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Compile Data Set for Download or QSAR

Found 558 hits of ph data with Target = 'p2x3'   
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
p2x3


(Homo sapiens (human))
BDBM271500
PNG
(US10065941, Compound I-001)
Show SMILES COC(=O)[C@H](C)[C@H](C)n1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(F)cn3)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C27H24ClF2N5O5/c1-15(24(36)39-3)16(2)35-26(37)33-25(34(27(35)38)14-17-4-6-18(28)7-5-17)32-20-9-10-22(21(30)12-20)40-23-11-8-19(29)13-31-23/h4-13,15-16H,14H2,1-3H3,(H,32,33,37)/t15-,16+/m1/s1
PDB

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n/an/a 44n/an/an/an/a7.5n/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 US10065941 (2018)

More data for this
Ligand-Target Pair
p2x3


(Homo sapiens (human))
BDBM271501
PNG
(US10065941, Compound I-002)
Show SMILES C[C@H]([C@H](C)n1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(F)cn3)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O
Show InChI InChI=1S/C26H22ClF2N5O5/c1-14(23(35)36)15(2)34-25(37)32-24(33(26(34)38)13-16-3-5-17(27)6-4-16)31-19-8-9-21(20(29)11-19)39-22-10-7-18(28)12-30-22/h3-12,14-15H,13H2,1-2H3,(H,35,36)(H,31,32,37)/t14-,15+/m1/s1
PDB

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n/an/a 5n/an/an/an/a7.5n/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 US10065941 (2018)

More data for this
Ligand-Target Pair
p2x3


(Homo sapiens (human))
BDBM271502
PNG
(US10065941, Compound I-003)
Show SMILES COC(=O)C(C)(C)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(F)cn3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C27H25ClFN5O5/c1-27(2,23(35)38-3)16-34-25(36)32-24(33(26(34)37)15-17-4-6-18(28)7-5-17)31-20-9-11-21(12-10-20)39-22-13-8-19(29)14-30-22/h4-14H,15-16H2,1-3H3,(H,31,32,36)
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 US10065941 (2018)

More data for this
Ligand-Target Pair
p2x3


(Homo sapiens (human))
BDBM271503
PNG
(US10065941, Compound I-004)
Show SMILES COC(=O)C(C)(C)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(Cl)cn3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C27H25Cl2N5O5/c1-27(2,23(35)38-3)16-34-25(36)32-24(33(26(34)37)15-17-4-6-18(28)7-5-17)31-20-9-11-21(12-10-20)39-22-13-8-19(29)14-30-22/h4-14H,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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...


US Patent US10065941 (2018)

More data for this
Ligand-Target Pair
p2x3


(Homo sapiens (human))
BDBM271504
PNG
(US10065941, Compound I-005)
Show SMILES CC(C)(Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(F)cn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O
Show InChI InChI=1S/C26H23ClFN5O5/c1-26(2,22(34)35)15-33-24(36)31-23(32(25(33)37)14-16-3-5-17(27)6-4-16)30-19-8-10-20(11-9-19)38-21-12-7-18(28)13-29-21/h3-13H,14-15H2,1-2H3,(H,34,35)(H,30,31,36)
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 US10065941 (2018)

More data for this
Ligand-Target Pair
p2x3


(Homo sapiens (human))
BDBM271505
PNG
(US10065941, Compound I-006)
Show SMILES CC(C)(Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(Cl)cn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O
Show InChI InChI=1S/C26H23Cl2N5O5/c1-26(2,22(34)35)15-33-24(36)31-23(32(25(33)37)14-16-3-5-17(27)6-4-16)30-19-8-10-20(11-9-19)38-21-12-7-18(28)13-29-21/h3-13H,14-15H2,1-2H3,(H,34,35)(H,30,31,36)
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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 US10065941 (2018)

More data for this
Ligand-Target Pair
p2x3


(Homo sapiens (human))
BDBM271506
PNG
(US10065941, Compound I-007)
Show SMILES COC(=O)C(C)(C)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ncccc3F)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C27H25ClFN5O5/c1-27(2,23(35)38-3)16-34-25(36)32-24(33(26(34)37)15-17-6-8-18(28)9-7-17)31-19-10-12-20(13-11-19)39-22-21(29)5-4-14-30-22/h4-14H,15-16H2,1-3H3,(H,31,32,36)
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 US10065941 (2018)

More data for this
Ligand-Target Pair
p2x3


(Homo sapiens (human))
BDBM271507
PNG
(US10065941, Compound I-008)
Show SMILES COC(=O)C(C)(C)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3cccc(F)n3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C27H25ClFN5O5/c1-27(2,23(35)38-3)16-34-25(36)32-24(33(26(34)37)15-17-7-9-18(28)10-8-17)30-19-11-13-20(14-12-19)39-22-6-4-5-21(29)31-22/h4-14H,15-16H2,1-3H3,(H,30,32,36)
PDB

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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 US10065941 (2018)

More data for this
Ligand-Target Pair
p2x3


(Homo sapiens (human))
BDBM271508
PNG
(US10065941, Compound I-009)
Show SMILES CC(C)(Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ncccc3F)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O
Show InChI InChI=1S/C26H23ClFN5O5/c1-26(2,22(34)35)15-33-24(36)31-23(32(25(33)37)14-16-5-7-17(27)8-6-16)30-18-9-11-19(12-10-18)38-21-20(28)4-3-13-29-21/h3-13H,14-15H2,1-2H3,(H,34,35)(H,30,31,36)
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 US10065941 (2018)

More data for this
Ligand-Target Pair
p2x3


(Homo sapiens (human))
BDBM271509
PNG
(US10065941, Compound I-010)
Show SMILES CC(C)(Cn1c(=O)[nH]\c(=N/c2ccc(Oc3cccc(F)n3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O
Show InChI InChI=1S/C26H23ClFN5O5/c1-26(2,22(34)35)15-33-24(36)31-23(32(25(33)37)14-16-6-8-17(27)9-7-16)29-18-10-12-19(13-11-18)38-21-5-3-4-20(28)30-21/h3-13H,14-15H2,1-2H3,(H,34,35)(H,29,31,36)
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 US10065941 (2018)

More data for this
Ligand-Target Pair
p2x3


(Homo sapiens (human))
BDBM271510
PNG
(US10065941, Compound I-011)
Show SMILES COC(=O)[C@@H](C)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3cccc(Cl)n3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C26H23Cl2N5O5/c1-16(23(34)37-2)14-33-25(35)31-24(32(26(33)36)15-17-6-8-18(27)9-7-17)29-19-10-12-20(13-11-19)38-22-5-3-4-21(28)30-22/h3-13,16H,14-15H2,1-2H3,(H,29,31,35)/t16-/m0/s1
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 US10065941 (2018)

More data for this
Ligand-Target Pair
p2x3


(Homo sapiens (human))
BDBM271511
PNG
(US10065941, Compound I-012)
Show SMILES COC(=O)C(C)(C)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3cccc(Cl)n3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C27H25Cl2N5O5/c1-27(2,23(35)38-3)16-34-25(36)32-24(33(26(34)37)15-17-7-9-18(28)10-8-17)30-19-11-13-20(14-12-19)39-22-6-4-5-21(29)31-22/h4-14H,15-16H2,1-3H3,(H,30,32,36)
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 US10065941 (2018)

More data for this
Ligand-Target Pair
p2x3


(Homo sapiens (human))
BDBM271512
PNG
(US10065941, Compound I-013)
Show SMILES COC(=O)[C@H](C)[C@H](C)n1c(=O)[nH]\c(=N/c2ccc(Oc3cccc(Cl)n3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C27H25Cl2N5O5/c1-16(24(35)38-3)17(2)34-26(36)32-25(33(27(34)37)15-18-7-9-19(28)10-8-18)30-20-11-13-21(14-12-20)39-23-6-4-5-22(29)31-23/h4-14,16-17H,15H2,1-3H3,(H,30,32,36)/t16-,17+/m1/s1
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 US10065941 (2018)

More data for this
Ligand-Target Pair
p2x3


(Homo sapiens (human))
BDBM271513
PNG
(US10065941, Compound I-014)
Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3cccc(Cl)n3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O
Show InChI InChI=1S/C25H21Cl2N5O5/c1-15(22(33)34)13-32-24(35)30-23(31(25(32)36)14-16-5-7-17(26)8-6-16)28-18-9-11-19(12-10-18)37-21-4-2-3-20(27)29-21/h2-12,15H,13-14H2,1H3,(H,33,34)(H,28,30,35)/t15-/m0/s1
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 US10065941 (2018)

More data for this
Ligand-Target Pair
p2x3


(Homo sapiens (human))
BDBM271514
PNG
(US10065941, Compound I-015)
Show SMILES CC(C)(Cn1c(=O)[nH]\c(=N/c2ccc(Oc3cccc(Cl)n3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O
Show InChI InChI=1S/C26H23Cl2N5O5/c1-26(2,22(34)35)15-33-24(36)31-23(32(25(33)37)14-16-6-8-17(27)9-7-16)29-18-10-12-19(13-11-18)38-21-5-3-4-20(28)30-21/h3-13H,14-15H2,1-2H3,(H,34,35)(H,29,31,36)
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 US10065941 (2018)

More data for this
Ligand-Target Pair
p2x3


(Homo sapiens (human))
BDBM271515
PNG
(US10065941, Compound I-016)
Show SMILES C[C@H]([C@H](C)n1c(=O)[nH]\c(=N/c2ccc(Oc3cccc(Cl)n3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O
Show InChI InChI=1S/C26H23Cl2N5O5/c1-15(23(34)35)16(2)33-25(36)31-24(32(26(33)37)14-17-6-8-18(27)9-7-17)29-19-10-12-20(13-11-19)38-22-5-3-4-21(28)30-22/h3-13,15-16H,14H2,1-2H3,(H,34,35)(H,29,31,36)/t15-,16+/m1/s1
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 US10065941 (2018)

More data for this
Ligand-Target Pair
p2x3


(Homo sapiens (human))
BDBM271516
PNG
(US10065941, Compound I-017)
Show SMILES OC(=O)C1(Cn2c(=O)[nH]\c(=N/c3ccc(Oc4cccc(F)n4)cc3)n(Cc3ccc(Cl)cc3)c2=O)CC1
Show InChI InChI=1S/C26H21ClFN5O5/c27-17-6-4-16(5-7-17)14-32-23(31-24(36)33(25(32)37)15-26(12-13-26)22(34)35)29-18-8-10-19(11-9-18)38-21-3-1-2-20(28)30-21/h1-11H,12-15H2,(H,34,35)(H,29,31,36)
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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 US10065941 (2018)

More data for this
Ligand-Target Pair
p2x3


(Homo sapiens (human))
BDBM271517
PNG
(US10065941, Compound I-018)
Show SMILES OC(=O)C1(Cn2c(=O)[nH]\c(=N/c3ccc(Oc4ccc(F)cn4)cc3)n(Cc3ccc(Cl)cc3)c2=O)CC1
Show InChI InChI=1S/C26H21ClFN5O5/c27-17-3-1-16(2-4-17)14-32-23(31-24(36)33(25(32)37)15-26(11-12-26)22(34)35)30-19-6-8-20(9-7-19)38-21-10-5-18(28)13-29-21/h1-10,13H,11-12,14-15H2,(H,34,35)(H,30,31,36)
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 US10065941 (2018)

More data for this
Ligand-Target Pair
p2x3


(Homo sapiens (human))
BDBM271518
PNG
(US10065941, Compound I-019)
Show SMILES OC(=O)[C@H]1C[C@@H](C1)n1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(F)cn3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C26H21ClFN5O5/c27-17-3-1-15(2-4-17)14-32-24(31-25(36)33(26(32)37)20-11-16(12-20)23(34)35)30-19-6-8-21(9-7-19)38-22-10-5-18(28)13-29-22/h1-10,13,16,20H,11-12,14H2,(H,34,35)(H,30,31,36)/t16-,20-
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 US10065941 (2018)

More data for this
Ligand-Target Pair
p2x3


(Homo sapiens (human))
BDBM271519
PNG
(US10065941, Compound I-020)
Show SMILES OC(=O)[C@H]1C[C@H](C1)n1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(F)cn3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C26H21ClFN5O5/c27-17-3-1-15(2-4-17)14-32-24(31-25(36)33(26(32)37)20-11-16(12-20)23(34)35)30-19-6-8-21(9-7-19)38-22-10-5-18(28)13-29-22/h1-10,13,16,20H,11-12,14H2,(H,34,35)(H,30,31,36)/t16-,20+
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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 US10065941 (2018)

More data for this
Ligand-Target Pair
p2x3


(Homo sapiens (human))
BDBM271520
PNG
(US10065941, Compound I-021)
Show SMILES COC(=O)C(C)(C)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(OC(F)F)cn3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C28H26ClF2N5O6/c1-28(2,23(37)40-3)16-36-26(38)34-25(35(27(36)39)15-17-4-6-18(29)7-5-17)33-19-8-10-20(11-9-19)41-22-13-12-21(14-32-22)42-24(30)31/h4-14,24H,15-16H2,1-3H3,(H,33,34,38)
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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 US10065941 (2018)

More data for this
Ligand-Target Pair
p2x3


(Homo sapiens (human))
BDBM271521
PNG
(US10065941, Compound I-022)
Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(OC(F)F)cn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O
Show InChI InChI=1S/C26H22ClF2N5O6/c1-15(22(35)36)13-34-25(37)32-24(33(26(34)38)14-16-2-4-17(27)5-3-16)31-18-6-8-19(9-7-18)39-21-11-10-20(12-30-21)40-23(28)29/h2-12,15,23H,13-14H2,1H3,(H,35,36)(H,31,32,37)/t15-/m0/s1
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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 US10065941 (2018)

More data for this
Ligand-Target Pair
p2x3


(Homo sapiens (human))
BDBM271522
PNG
(US10065941, Compound I-023)
Show SMILES CC(C)(Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(OC(F)F)cn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O
Show InChI InChI=1S/C27H24ClF2N5O6/c1-27(2,22(36)37)15-35-25(38)33-24(34(26(35)39)14-16-3-5-17(28)6-4-16)32-18-7-9-19(10-8-18)40-21-12-11-20(13-31-21)41-23(29)30/h3-13,23H,14-15H2,1-2H3,(H,36,37)(H,32,33,38)
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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 US10065941 (2018)

More data for this
Ligand-Target Pair
p2x3


(Homo sapiens (human))
BDBM271523
PNG
(US10065941, Compound I-024)
Show SMILES COC(=O)[C@@H](C)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ncccc3F)cc2)n(Cc2ccc(F)cc2F)c1=O
Show InChI InChI=1S/C26H22F3N5O5/c1-15(23(35)38-2)13-34-25(36)32-24(33(26(34)37)14-16-5-6-17(27)12-21(16)29)31-18-7-9-19(10-8-18)39-22-20(28)4-3-11-30-22/h3-12,15H,13-14H2,1-2H3,(H,31,32,36)/t15-/m0/s1
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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 US10065941 (2018)

More data for this
Ligand-Target Pair
p2x3


(Homo sapiens (human))
BDBM271524
PNG
(US10065941, Compound I-025)
Show SMILES COC(=O)[C@@H](C)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(F)cn3)cc2)n(Cc2ccc(F)cc2F)c1=O
Show InChI InChI=1S/C26H22F3N5O5/c1-15(23(35)38-2)13-34-25(36)32-24(33(26(34)37)14-16-3-4-17(27)11-21(16)29)31-19-6-8-20(9-7-19)39-22-10-5-18(28)12-30-22/h3-12,15H,13-14H2,1-2H3,(H,31,32,36)/t15-/m0/s1
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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 US10065941 (2018)

More data for this
Ligand-Target Pair
p2x3


(Homo sapiens (human))
BDBM271525
PNG
(US10065941, Compound I-026)
Show SMILES COC(=O)[C@@H](C)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3cccc(F)n3)cc2)n(Cc2ccc(F)cc2F)c1=O
Show InChI InChI=1S/C26H22F3N5O5/c1-15(23(35)38-2)13-34-25(36)32-24(33(26(34)37)14-16-6-7-17(27)12-20(16)28)30-18-8-10-19(11-9-18)39-22-5-3-4-21(29)31-22/h3-12,15H,13-14H2,1-2H3,(H,30,32,36)/t15-/m0/s1
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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 US10065941 (2018)

More data for this
Ligand-Target Pair
p2x3


(Homo sapiens (human))
BDBM271526
PNG
(US10065941, Compound I-027)
Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ncccc3F)cc2)n(Cc2ccc(F)cc2F)c1=O)C(O)=O
Show InChI InChI=1S/C25H20F3N5O5/c1-14(22(34)35)12-33-24(36)31-23(32(25(33)37)13-15-4-5-16(26)11-20(15)28)30-17-6-8-18(9-7-17)38-21-19(27)3-2-10-29-21/h2-11,14H,12-13H2,1H3,(H,34,35)(H,30,31,36)/t14-/m0/s1
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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 US10065941 (2018)

More data for this
Ligand-Target Pair
p2x3


(Homo sapiens (human))
BDBM271527
PNG
(US10065941, Compound I-028)
Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(F)cn3)cc2)n(Cc2ccc(F)cc2F)c1=O)C(O)=O
Show InChI InChI=1S/C25H20F3N5O5/c1-14(22(34)35)12-33-24(36)31-23(32(25(33)37)13-15-2-3-16(26)10-20(15)28)30-18-5-7-19(8-6-18)38-21-9-4-17(27)11-29-21/h2-11,14H,12-13H2,1H3,(H,34,35)(H,30,31,36)/t14-/m0/s1
PDB

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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 US10065941 (2018)

More data for this
Ligand-Target Pair
p2x3


(Homo sapiens (human))
BDBM271528
PNG
(US10065941, Compound I-029)
Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3cccc(F)n3)cc2)n(Cc2ccc(F)cc2F)c1=O)C(O)=O
Show InChI InChI=1S/C25H20F3N5O5/c1-14(22(34)35)12-33-24(36)31-23(32(25(33)37)13-15-5-6-16(26)11-19(15)27)29-17-7-9-18(10-8-17)38-21-4-2-3-20(28)30-21/h2-11,14H,12-13H2,1H3,(H,34,35)(H,29,31,36)/t14-/m0/s1
PDB

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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 US10065941 (2018)

More data for this
Ligand-Target Pair
p2x3


(Homo sapiens (human))
BDBM271529
PNG
(US10065941, Compound I-030)
Show SMILES COC(=O)[C@@H](C)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ncccc3C(F)(F)F)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C27H23ClF3N5O5/c1-16(23(37)40-2)14-36-25(38)34-24(35(26(36)39)15-17-5-7-18(28)8-6-17)33-19-9-11-20(12-10-19)41-22-21(27(29,30)31)4-3-13-32-22/h3-13,16H,14-15H2,1-2H3,(H,33,34,38)/t16-/m0/s1
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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 US10065941 (2018)

More data for this
Ligand-Target Pair
p2x3


(Homo sapiens (human))
BDBM271530
PNG
(US10065941, Compound I-031)
Show SMILES COC(=O)C(C)(C)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ncccc3C(F)(F)F)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C28H25ClF3N5O5/c1-27(2,23(38)41-3)16-37-25(39)35-24(36(26(37)40)15-17-6-8-18(29)9-7-17)34-19-10-12-20(13-11-19)42-22-21(28(30,31)32)5-4-14-33-22/h4-14H,15-16H2,1-3H3,(H,34,35,39)
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 US10065941 (2018)

More data for this
Ligand-Target Pair
p2x3


(Homo sapiens (human))
BDBM271531
PNG
(US10065941, Compound I-032)
Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ncccc3C(F)(F)F)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O
Show InChI InChI=1S/C26H21ClF3N5O5/c1-15(22(36)37)13-35-24(38)33-23(34(25(35)39)14-16-4-6-17(27)7-5-16)32-18-8-10-19(11-9-18)40-21-20(26(28,29)30)3-2-12-31-21/h2-12,15H,13-14H2,1H3,(H,36,37)(H,32,33,38)/t15-/m0/s1
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 US10065941 (2018)

More data for this
Ligand-Target Pair
p2x3


(Homo sapiens (human))
BDBM271532
PNG
(US10065941, Compound I-033)
Show SMILES CC(C)(Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ncccc3C(F)(F)F)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O
Show InChI InChI=1S/C27H23ClF3N5O5/c1-26(2,22(37)38)15-36-24(39)34-23(35(25(36)40)14-16-5-7-17(28)8-6-16)33-18-9-11-19(12-10-18)41-21-20(27(29,30)31)4-3-13-32-21/h3-13H,14-15H2,1-2H3,(H,37,38)(H,33,34,39)
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 US10065941 (2018)

More data for this
Ligand-Target Pair
p2x3


(Homo sapiens (human))
BDBM271533
PNG
(US10065941, Compound I-034)
Show SMILES COC(=O)[C@@H](C)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(cn3)C(F)(F)F)cc2)n(Cc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C28H26F3N5O5/c1-17-4-6-19(7-5-17)16-35-25(34-26(38)36(27(35)39)15-18(2)24(37)40-3)33-21-9-11-22(12-10-21)41-23-13-8-20(14-32-23)28(29,30)31/h4-14,18H,15-16H2,1-3H3,(H,33,34,38)/t18-/m0/s1
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 US10065941 (2018)

More data for this
Ligand-Target Pair
p2x3


(Homo sapiens (human))
BDBM271534
PNG
(US10065941, Compound I-035)
Show SMILES COC(=O)[C@@H](C)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3cccc(n3)C(F)(F)F)cc2)n(Cc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C28H26F3N5O5/c1-17-7-9-19(10-8-17)16-35-25(34-26(38)36(27(35)39)15-18(2)24(37)40-3)32-20-11-13-21(14-12-20)41-23-6-4-5-22(33-23)28(29,30)31/h4-14,18H,15-16H2,1-3H3,(H,32,34,38)/t18-/m0/s1
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 US10065941 (2018)

More data for this
Ligand-Target Pair
p2x3


(Homo sapiens (human))
BDBM271535
PNG
(US10065941, Compound I-036 | US10065941, Compound ...)
Show SMILES COC(=O)[C@@H](C)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(F)cn3)cc2)n(Cc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C27H26FN5O5/c1-17-4-6-19(7-5-17)16-32-25(31-26(35)33(27(32)36)15-18(2)24(34)37-3)30-21-9-11-22(12-10-21)38-23-13-8-20(28)14-29-23/h4-14,18H,15-16H2,1-3H3,(H,30,31,35)/t18-/m0/s1
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 US10065941 (2018)

More data for this
Ligand-Target Pair
p2x3


(Homo sapiens (human))
BDBM271536
PNG
(US10065941, Compound I-037)
Show SMILES COC(=O)C(C)(C)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(F)cn3)cc2)n(Cc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C28H28FN5O5/c1-18-5-7-19(8-6-18)16-33-25(32-26(36)34(27(33)37)17-28(2,3)24(35)38-4)31-21-10-12-22(13-11-21)39-23-14-9-20(29)15-30-23/h5-15H,16-17H2,1-4H3,(H,31,32,36)
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 US10065941 (2018)

More data for this
Ligand-Target Pair
p2x3


(Homo sapiens (human))
BDBM271537
PNG
(US10065941, Compound I-038)
Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(cn3)C(F)(F)F)cc2)n(Cc2ccc(C)cc2)c1=O)C(O)=O
Show InChI InChI=1S/C27H24F3N5O5/c1-16-3-5-18(6-4-16)15-34-24(33-25(38)35(26(34)39)14-17(2)23(36)37)32-20-8-10-21(11-9-20)40-22-12-7-19(13-31-22)27(28,29)30/h3-13,17H,14-15H2,1-2H3,(H,36,37)(H,32,33,38)/t17-/m0/s1
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 US10065941 (2018)

More data for this
Ligand-Target Pair
p2x3


(Homo sapiens (human))
BDBM271538
PNG
(US10065941, Compound I-039)
Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3cccc(n3)C(F)(F)F)cc2)n(Cc2ccc(C)cc2)c1=O)C(O)=O
Show InChI InChI=1S/C27H24F3N5O5/c1-16-6-8-18(9-7-16)15-34-24(33-25(38)35(26(34)39)14-17(2)23(36)37)31-19-10-12-20(13-11-19)40-22-5-3-4-21(32-22)27(28,29)30/h3-13,17H,14-15H2,1-2H3,(H,36,37)(H,31,33,38)/t17-/m0/s1
PDB

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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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...


US Patent US10065941 (2018)

More data for this
Ligand-Target Pair
p2x3


(Homo sapiens (human))
BDBM271539
PNG
(US10065941, Compound I-040 | US10065941, Compound ...)
Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(F)cn3)cc2)n(Cc2ccc(C)cc2)c1=O)C(O)=O
Show InChI InChI=1S/C26H24FN5O5/c1-16-3-5-18(6-4-16)15-31-24(30-25(35)32(26(31)36)14-17(2)23(33)34)29-20-8-10-21(11-9-20)37-22-12-7-19(27)13-28-22/h3-13,17H,14-15H2,1-2H3,(H,33,34)(H,29,30,35)/t17-/m0/s1
PDB

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n/an/a 6n/an/an/an/a7.5n/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 US10065941 (2018)

More data for this
Ligand-Target Pair
p2x3


(Homo sapiens (human))
BDBM271540
PNG
(US10065941, Compound I-041)
Show SMILES Cc1ccc(Cn2c(=O)n(CC(C)(C)C(O)=O)c(=O)[nH]\c2=N/c2ccc(Oc3ccc(F)cn3)cc2)cc1
Show InChI InChI=1S/C27H26FN5O5/c1-17-4-6-18(7-5-17)15-32-24(31-25(36)33(26(32)37)16-27(2,3)23(34)35)30-20-9-11-21(12-10-20)38-22-13-8-19(28)14-29-22/h4-14H,15-16H2,1-3H3,(H,34,35)(H,30,31,36)
PDB

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n/an/a 9n/an/an/an/a7.5n/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 US10065941 (2018)

More data for this
Ligand-Target Pair
p2x3


(Homo sapiens (human))
BDBM271541
PNG
(US10065941, Compound I-042)
Show SMILES OCC1(Cn2c(=O)[nH]\c(=N/c3ccc(Oc4cccc(F)n4)cc3)n(Cc3ccc(Cl)cc3)c2=O)COC1
Show InChI InChI=1S/C26H23ClFN5O5/c27-18-6-4-17(5-7-18)12-32-23(31-24(35)33(25(32)36)13-26(14-34)15-37-16-26)29-19-8-10-20(11-9-19)38-22-3-1-2-21(28)30-22/h1-11,34H,12-16H2,(H,29,31,35)
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 US10065941 (2018)

More data for this
Ligand-Target Pair
p2x3


(Homo sapiens (human))
BDBM271542
PNG
(US10065941, Compound I-043)
Show SMILES COC(=O)[C@@H](C)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ncccc3OC(F)F)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C27H24ClF2N5O6/c1-16(23(36)39-2)14-35-26(37)33-25(34(27(35)38)15-17-5-7-18(28)8-6-17)32-19-9-11-20(12-10-19)40-22-21(41-24(29)30)4-3-13-31-22/h3-13,16,24H,14-15H2,1-2H3,(H,32,33,37)/t16-/m0/s1
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 US10065941 (2018)

More data for this
Ligand-Target Pair
p2x3


(Homo sapiens (human))
BDBM271543
PNG
(US10065941, Compound I-044)
Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ncccc3OC(F)F)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O
Show InChI InChI=1S/C26H22ClF2N5O6/c1-15(22(35)36)13-34-25(37)32-24(33(26(34)38)14-16-4-6-17(27)7-5-16)31-18-8-10-19(11-9-18)39-21-20(40-23(28)29)3-2-12-30-21/h2-12,15,23H,13-14H2,1H3,(H,35,36)(H,31,32,37)/t15-/m0/s1
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 US10065941 (2018)

More data for this
Ligand-Target Pair
p2x3


(Homo sapiens (human))
BDBM271544
PNG
(US10065941, Compound I-045)
Show SMILES COC(=O)[C@@H](C)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ncccc3C#N)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C27H23ClN6O5/c1-17(24(35)38-2)15-34-26(36)32-25(33(27(34)37)16-18-5-7-20(28)8-6-18)31-21-9-11-22(12-10-21)39-23-19(14-29)4-3-13-30-23/h3-13,17H,15-16H2,1-2H3,(H,31,32,36)/t17-/m0/s1
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 US10065941 (2018)

More data for this
Ligand-Target Pair
p2x3


(Homo sapiens (human))
BDBM271545
PNG
(US10065941, Compound I-046)
Show SMILES COC(=O)C(C)(C)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ncccc3C#N)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C28H25ClN6O5/c1-28(2,24(36)39-3)17-35-26(37)33-25(34(27(35)38)16-18-6-8-20(29)9-7-18)32-21-10-12-22(13-11-21)40-23-19(15-30)5-4-14-31-23/h4-14H,16-17H2,1-3H3,(H,32,33,37)
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 US10065941 (2018)

More data for this
Ligand-Target Pair
p2x3


(Homo sapiens (human))
BDBM271546
PNG
(US10065941, Compound I-047)
Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ncccc3C#N)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O
Show InChI InChI=1S/C26H21ClN6O5/c1-16(23(34)35)14-33-25(36)31-24(32(26(33)37)15-17-4-6-19(27)7-5-17)30-20-8-10-21(11-9-20)38-22-18(13-28)3-2-12-29-22/h2-12,16H,14-15H2,1H3,(H,34,35)(H,30,31,36)/t16-/m0/s1
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 US10065941 (2018)

More data for this
Ligand-Target Pair
p2x3


(Homo sapiens (human))
BDBM271547
PNG
(US10065941, Compound I-048)
Show SMILES CC(C)(Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ncccc3C#N)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O
Show InChI InChI=1S/C27H23ClN6O5/c1-27(2,23(35)36)16-34-25(37)32-24(33(26(34)38)15-17-5-7-19(28)8-6-17)31-20-9-11-21(12-10-20)39-22-18(14-29)4-3-13-30-22/h3-13H,15-16H2,1-2H3,(H,35,36)(H,31,32,37)
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 US10065941 (2018)

More data for this
Ligand-Target Pair
p2x3


(Homo sapiens (human))
BDBM271548
PNG
(US10065941, Compound I-049)
Show SMILES OC(=O)C1(Cn2c(=O)[nH]\c(=N/c3ccc(Oc4cccc(F)n4)cc3)n(Cc3ccc(Cl)cc3)c2=O)COC1
Show InChI InChI=1S/C26H21ClFN5O6/c27-17-6-4-16(5-7-17)12-32-23(31-24(36)33(25(32)37)13-26(22(34)35)14-38-15-26)29-18-8-10-19(11-9-18)39-21-3-1-2-20(28)30-21/h1-11H,12-15H2,(H,34,35)(H,29,31,36)
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 US10065941 (2018)

More data for this
Ligand-Target Pair
p2x3


(Homo sapiens (human))
BDBM271549
PNG
(US10065941, Compound I-050)
Show SMILES OC(=O)C1(Cn2c(=O)[nH]\c(=N/c3ccc(Oc4ncccc4F)cc3)n(Cc3ccc(Cl)cc3)c2=O)COC1
Show InChI InChI=1S/C26H21ClFN5O6/c27-17-5-3-16(4-6-17)12-32-23(31-24(36)33(25(32)37)13-26(22(34)35)14-38-15-26)30-18-7-9-19(10-8-18)39-21-20(28)2-1-11-29-21/h1-11H,12-15H2,(H,34,35)(H,30,31,36)
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 US10065941 (2018)

More data for this
Ligand-Target Pair
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