-7-9-11-18/h12-14,17-18H,6-11,15-16H2,1-5H3,(H,28,29,33)
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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))
BDBM183130
PNG
(US9150546, I-283 | US9688643, I-283 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CC(F)(F)C(O)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C22H20ClF3N4O5/c1-12(2)35-17-8-7-15(9-16(17)24)27-19-28-20(33)30(11-22(25,26)18(31)32)21(34)29(19)10-13-3-5-14(23)6-4-13/h3-9,12H,10-11H2,1-2H3,(H,31,32)(H,27,28,33)
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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))
BDBM183227
PNG
(US9150546, I-397 | US9688643, I-397 | US9718790, I...)
Show SMILES COC(=O)CNC(=O)Cn1c(=O)[nH]\c(=N/c2ccc(OC(C)C)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C24H25ClFN5O6/c1-14(2)37-19-9-8-17(10-18(19)26)28-22-29-23(34)31(13-20(32)27-11-21(33)36-3)24(35)30(22)12-15-4-6-16(25)7-5-15/h4-10,14H,11-13H2,1-3H3,(H,27,32)(H,28,29,34)
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n/an/a 19n/an/an/an/a7.537



SHIONOGI & CO., LTD.

US Patent


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


US Patent US9150546 (2015)


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


(Homo sapiens (Human))
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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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))
BDBM183383
PNG
(US9150546, I-557 | US9688643, I-557 | US9718790, I...)
Show SMILES COC(=O)C[C@@H](C)n1c(=O)[nH]\c(=N/c2ccc(OC(C)C)c(C)c2)n(Cc2ccc(Cl)cc2)c1=O |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))
BDBM183332
PNG
(US9150546, I-502 | US9688643, I-502 | US9718790, I...)
Show SMILES CCOC(=O)CCCn1c(=O)[nH]\c(=N/c2ccc(OC(C)C)c(C)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C26H31ClN4O5/c1-5-35-23(32)7-6-14-30-25(33)29-24(28-21-12-13-22(18(4)15-21)36-17(2)3)31(26(30)34)16-19-8-10-20(27)11-9-19/h8-13,15,17H,5-7,14,16H2,1-4H3,(H,28,29,33)
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n/an/a 20n/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))
BDBM183191
PNG
(US9150546, I-355 | US9688643, I-355 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CCC(O)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl
Show InChI InChI=1S/C22H22Cl2N4O5/c1-13(2)33-18-8-7-16(11-17(18)24)25-20-26-21(31)27(10-9-19(29)30)22(32)28(20)12-14-3-5-15(23)6-4-14/h3-8,11,13H,9-10,12H2,1-2H3,(H,29,30)(H,25,26,31)
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n/an/a 20n/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))
BDBM183278
PNG
(US9150546, I-446 | US9688643, I-446 | US9718790, I...)
Show SMILES CCOc1ccc(cc1Cl)\N=c1/[nH]c(=O)n(CC(C)(C)C(O)=O)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C23H24Cl2N4O5/c1-4-34-18-10-9-16(11-17(18)25)26-20-27-21(32)29(13-23(2,3)19(30)31)22(33)28(20)12-14-5-7-15(24)8-6-14/h5-11H,4,12-13H2,1-3H3,(H,30,31)(H,26,27,32)
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n/an/a 20n/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))
BDBM183180
PNG
(US9150546, I-343 | US9688643, I-343 | US9718790, I...)
Show SMILES COc1ccc(Cn2c(=O)nc(Nc3ccc(OC(C)C)c(F)c3)n(Cc3ccc(Cl)cc3)c2=O)cc1
Show InChI InChI=1S/C27H26ClFN4O4/c1-17(2)37-24-13-10-21(14-23(24)29)30-25-31-26(34)33(16-19-6-11-22(36-3)12-7-19)27(35)32(25)15-18-4-8-20(28)9-5-18/h4-14,17H,15-16H2,1-3H3,(H,30,31,34)
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n/an/a 21n/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))
BDBM183123
PNG
(US9150546, I-275 | US9688643, I-275 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CC3CCOCC3)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C25H28ClFN4O4/c1-16(2)35-22-8-7-20(13-21(22)27)28-23-29-24(32)31(15-18-9-11-34-12-10-18)25(33)30(23)14-17-3-5-19(26)6-4-17/h3-8,13,16,18H,9-12,14-15H2,1-2H3,(H,28,29,32)
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n/an/a 21n/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))
BDBM183355
PNG
(US9150546, I-529 | US9688643, I-529 | US9718790, I...)
Show SMILES COC(=O)[C@@H](C)Cn1c(=O)nc(Nc2ccc(OC(C)C)cc2)n(Cc2ccc(Cl)cc2)c1=O |r|
Show InChI InChI=1S/C24H27ClN4O5/c1-15(2)34-20-11-9-19(10-12-20)26-22-27-23(31)29(13-16(3)21(30)33-4)24(32)28(22)14-17-5-7-18(25)8-6-17/h5-12,15-16H,13-14H2,1-4H3,(H,26,27,31)/t16-/m0/s1
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n/an/a 22n/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))
BDBM183378
PNG
(US9150546, I-552 | US9688643, I-552 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(cc1Cl)\N=c1/[nH]c(=O)n(C[C@H](C)C(O)=O)c(=O)n1CC1CCCCC1 |r|
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n/an/a 23n/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))
BDBM183302
PNG
(US9150546, I-471 | US9688643, I-471 | US9718790, I...)
Show SMILES COC(=O)C(C)(C)Cn1c(=O)[nH]\c(=N/c2cccc(c2)C(F)(F)F)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C23H22ClF3N4O4/c1-22(2,18(32)35-3)13-31-20(33)29-19(28-17-6-4-5-15(11-17)23(25,26)27)30(21(31)34)12-14-7-9-16(24)10-8-14/h4-11H,12-13H2,1-3H3,(H,28,29,33)
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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))
BDBM183285
PNG
(US9150546, I-454 | US9688643, I-454 | US9718790, I...)
Show SMILES CCOC(=O)c1ccccc1Cn1c(=O)[nH]\c(=N/c2ccc(OC(C)C)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C29H28ClFN4O5/c1-4-39-26(36)23-8-6-5-7-20(23)17-35-28(37)33-27(32-22-13-14-25(24(31)15-22)40-18(2)3)34(29(35)38)16-19-9-11-21(30)12-10-19/h5-15,18H,4,16-17H2,1-3H3,(H,32,33,37)
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n/an/a 24n/an/an/an/a7.537



SHIONOGI & CO., LTD.

US Patent


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


US Patent US9150546 (2015)


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


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



SHIONOGI & CO., LTD.

US Patent


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


US Patent US9150546 (2015)


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


(Homo sapiens (Human))
BDBM183259
PNG
(US9150546, I-432 | US9688643, I-432 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(cc1C)\N=c1/[nH]c(=O)n(CC(C)(C)C(O)=O)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C25H29ClN4O5/c1-15(2)35-20-11-10-19(12-16(20)3)27-22-28-23(33)30(14-25(4,5)21(31)32)24(34)29(22)13-17-6-8-18(26)9-7-17/h6-12,15H,13-14H2,1-5H3,(H,31,32)(H,27,28,33)
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n/an/a 26n/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))
BDBM183317
PNG
(US9150546, I-487 | US9688643, I-487 | US9718790, I...)
Show SMILES CCOc1ccc(cc1Cl)\N=c1/[nH]c(=O)n(C[C@@H](C)C(O)=O)c(=O)n1Cc1ccc(Cl)cc1 |r|
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n/an/a 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))
BDBM183321
PNG
(US9150546, I-491 | US9688643, I-491 | US9718790, I...)
Show SMILES Cc1cc2cc(ccc2o1)\N=c1/[nH]c(=O)n(CC(C)(C)C(O)=O)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C24H23ClN4O5/c1-14-10-16-11-18(8-9-19(16)34-14)26-21-27-22(32)29(13-24(2,3)20(30)31)23(33)28(21)12-15-4-6-17(25)7-5-15/h4-11H,12-13H2,1-3H3,(H,30,31)(H,26,27,32)
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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))
BDBM183366
PNG
(US9150546, I-540 | US9688643, I-540 | US9718790, I...)
Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc3oc(C)cc3c2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r|
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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))
BDBM183145
PNG
(US9150546, I-298 | US9688643, I-298 | US9718790, I...)
Show SMILES CNC(=O)CCn1c(=O)nc(Nc2ccc(OC(C)C)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C23H25ClFN5O4/c1-14(2)34-19-9-8-17(12-18(19)25)27-21-28-22(32)29(11-10-20(31)26-3)23(33)30(21)13-15-4-6-16(24)7-5-15/h4-9,12,14H,10-11,13H2,1-3H3,(H,26,31)(H,27,28,32)
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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))
BDBM183237
PNG
(US9150546, I-407 | US9688643, I-407 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(cc1Cl)\N=c1/[nH]c(=O)n(CCC(C)(C)C(=O)OCc2ccccc2)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C32H34Cl2N4O5/c1-21(2)43-27-15-14-25(18-26(27)34)35-29-36-30(40)37(31(41)38(29)19-22-10-12-24(33)13-11-22)17-16-32(3,4)28(39)42-20-23-8-6-5-7-9-23/h5-15,18,21H,16-17,19-20H2,1-4H3,(H,35,36,40)
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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))
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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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))
BDBM183388
PNG
(US9150546, I-562 | US9688643, I-562 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(cc1F)\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 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
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