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Patent code US9212130

Compile Data Set for Download or QSAR
Found 181 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))		BDBM196325
PNG
(US9212130, I-245)
Show SMILES Fc1cncc(Oc2ccc(Nc3ncc(NC(=O)C4CCOCC4)c(=O)n3Cc3ccc(Cl)cc3)cc2)c1
Show InChI InChI=1S/C28H25ClFN5O4/c29-20-3-1-18(2-4-20)17-35-27(37)25(34-26(36)19-9-11-38-12-10-19)16-32-28(35)33-22-5-7-23(8-6-22)39-24-13-21(30)14-31-15-24/h1-8,13-16,19H,9-12,17H2,(H,32,33)(H,34,36)
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n/an/a 0.800n/an/an/an/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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


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

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


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

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


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

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


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

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


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

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


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

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


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

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


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

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


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

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


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

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


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

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


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

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


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

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


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

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


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

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196199
PNG
(US9212130, I-094)
Show SMILES CC(C)Oc1ccc(Nc2cc(=O)n(CC3COC(C)(C)OC3)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl
Show InChI InChI=1S/C27H31Cl2N3O5/c1-17(2)37-23-10-9-21(11-22(23)29)30-24-12-25(33)32(14-19-15-35-27(3,4)36-16-19)26(34)31(24)13-18-5-7-20(28)8-6-18/h5-12,17,19,30H,13-16H2,1-4H3
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196166
PNG
(US9212130, I-012)
Show SMILES CC(C)Oc1ccc(Nc2cc(=O)n(CC(C)(C)C(O)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl
Show InChI InChI=1S/C25H27Cl2N3O5/c1-15(2)35-20-10-9-18(11-19(20)27)28-21-12-22(31)30(14-25(3,4)23(32)33)24(34)29(21)13-16-5-7-17(26)8-6-16/h5-12,15,28H,13-14H2,1-4H3,(H,32,33)
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196316
PNG
(US9212130, I-236)
Show SMILES CC(C)Oc1ccc(Nc2ncc(NC(=O)C3CCOCC3)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl
Show InChI InChI=1S/C26H28Cl2N4O4/c1-16(2)36-23-8-7-20(13-21(23)28)30-26-29-14-22(31-24(33)18-9-11-35-12-10-18)25(34)32(26)15-17-3-5-19(27)6-4-17/h3-8,13-14,16,18H,9-12,15H2,1-2H3,(H,29,30)(H,31,33)
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196203
PNG
(US9212130, I-099)
Show SMILES CC(C)Oc1ccc(Nc2cc(=O)n(CC(CO)CO)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl
Show InChI InChI=1S/C24H27Cl2N3O5/c1-15(2)34-21-8-7-19(9-20(21)26)27-22-10-23(32)29(12-17(13-30)14-31)24(33)28(22)11-16-3-5-18(25)6-4-16/h3-10,15,17,27,30-31H,11-14H2,1-2H3
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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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196393
PNG
(US9212130, I-315)
Show SMILES CCn1c(=O)cc(Nc2ccc(Oc3cncc(c3)C(O)=O)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C25H21ClN4O5/c1-2-29-23(31)12-22(30(25(29)34)15-16-3-5-18(26)6-4-16)28-19-7-9-20(10-8-19)35-21-11-17(24(32)33)13-27-14-21/h3-14,28H,2,15H2,1H3,(H,32,33)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196374
PNG
(BDBM196434 | US9212130, I-298)
Show SMILES Cc1ccc(Oc2ccc(Nc3ncc(NC(=O)C(CO)CO)c(=O)n3Cc3ccc(Cl)cc3)cc2)cn1
Show InChI InChI=1S/C27H26ClN5O5/c1-17-2-9-23(12-29-17)38-22-10-7-21(8-11-22)31-27-30-13-24(32-25(36)19(15-34)16-35)26(37)33(27)14-18-3-5-20(28)6-4-18/h2-13,19,34-35H,14-16H2,1H3,(H,30,31)(H,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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196367
PNG
(US9212130, I-289)
Show SMILES CC(C)Oc1ccc(Nc2ncc(NC(=O)NC3CCOCC3)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C26H29ClFN5O4/c1-16(2)37-23-8-7-20(13-21(23)28)30-25-29-14-22(32-26(35)31-19-9-11-36-12-10-19)24(34)33(25)15-17-3-5-18(27)6-4-17/h3-8,13-14,16,19H,9-12,15H2,1-2H3,(H,29,30)(H2,31,32,35)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196330
PNG
(US9212130, I-250)
Show SMILES CCNC(=O)Nc1cnc(Nc2ccc(OC(C)C)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C23H25ClFN5O3/c1-4-26-23(32)29-19-12-27-22(28-17-9-10-20(18(25)11-17)33-14(2)3)30(21(19)31)13-15-5-7-16(24)8-6-15/h5-12,14H,4,13H2,1-3H3,(H,27,28)(H2,26,29,32)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196364
PNG
(US9212130, I-286)
Show SMILES Cc1nc2ccc(Nc3nc(=O)c(cn3Cc3ccc(Cl)cc3)C(=O)NC3CCOCC3)cc2s1
Show InChI InChI=1S/C25H24ClN5O3S/c1-15-27-21-7-6-19(12-22(21)35-15)29-25-30-24(33)20(23(32)28-18-8-10-34-11-9-18)14-31(25)13-16-2-4-17(26)5-3-16/h2-7,12,14,18H,8-11,13H2,1H3,(H,28,32)(H,29,30,33)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196374
PNG
(BDBM196434 | US9212130, I-298)
Show SMILES Cc1ccc(Oc2ccc(Nc3ncc(NC(=O)C(CO)CO)c(=O)n3Cc3ccc(Cl)cc3)cc2)cn1
Show InChI InChI=1S/C27H26ClN5O5/c1-17-2-9-23(12-29-17)38-22-10-7-21(8-11-22)31-27-30-13-24(32-25(36)19(15-34)16-35)26(37)33(27)14-18-3-5-20(28)6-4-18/h2-13,19,34-35H,14-16H2,1H3,(H,30,31)(H,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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196394
PNG
(US9212130, I-316)
Show SMILES CCn1c(=O)cc(Nc2ccc(Oc3ccnc(c3)C(=O)OC)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C26H23ClN4O5/c1-3-30-24(32)15-23(31(26(30)34)16-17-4-6-18(27)7-5-17)29-19-8-10-20(11-9-19)36-21-12-13-28-22(14-21)25(33)35-2/h4-15,29H,3,16H2,1-2H3
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196425
PNG
(US9212130, I-353)
Show SMILES Cc1nc2ccc(Nc3cc(=O)n(CCOC4CCCCO4)c(=O)n3Cc3ccc(Cl)cc3)cc2s1
Show InChI InChI=1S/C26H27ClN4O4S/c1-17-28-21-10-9-20(14-22(21)36-17)29-23-15-24(32)30(11-13-35-25-4-2-3-12-34-25)26(33)31(23)16-18-5-7-19(27)8-6-18/h5-10,14-15,25,29H,2-4,11-13,16H2,1H3
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196396
PNG
(US9212130, I-318)
Show SMILES Cc1nc2ccc(Nc3ncc(NC(=O)OC(C)(C)C)c(=O)n3Cc3ccc(Cl)cc3)cc2s1
Show InChI InChI=1S/C24H24ClN5O3S/c1-14-27-18-10-9-17(11-20(18)34-14)28-22-26-12-19(29-23(32)33-24(2,3)4)21(31)30(22)13-15-5-7-16(25)8-6-15/h5-12H,13H2,1-4H3,(H,26,28)(H,29,32)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196204
PNG
(US9212130, I-100)
Show SMILES CC(C)Oc1ccc(Nc2cc(=O)n(C[C@H](C)C(O)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl |r|
Show InChI InChI=1S/C24H25Cl2N3O5/c1-14(2)34-20-9-8-18(10-19(20)26)27-21-11-22(30)29(12-15(3)23(31)32)24(33)28(21)13-16-4-6-17(25)7-5-16/h4-11,14-15,27H,12-13H2,1-3H3,(H,31,32)/t15-/m0/s1
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196372
PNG
(US9212130, I-294)
Show SMILES Cc1ccc(Oc2ccc(Nc3ncc(NC(=O)C4COC(C)(C)OC4)c(=O)n3Cc3ccc(Cl)cc3)cc2)cn1
Show InChI InChI=1S/C30H30ClN5O5/c1-19-4-11-25(14-32-19)41-24-12-9-23(10-13-24)34-29-33-15-26(35-27(37)21-17-39-30(2,3)40-18-21)28(38)36(29)16-20-5-7-22(31)8-6-20/h4-15,21H,16-18H2,1-3H3,(H,33,34)(H,35,37)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196350
PNG
(US9212130, I-270)
Show SMILES CC(C)Oc1ccc(Nc2ncc(NC(=O)C3CCN(CC3)C(C)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C28H31ClFN5O4/c1-17(2)39-25-9-8-22(14-23(25)30)32-28-31-15-24(27(38)35(28)16-19-4-6-21(29)7-5-19)33-26(37)20-10-12-34(13-11-20)18(3)36/h4-9,14-15,17,20H,10-13,16H2,1-3H3,(H,31,32)(H,33,37)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196165
PNG
(US9212130, I-010)
Show SMILES COC(=O)C(C)(C)Cn1c(=O)cc(Nc2ccc(OC(C)C)c(Cl)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C26H29Cl2N3O5/c1-16(2)36-21-11-10-19(12-20(21)28)29-22-13-23(32)31(15-26(3,4)24(33)35-5)25(34)30(22)14-17-6-8-18(27)9-7-17/h6-13,16,29H,14-15H2,1-5H3
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196433
PNG
(US9212130, I-361)
Show SMILES Cc1nc2ccc(Nc3ncc(NC(=O)C(CO)CO)c(=O)n3Cc3ccc(Cl)cc3)cc2s1
Show InChI InChI=1S/C23H22ClN5O4S/c1-13-26-18-7-6-17(8-20(18)34-13)27-23-25-9-19(28-21(32)15(11-30)12-31)22(33)29(23)10-14-2-4-16(24)5-3-14/h2-9,15,30-31H,10-12H2,1H3,(H,25,27)(H,28,32)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196315
PNG
(US9212130, I-235)
Show SMILES CC(C)Oc1ccc(Nc2ncc(NC(=O)C3CCOCC3)c(=O)n2Cc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C26H29ClN4O4/c1-17(2)35-22-9-7-21(8-10-22)29-26-28-15-23(30-24(32)19-11-13-34-14-12-19)25(33)31(26)16-18-3-5-20(27)6-4-18/h3-10,15,17,19H,11-14,16H2,1-2H3,(H,28,29)(H,30,32)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196390
PNG
(US9212130, I-312)
Show SMILES CSc1ccc(Cn2c(Nc3ccc4nc(C)sc4c3)ncc(NC(=O)C3CCOCC3)c2=O)cc1
Show InChI InChI=1S/C26H27N5O3S2/c1-16-28-21-8-5-19(13-23(21)36-16)29-26-27-14-22(30-24(32)18-9-11-34-12-10-18)25(33)31(26)15-17-3-6-20(35-2)7-4-17/h3-8,13-14,18H,9-12,15H2,1-2H3,(H,27,29)(H,30,32)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196355
PNG
(US9212130, I-275)
Show SMILES CC(C)Oc1ccc(Nc2ncc(NC(=O)c3cc[nH]c(=O)c3)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C26H23ClFN5O4/c1-15(2)37-22-8-7-19(12-20(22)28)31-26-30-13-21(32-24(35)17-9-10-29-23(34)11-17)25(36)33(26)14-16-3-5-18(27)6-4-16/h3-13,15H,14H2,1-2H3,(H,29,34)(H,30,31)(H,32,35)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196213
PNG
(US9212130, I-111)
Show SMILES CC(C)Oc1ccc(NC2=CC(O)N(CC(=O)NC(CO)CO)C(=O)N2Cc2ccc(Cl)cc2)cc1F |t:9|
Show InChI InChI=1S/C25H30ClFN4O6/c1-15(2)37-21-8-7-18(9-20(21)27)28-22-10-24(35)31(12-23(34)29-19(13-32)14-33)25(36)30(22)11-16-3-5-17(26)6-4-16/h3-10,15,19,24,28,32-33,35H,11-14H2,1-2H3,(H,29,34)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196317
PNG
(US9212130, I-237)
Show SMILES CC(C)Oc1ccc(Nc2ncc(NC(=O)C3CCOCC3)c(=O)n2Cc2ccc(Cl)cc2)cc1C
Show InChI InChI=1S/C27H31ClN4O4/c1-17(2)36-24-9-8-22(14-18(24)3)30-27-29-15-23(31-25(33)20-10-12-35-13-11-20)26(34)32(27)16-19-4-6-21(28)7-5-19/h4-9,14-15,17,20H,10-13,16H2,1-3H3,(H,29,30)(H,31,33)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196205
PNG
(US9212130, I-103)
Show SMILES COC(=O)CCCn1c(=O)cc(Nc2ccc(OC(C)C)c(Cl)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C25H27Cl2N3O5/c1-16(2)35-21-11-10-19(13-20(21)27)28-22-14-23(31)29(12-4-5-24(32)34-3)25(33)30(22)15-17-6-8-18(26)9-7-17/h6-11,13-14,16,28H,4-5,12,15H2,1-3H3
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196371
PNG
(US9212130, I-293)
Show SMILES CC(=O)OC(C)(C)C(=O)Nc1cnc(Nc2ccc(Oc3ccc(C)nc3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C29H28ClN5O5/c1-18-5-12-24(15-31-18)39-23-13-10-22(11-14-23)33-28-32-16-25(34-27(38)29(3,4)40-19(2)36)26(37)35(28)17-20-6-8-21(30)9-7-20/h5-16H,17H2,1-4H3,(H,32,33)(H,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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196214
PNG
(US9212130, I-112)
Show SMILES CC(C)Oc1ccc(NC2=CC(O)N(CC(=O)NCCO)C(=O)N2Cc2ccc(Cl)cc2)cc1F |t:9|
Show InChI InChI=1S/C24H28ClFN4O5/c1-15(2)35-20-8-7-18(11-19(20)26)28-21-12-23(33)30(14-22(32)27-9-10-31)24(34)29(21)13-16-3-5-17(25)6-4-16/h3-8,11-12,15,23,28,31,33H,9-10,13-14H2,1-2H3,(H,27,32)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196340
PNG
(US9212130, I-260)
Show SMILES CCCC(=O)Nc1cnc(Nc2ccc(OC(C)C)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C24H26ClFN4O3/c1-4-5-22(31)29-20-13-27-24(28-18-10-11-21(19(26)12-18)33-15(2)3)30(23(20)32)14-16-6-8-17(25)9-7-16/h6-13,15H,4-5,14H2,1-3H3,(H,27,28)(H,29,31)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196358
PNG
(US9212130, I-278)
Show SMILES CC(C)Oc1ccc(Nc2ncc(NC(=O)N3CCOCC3)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C25H27ClFN5O4/c1-16(2)36-22-8-7-19(13-20(22)27)29-24-28-14-21(30-25(34)31-9-11-35-12-10-31)23(33)32(24)15-17-3-5-18(26)6-4-17/h3-8,13-14,16H,9-12,15H2,1-2H3,(H,28,29)(H,30,34)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196200
PNG
(US9212130, I-095)
Show SMILES COC(=O)[C@@H](C)Cn1c(=O)cc(Nc2ccc(OC(C)C)c(Cl)c2)n(Cc2ccc(Cl)cc2)c1=O |r|
Show InChI InChI=1S/C25H27Cl2N3O5/c1-15(2)35-21-10-9-19(11-20(21)27)28-22-12-23(31)30(13-16(3)24(32)34-4)25(33)29(22)14-17-5-7-18(26)8-6-17/h5-12,15-16,28H,13-14H2,1-4H3/t16-/m0/s1
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196428
PNG
(BDBM196435 | US9212130, I-358)
Show SMILES CC(=O)N1CCC(CC1)C(=O)Nc1cnc(Nc2ccc3nc(C)sc3c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C27H27ClN6O3S/c1-16-30-22-8-7-21(13-24(22)38-16)31-27-29-14-23(26(37)34(27)15-18-3-5-20(28)6-4-18)32-25(36)19-9-11-33(12-10-19)17(2)35/h3-8,13-14,19H,9-12,15H2,1-2H3,(H,29,31)(H,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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196366
PNG
(US9212130, I-288)
Show SMILES CC(C)Oc1ccc(Nc2ncc(NC(=O)C(CO)CO)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C24H26ClFN4O5/c1-14(2)35-21-8-7-18(9-19(21)26)28-24-27-10-20(29-22(33)16(12-31)13-32)23(34)30(24)11-15-3-5-17(25)6-4-15/h3-10,14,16,31-32H,11-13H2,1-2H3,(H,27,28)(H,29,33)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196257
PNG
(US9212130, I-164)
Show SMILES COC(=O)[C@H](C)NC(=O)c1cnc(Nc2ccc(OC(C)C)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O |r|
Show InChI InChI=1S/C25H26ClFN4O5/c1-14(2)36-21-10-9-18(11-20(21)27)30-25-28-12-19(22(32)29-15(3)24(34)35-4)23(33)31(25)13-16-5-7-17(26)8-6-16/h5-12,14-15H,13H2,1-4H3,(H,28,30)(H,29,32)/t15-/m0/s1
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196428
PNG
(BDBM196435 | US9212130, I-358)
Show SMILES CC(=O)N1CCC(CC1)C(=O)Nc1cnc(Nc2ccc3nc(C)sc3c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C27H27ClN6O3S/c1-16-30-22-8-7-21(13-24(22)38-16)31-27-29-14-23(26(37)34(27)15-18-3-5-20(28)6-4-18)32-25(36)19-9-11-33(12-10-19)17(2)35/h3-8,13-14,19H,9-12,15H2,1-2H3,(H,29,31)(H,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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196170
PNG
(US9212130, I-021)
Show SMILES CC(C)Oc1ccc(Nc2cc(=O)n(CC(C)(C)C(O)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C25H27ClFN3O5/c1-15(2)35-20-10-9-18(11-19(20)27)28-21-12-22(31)30(14-25(3,4)23(32)33)24(34)29(21)13-16-5-7-17(26)8-6-16/h5-12,15,28H,13-14H2,1-4H3,(H,32,33)
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196327
PNG
(US9212130, I-247)
Show SMILES CC(C)Oc1ccc(Nc2ncc(NC(=O)C(C)C)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C24H26ClFN4O3/c1-14(2)22(31)29-20-12-27-24(28-18-9-10-21(19(26)11-18)33-15(3)4)30(23(20)32)13-16-5-7-17(25)8-6-16/h5-12,14-15H,13H2,1-4H3,(H,27,28)(H,29,31)
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196334
PNG
(US9212130, I-254)
Show SMILES CC(C)Oc1ccc(Nc2ncc(NC(=O)C(O)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C22H20ClFN4O5/c1-12(2)33-18-8-7-15(9-16(18)24)26-22-25-10-17(27-19(29)21(31)32)20(30)28(22)11-13-3-5-14(23)6-4-13/h3-10,12H,11H2,1-2H3,(H,25,26)(H,27,29)(H,31,32)
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196251
PNG
(US9212130, I-158)
Show SMILES CC(C)Oc1ccc(Nc2ncc(NC(=O)OC(C)(C)C)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C25H28ClFN4O4/c1-15(2)34-21-11-10-18(12-19(21)27)29-23-28-13-20(30-24(33)35-25(3,4)5)22(32)31(23)14-16-6-8-17(26)9-7-16/h6-13,15H,14H2,1-5H3,(H,28,29)(H,30,33)
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196365
PNG
(US9212130, I-287)
Show SMILES CC(C)Oc1ccc(Nc2ncc(NC(=O)C3COC(C)(C)OC3)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C27H30ClFN4O5/c1-16(2)38-23-10-9-20(11-21(23)29)31-26-30-12-22(32-24(34)18-14-36-27(3,4)37-15-18)25(35)33(26)13-17-5-7-19(28)8-6-17/h5-12,16,18H,13-15H2,1-4H3,(H,30,31)(H,32,34)
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196368
PNG
(US9212130, I-290)
Show SMILES CC(C)Oc1ccc(Nc2ncc(NC(=O)C(C)(C)C#N)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C25H25ClFN5O3/c1-15(2)35-21-10-9-18(11-19(21)27)30-24-29-12-20(31-23(34)25(3,4)14-28)22(33)32(24)13-16-5-7-17(26)8-6-16/h5-12,15H,13H2,1-4H3,(H,29,30)(H,31,34)
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196424
PNG
(US9212130, I-352)
Show SMILES COC(=O)CCCn1c(=O)cc(Nc2ccc3nc(C)sc3c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C24H23ClN4O4S/c1-15-26-19-10-9-18(12-20(19)34-15)27-21-13-22(30)28(11-3-4-23(31)33-2)24(32)29(21)14-16-5-7-17(25)8-6-16/h5-10,12-13,27H,3-4,11,14H2,1-2H3
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196328
PNG
(US9212130, I-248)
Show SMILES COCCC(=O)Nc1cnc(Nc2ccc(OC(C)C)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C24H26ClFN4O4/c1-15(2)34-21-9-8-18(12-19(21)26)28-24-27-13-20(29-22(31)10-11-33-3)23(32)30(24)14-16-4-6-17(25)7-5-16/h4-9,12-13,15H,10-11,14H2,1-3H3,(H,27,28)(H,29,31)
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196300
PNG
(US9212130, I-215)
Show SMILES CC(C)Oc1ccc(Nc2cc(=O)n(C[C@H](C)C(O)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1C |r|
Show InChI InChI=1S/C25H28ClN3O5/c1-15(2)34-21-10-9-20(11-16(21)3)27-22-12-23(30)29(13-17(4)24(31)32)25(33)28(22)14-18-5-7-19(26)8-6-18/h5-12,15,17,27H,13-14H2,1-4H3,(H,31,32)/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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196347
PNG
(US9212130, I-267)
Show SMILES CC(C)Oc1ccc(Nc2ncc(NC(=O)C(C)(C)OC(C)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C26H28ClFN4O5/c1-15(2)36-22-11-10-19(12-20(22)28)30-25-29-13-21(31-24(35)26(4,5)37-16(3)33)23(34)32(25)14-17-6-8-18(27)9-7-17/h6-13,15H,14H2,1-5H3,(H,29,30)(H,31,35)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196169
PNG
(US9212130, I-020)
Show SMILES COC(=O)C(C)(C)Cn1c(=O)cc(Nc2ccc(OC(C)C)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C26H29ClFN3O5/c1-16(2)36-21-11-10-19(12-20(21)28)29-22-13-23(32)31(15-26(3,4)24(33)35-5)25(34)30(22)14-17-6-8-18(27)9-7-17/h6-13,16,29H,14-15H2,1-5H3
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196351
PNG
(US9212130, I-271)
Show SMILES CC(C)Oc1ccc(Nc2ncc(C(=O)NNC(=O)OC(C)(C)C)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C26H29ClFN5O5/c1-15(2)37-21-11-10-18(12-20(21)28)30-24-29-13-19(22(34)31-32-25(36)38-26(3,4)5)23(35)33(24)14-16-6-8-17(27)9-7-16/h6-13,15H,14H2,1-5H3,(H,29,30)(H,31,34)(H,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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196349
PNG
(US9212130, I-269)
Show SMILES CC(C)Oc1ccc(Nc2ncc(NC(=O)CCO)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C23H24ClFN4O4/c1-14(2)33-20-8-7-17(11-18(20)25)27-23-26-12-19(28-21(31)9-10-30)22(32)29(23)13-15-3-5-16(24)6-4-15/h3-8,11-12,14,30H,9-10,13H2,1-2H3,(H,26,27)(H,28,31)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196321
PNG
(US9212130, I-241)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)c(cn2Cc2ccc(Cl)cc2)C(=O)NC2CCOCC2)cc1F
Show InChI InChI=1S/C26H28ClFN4O4/c1-16(2)36-23-8-7-20(13-22(23)28)30-26-31-25(34)21(24(33)29-19-9-11-35-12-10-19)15-32(26)14-17-3-5-18(27)6-4-17/h3-8,13,15-16,19H,9-12,14H2,1-2H3,(H,29,33)(H,30,31,34)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196356
PNG
(US9212130, I-276)
Show SMILES CC(C)Oc1ccc(Nc2ncc(NC(=O)c3ccc(=O)[nH]c3)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C26H23ClFN5O4/c1-15(2)37-22-9-8-19(11-20(22)28)31-26-30-13-21(32-24(35)17-5-10-23(34)29-12-17)25(36)33(26)14-16-3-6-18(27)7-4-16/h3-13,15H,14H2,1-2H3,(H,29,34)(H,30,31)(H,32,35)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196343
PNG
(US9212130, I-263)
Show SMILES CCOC(=O)Nc1cnc(Nc2ccc(OC(C)C)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C23H24ClFN4O4/c1-4-32-23(31)28-19-12-26-22(27-17-9-10-20(18(25)11-17)33-14(2)3)29(21(19)30)13-15-5-7-16(24)8-6-15/h5-12,14H,4,13H2,1-3H3,(H,26,27)(H,28,31)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196208
PNG
(US9212130, I-106)
Show SMILES CC(C)Oc1ccc(Nc2cc(=O)n(CCCC(O)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl
Show InChI InChI=1S/C24H25Cl2N3O5/c1-15(2)34-20-10-9-18(12-19(20)26)27-21-13-22(30)28(11-3-4-23(31)32)24(33)29(21)14-16-5-7-17(25)8-6-16/h5-10,12-13,15,27H,3-4,11,14H2,1-2H3,(H,31,32)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196392
PNG
(US9212130, I-314)
Show SMILES CCn1c(=O)cc(Nc2ccc(Oc3cncc(c3)C(=O)OC)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C26H23ClN4O5/c1-3-30-24(32)13-23(31(26(30)34)16-17-4-6-19(27)7-5-17)29-20-8-10-21(11-9-20)36-22-12-18(14-28-15-22)25(33)35-2/h4-15,29H,3,16H2,1-2H3
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196329
PNG
(US9212130, I-249)
Show SMILES COCC(=O)Nc1cnc(Nc2ccc(OC(C)C)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C23H24ClFN4O4/c1-14(2)33-20-9-8-17(10-18(20)25)27-23-26-11-19(28-21(30)13-32-3)22(31)29(23)12-15-4-6-16(24)7-5-15/h4-11,14H,12-13H2,1-3H3,(H,26,27)(H,28,30)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196298
PNG
(US9212130, I-212)
Show SMILES COC(=O)[C@@H](C)Cn1c(=O)cc(Nc2ccc(OC(C)C)c(C)c2)n(Cc2ccc(Cl)cc2)c1=O |r|
Show InChI InChI=1S/C26H30ClN3O5/c1-16(2)35-22-11-10-21(12-17(22)3)28-23-13-24(31)30(14-18(4)25(32)34-5)26(33)29(23)15-19-6-8-20(27)9-7-19/h6-13,16,18,28H,14-15H2,1-5H3/t18-/m0/s1
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196385
PNG
(US9212130, I-307)
Show SMILES CC(C)NC(=O)c1cn(Cc2ccc(Cl)cc2)c(Nc2ccc3nc(C)sc3c2)nc1=O
Show InChI InChI=1S/C23H22ClN5O2S/c1-13(2)25-21(30)18-12-29(11-15-4-6-16(24)7-5-15)23(28-22(18)31)27-17-8-9-19-20(10-17)32-14(3)26-19/h4-10,12-13H,11H2,1-3H3,(H,25,30)(H,27,28,31)
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196369
PNG
(US9212130, I-291)
Show SMILES CC(=O)Nc1cnc(Nc2ccc(Oc3ccc(C)nc3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C25H22ClN5O3/c1-16-3-10-22(13-27-16)34-21-11-8-20(9-12-21)30-25-28-14-23(29-17(2)32)24(33)31(25)15-18-4-6-19(26)7-5-18/h3-14H,15H2,1-2H3,(H,28,30)(H,29,32)
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196338
PNG
(US9212130, I-258)
Show SMILES CC(C)Oc1ccc(Nc2ncc(C(N)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C21H20ClFN4O3/c1-12(2)30-18-8-7-15(9-17(18)23)26-21-25-10-16(19(24)28)20(29)27(21)11-13-3-5-14(22)6-4-13/h3-10,12H,11H2,1-2H3,(H2,24,28)(H,25,26)
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196313
PNG
(US9212130, I-233)
Show SMILES CC(C)Oc1ccc(Nc2ncc(NC(=O)CC3CCOCC3)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C27H30ClFN4O4/c1-17(2)37-24-8-7-21(14-22(24)29)31-27-30-15-23(32-25(34)13-18-9-11-36-12-10-18)26(35)33(27)16-19-3-5-20(28)6-4-19/h3-8,14-15,17-18H,9-13,16H2,1-2H3,(H,30,31)(H,32,34)
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196357
PNG
(US9212130, I-277)
Show SMILES CC(C)Oc1ccc(Nc2ncc(NC(N)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C21H21ClFN5O3/c1-12(2)31-18-8-7-15(9-16(18)23)26-21-25-10-17(27-20(24)30)19(29)28(21)11-13-3-5-14(22)6-4-13/h3-10,12H,11H2,1-2H3,(H,25,26)(H3,24,27,30)
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196225
PNG
(US9212130, I-126)
Show SMILES CCOC(=O)c1cnc(Nc2ccc(OC(C)C)c(Cl)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C23H23Cl2N3O4/c1-4-31-22(30)18-12-26-23(27-17-9-10-20(19(25)11-17)32-14(2)3)28(21(18)29)13-15-5-7-16(24)8-6-15/h5-12,14H,4,13H2,1-3H3,(H,26,27)
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196294
PNG
(US9212130, I-208)
Show SMILES CC(C)Oc1ccc(Nc2ncc(N(C)C(=O)OC(C)(C)C)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C26H30ClFN4O4/c1-16(2)35-22-12-11-19(13-20(22)28)30-24-29-14-21(31(6)25(34)36-26(3,4)5)23(33)32(24)15-17-7-9-18(27)10-8-17/h7-14,16H,15H2,1-6H3,(H,29,30)
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196217
PNG
(US9212130, I-115)
Show SMILES CCOC(=O)CCC1=CN(Cc2ccc(Cl)cc2)C(Nc2ccc(OC(C)C)c(Cl)c2)=NC1O |c:32,t:7|
Show InChI InChI=1S/C25H29Cl2N3O4/c1-4-33-23(31)12-7-18-15-30(14-17-5-8-19(26)9-6-17)25(29-24(18)32)28-20-10-11-22(21(27)13-20)34-16(2)3/h5-6,8-11,13,15-16,24,32H,4,7,12,14H2,1-3H3,(H,28,29)
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196209
PNG
(US9212130, I-107)
Show SMILES COC(=O)C(C)(C)Cn1c(=O)cc(Nc2cccc(c2)C(F)(F)F)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C24H23ClF3N3O4/c1-23(2,21(33)35-3)14-31-20(32)12-19(29-18-6-4-5-16(11-18)24(26,27)28)30(22(31)34)13-15-7-9-17(25)10-8-15/h4-12,29H,13-14H2,1-3H3
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196335
PNG
(US9212130, I-255)
Show SMILES CC(C)Oc1ccc(Nc2ncc(C(=O)OC(C)(C)C)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C25H27ClFN3O4/c1-15(2)33-21-11-10-18(12-20(21)27)29-24-28-13-19(23(32)34-25(3,4)5)22(31)30(24)14-16-6-8-17(26)9-7-16/h6-13,15H,14H2,1-5H3,(H,28,29)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196346
PNG
(US9212130, I-266)
Show SMILES CC(C)Oc1ccc(Nc2ncc(C(=O)NNC=O)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C22H21ClFN5O4/c1-13(2)33-19-8-7-16(9-18(19)24)27-22-25-10-17(20(31)28-26-12-30)21(32)29(22)11-14-3-5-15(23)6-4-14/h3-10,12-13H,11H2,1-2H3,(H,25,27)(H,26,30)(H,28,31)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196303
PNG
(US9212130, I-218)
Show SMILES CC(C)Oc1ccc(Nc2cc(=O)n(C[C@H](C)C(O)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1 |r|
Show InChI InChI=1S/C24H26ClN3O5/c1-15(2)33-20-10-8-19(9-11-20)26-21-12-22(29)28(13-16(3)23(30)31)24(32)27(21)14-17-4-6-18(25)7-5-17/h4-12,15-16,26H,13-14H2,1-3H3,(H,30,31)/t16-/m0/s1
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196427
PNG
(US9212130, I-355)
Show SMILES Cc1nc2ccc(Nc3cc(=O)n(CCO)c(=O)n3Cc3ccc(Cl)cc3)cc2s1
Show InChI InChI=1S/C21H19ClN4O3S/c1-13-23-17-7-6-16(10-18(17)30-13)24-19-11-20(28)25(8-9-27)21(29)26(19)12-14-2-4-15(22)5-3-14/h2-7,10-11,24,27H,8-9,12H2,1H3
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196246
PNG
(US9212130, I-153)
Show SMILES CC(C)Oc1ccc(Nc2ncc(C(=O)NC(CO)CO)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C24H26ClFN4O5/c1-14(2)35-21-8-7-17(9-20(21)26)29-24-27-10-19(22(33)28-18(12-31)13-32)23(34)30(24)11-15-3-5-16(25)6-4-15/h3-10,14,18,31-32H,11-13H2,1-2H3,(H,27,29)(H,28,33)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196210
PNG
(US9212130, I-108)
Show SMILES COC(=O)C(C)(C)Cn1c(=O)cc(Nc2cccc(n2)C(F)(F)F)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C23H22ClF3N4O4/c1-22(2,20(33)35-3)13-31-19(32)11-18(29-17-6-4-5-16(28-17)23(25,26)27)30(21(31)34)12-14-7-9-15(24)10-8-14/h4-11H,12-13H2,1-3H3,(H,28,29)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196387
PNG
(US9212130, I-309)
Show SMILES Cc1nc2ccc(Nc3nc(=O)c(cn3Cc3ccc(Cl)cc3)C(=O)NC3CC3)cc2s1
Show InChI InChI=1S/C23H20ClN5O2S/c1-13-25-19-9-8-17(10-20(19)32-13)27-23-28-22(31)18(21(30)26-16-6-7-16)12-29(23)11-14-2-4-15(24)5-3-14/h2-5,8-10,12,16H,6-7,11H2,1H3,(H,26,30)(H,27,28,31)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196332
PNG
(US9212130, I-252)
Show SMILES CC(C)Oc1ccc(Nc2ncc(NS(C)(=O)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C21H22ClFN4O4S/c1-13(2)31-19-9-8-16(10-17(19)23)25-21-24-11-18(26-32(3,29)30)20(28)27(21)12-14-4-6-15(22)7-5-14/h4-11,13,26H,12H2,1-3H3,(H,24,25)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196354
PNG
(US9212130, I-274)
Show SMILES COc1ccc(cn1)C(=O)Nc1cnc(Nc2ccc(OC(C)C)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C27H25ClFN5O4/c1-16(2)38-23-10-9-20(12-21(23)29)32-27-31-14-22(33-25(35)18-6-11-24(37-3)30-13-18)26(36)34(27)15-17-4-7-19(28)8-5-17/h4-14,16H,15H2,1-3H3,(H,31,32)(H,33,35)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196322
PNG
(US9212130, I-242)
Show SMILES CC(C)Oc1ccc(Nc2ncc(C(=O)NC3CCOCC3)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C26H28ClFN4O4/c1-16(2)36-23-8-7-20(13-22(23)28)31-26-29-14-21(24(33)30-19-9-11-35-12-10-19)25(34)32(26)15-17-3-5-18(27)6-4-17/h3-8,13-14,16,19H,9-12,15H2,1-2H3,(H,29,31)(H,30,33)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196230
PNG
(US9212130, I-133)
Show SMILES CCOC(=O)c1cnc(Nc2ccc(OC(C)C)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C23H23ClFN3O4/c1-4-31-22(30)18-12-26-23(27-17-9-10-20(19(25)11-17)32-14(2)3)28(21(18)29)13-15-5-7-16(24)8-6-15/h5-12,14H,4,13H2,1-3H3,(H,26,27)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196215
PNG
(US9212130, I-113)
Show SMILES CC(C)(CN1C(O)C=C(Nc2cccc(c2)C(F)(F)F)N(Cc2ccc(Cl)cc2)C1=O)C(O)=O |t:7|
Show InChI InChI=1S/C23H23ClF3N3O4/c1-22(2,20(32)33)13-30-19(31)11-18(28-17-5-3-4-15(10-17)23(25,26)27)29(21(30)34)12-14-6-8-16(24)9-7-14/h3-11,19,28,31H,12-13H2,1-2H3,(H,32,33)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196380
PNG
(US9212130, I-302)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)c1cn(Cc2ccc(Cl)cc2)c(Nc2ccc3nc(C)sc3c2)nc1=O
Show InChI InChI=1S/C27H27ClN6O3S/c1-16-29-23-8-7-21(13-24(23)38-16)31-27-32-26(37)22(15-34(27)14-18-3-5-19(28)6-4-18)25(36)30-20-9-11-33(12-10-20)17(2)35/h3-8,13,15,20H,9-12,14H2,1-2H3,(H,30,36)(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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196310
PNG
(US9212130, I-230)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)c(NC(=O)OC(C)(C)C)cn2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C25H28ClFN4O4/c1-15(2)34-21-11-10-18(12-19(21)27)28-23-30-22(32)20(29-24(33)35-25(3,4)5)14-31(23)13-16-6-8-17(26)9-7-16/h6-12,14-15H,13H2,1-5H3,(H,29,33)(H,28,30,32)
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196426
PNG
(US9212130, I-354)
Show SMILES Cc1nc2ccc(Nc3cc(=O)n(CCCC(O)=O)c(=O)n3Cc3ccc(Cl)cc3)cc2s1
Show InChI InChI=1S/C23H21ClN4O4S/c1-14-25-18-9-8-17(11-19(18)33-14)26-20-12-21(29)27(10-2-3-22(30)31)23(32)28(20)13-15-4-6-16(24)7-5-15/h4-9,11-12,26H,2-3,10,13H2,1H3,(H,30,31)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196353
PNG
(US9212130, I-273)
Show SMILES COc1cc(ccn1)C(=O)Nc1cnc(Nc2ccc(OC(C)C)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C27H25ClFN5O4/c1-16(2)38-23-9-8-20(13-21(23)29)32-27-31-14-22(33-25(35)18-10-11-30-24(12-18)37-3)26(36)34(27)15-17-4-6-19(28)7-5-17/h4-14,16H,15H2,1-3H3,(H,31,32)(H,33,35)
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196245
PNG
(US9212130, I-152)
Show SMILES CC(C)Oc1ccc(Nc2ncc(C(=O)NCCO)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C23H24ClFN4O4/c1-14(2)33-20-8-7-17(11-19(20)25)28-23-27-12-18(21(31)26-9-10-30)22(32)29(23)13-15-3-5-16(24)6-4-15/h3-8,11-12,14,30H,9-10,13H2,1-2H3,(H,26,31)(H,27,28)
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196206
PNG
(US9212130, I-104)
Show SMILES COC(=O)Cn1c(=O)cc(Nc2ccc(OC(C)C)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C23H23ClFN3O5/c1-14(2)33-19-9-8-17(10-18(19)25)26-20-11-21(29)28(13-22(30)32-3)23(31)27(20)12-15-4-6-16(24)7-5-15/h4-11,14,26H,12-13H2,1-3H3
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196290
PNG
(US9212130, I-197)
Show SMILES COC(=O)[C@@H](C)NC(=O)c1cnc(Nc2ccc(OC(C)C)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O |r|
Show InChI InChI=1S/C25H26ClFN4O5/c1-14(2)36-21-10-9-18(11-20(21)27)30-25-28-12-19(22(32)29-15(3)24(34)35-4)23(33)31(25)13-16-5-7-17(26)8-6-16/h5-12,14-15H,13H2,1-4H3,(H,28,30)(H,29,32)/t15-/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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196352
PNG
(US9212130, I-272)
Show SMILES CC(C)Oc1ccc(Nc2ncc(C(=O)NN)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C21H21ClFN5O3/c1-12(2)31-18-8-7-15(9-17(18)23)26-21-25-10-16(19(29)27-24)20(30)28(21)11-13-3-5-14(22)6-4-13/h3-10,12H,11,24H2,1-2H3,(H,25,26)(H,27,29)
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196397
PNG
(US9212130, I-319)
Show SMILES Cc1nc2ccc(Nc3ncc(NC(=O)OCc4ccccc4)c(=O)n3Cc3ccc(Cl)cc3)cc2s1
Show InChI InChI=1S/C27H22ClN5O3S/c1-17-30-22-12-11-21(13-24(22)37-17)31-26-29-14-23(32-27(35)36-16-19-5-3-2-4-6-19)25(34)33(26)15-18-7-9-20(28)10-8-18/h2-14H,15-16H2,1H3,(H,29,31)(H,32,35)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196420
PNG
(US9212130, I-348)
Show SMILES Cc1nc2ccc(Nc3nc(C)c(NC(=O)OC(C)(C)C)c(=O)n3Cc3ccc(Cl)cc3)cc2s1
Show InChI InChI=1S/C25H26ClN5O3S/c1-14-21(30-24(33)34-25(3,4)5)22(32)31(13-16-6-8-17(26)9-7-16)23(27-14)29-18-10-11-19-20(12-18)35-15(2)28-19/h6-12H,13H2,1-5H3,(H,27,29)(H,30,33)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196301
PNG
(US9212130, I-216)
Show SMILES COC(=O)[C@@H](C)Cn1c(=O)cc(Nc2ccc(OC(C)C)cc2)n(Cc2ccc(Cl)cc2)c1=O |r|
Show InChI InChI=1S/C25H28ClN3O5/c1-16(2)34-21-11-9-20(10-12-21)27-22-13-23(30)29(14-17(3)24(31)33-4)25(32)28(22)15-18-5-7-19(26)8-6-18/h5-13,16-17,27H,14-15H2,1-4H3/t17-/m0/s1
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196191
PNG
(US9212130, I-068)
Show SMILES CC(C)Oc1ccc(Nc2cc(=O)n(Cc3ccccc3)cc2C(O)c2ccc(Cl)cc2)cc1Cl
Show InChI InChI=1S/C28H26Cl2N2O3/c1-18(2)35-26-13-12-22(14-24(26)30)31-25-15-27(33)32(16-19-6-4-3-5-7-19)17-23(25)28(34)20-8-10-21(29)11-9-20/h3-15,17-18,28,31,34H,16H2,1-2H3
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196326
PNG
(US9212130, I-246)
Show SMILES CC(C)Oc1ccc(Nc2ncc(NC(C)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C22H22ClFN4O3/c1-13(2)31-20-9-8-17(10-18(20)24)27-22-25-11-19(26-14(3)29)21(30)28(22)12-15-4-6-16(23)7-5-15/h4-11,13H,12H2,1-3H3,(H,25,27)(H,26,29)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196228
PNG
(US9212130, I-131)
Show SMILES CCOC(=O)c1cn(Cc2ccc(Cl)cc2)c(Nc2ccc(OC(C)C)c(F)c2)nc1=O
Show InChI InChI=1S/C23H23ClFN3O4/c1-4-31-22(30)18-13-28(12-15-5-7-16(24)8-6-15)23(27-21(18)29)26-17-9-10-20(19(25)11-17)32-14(2)3/h5-11,13-14H,4,12H2,1-3H3,(H,26,27,29)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196377
PNG
(US9212130, I-299)
Show SMILES Cc1nc2ccc(Nc3nc(=O)c(cn3Cc3ccc(Cl)cc3)C(=O)NCCCO)cc2s1
Show InChI InChI=1S/C23H22ClN5O3S/c1-14-26-19-8-7-17(11-20(19)33-14)27-23-28-22(32)18(21(31)25-9-2-10-30)13-29(23)12-15-3-5-16(24)6-4-15/h3-8,11,13,30H,2,9-10,12H2,1H3,(H,25,31)(H,27,28,32)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196375
PNG
(US9212130, I-297)
Show SMILES CC(=O)Nc1cnc(Nc2ccc3nc(C)sc3c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C21H18ClN5O2S/c1-12(28)24-18-10-23-21(26-16-7-8-17-19(9-16)30-13(2)25-17)27(20(18)29)11-14-3-5-15(22)6-4-14/h3-10H,11H2,1-2H3,(H,23,26)(H,24,28)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196408
PNG
(US9212130, I-333)
Show SMILES COC(=O)CCNC(=O)c1c(O)[nH]\c(=N/c2ccc(OC(C)C)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C25H27ClN4O6/c1-15(2)36-19-10-8-18(9-11-19)28-25-29-23(33)21(22(32)27-13-12-20(31)35-3)24(34)30(25)14-16-4-6-17(26)7-5-16/h4-11,15,33H,12-14H2,1-3H3,(H,27,32)(H,28,29)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196243
PNG
(US9212130, I-150)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)c(cn2Cc2ccc(Cl)cc2)C(=O)NC(CO)CO)cc1F
Show InChI InChI=1S/C24H26ClFN4O5/c1-14(2)35-21-8-7-17(9-20(21)26)28-24-29-23(34)19(22(33)27-18(12-31)13-32)11-30(24)10-15-3-5-16(25)6-4-15/h3-9,11,14,18,31-32H,10,12-13H2,1-2H3,(H,27,33)(H,28,29,34)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196379
PNG
(US9212130, I-301)
Show SMILES Cc1nc2ccc(Nc3nc(=O)c(cn3Cc3ccc(Cl)cc3)C(=O)NCCC#N)cc2s1
Show InChI InChI=1S/C23H19ClN6O2S/c1-14-27-19-8-7-17(11-20(19)33-14)28-23-29-22(32)18(21(31)26-10-2-9-25)13-30(23)12-15-3-5-16(24)6-4-15/h3-8,11,13H,2,10,12H2,1H3,(H,26,31)(H,28,29,32)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196189
PNG
(US9212130, I-065)
Show SMILES CC(C)Oc1ccc(Nc2cc(=O)n(Cc3ccccc3)cc2C(=O)c2ccc(Cl)cc2)cc1Cl
Show InChI InChI=1S/C28H24Cl2N2O3/c1-18(2)35-26-13-12-22(14-24(26)30)31-25-15-27(33)32(16-19-6-4-3-5-7-19)17-23(25)28(34)20-8-10-21(29)11-9-20/h3-15,17-18,31H,16H2,1-2H3
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196388
PNG
(US9212130, I-310)
Show SMILES CN(C)NC(=O)c1cn(Cc2ccc(Cl)cc2)c(Nc2ccc3nc(C)sc3c2)nc1=O
Show InChI InChI=1S/C22H21ClN6O2S/c1-13-24-18-9-8-16(10-19(18)32-13)25-22-26-20(30)17(21(31)27-28(2)3)12-29(22)11-14-4-6-15(23)7-5-14/h4-10,12H,11H2,1-3H3,(H,27,31)(H,25,26,30)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196386
PNG
(US9212130, I-308)
Show SMILES Cc1nc2ccc(Nc3nc(=O)c(cn3Cc3ccc(Cl)cc3)C(=O)NC3COC3)cc2s1
Show InChI InChI=1S/C23H20ClN5O3S/c1-13-25-19-7-6-16(8-20(19)33-13)27-23-28-22(31)18(21(30)26-17-11-32-12-17)10-29(23)9-14-2-4-15(24)5-3-14/h2-8,10,17H,9,11-12H2,1H3,(H,26,30)(H,27,28,31)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196359
PNG
(US9212130, I-279)
Show SMILES CC(C)Oc1ccc(Nc2ncc(NC(=O)c3ccn(C)c(=O)c3)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C27H25ClFN5O4/c1-16(2)38-23-9-8-20(13-21(23)29)31-27-30-14-22(32-25(36)18-10-11-33(3)24(35)12-18)26(37)34(27)15-17-4-6-19(28)7-5-17/h4-14,16H,15H2,1-3H3,(H,30,31)(H,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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196423
PNG
(US9212130, I-351)
Show SMILES CCc1c(C)nc(Nc2ccc3nc(C)sc3c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C22H21ClN4OS/c1-4-18-13(2)24-22(26-17-9-10-19-20(11-17)29-14(3)25-19)27(21(18)28)12-15-5-7-16(23)8-6-15/h5-11H,4,12H2,1-3H3,(H,24,26)
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196171
PNG
(US9212130, I-022)
Show SMILES CC(C)Oc1ccc(Nc2ncc(Cc3ccccc3)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl
Show InChI InChI=1S/C27H25Cl2N3O2/c1-18(2)34-25-13-12-23(15-24(25)29)31-27-30-16-21(14-19-6-4-3-5-7-19)26(33)32(27)17-20-8-10-22(28)11-9-20/h3-13,15-16,18H,14,17H2,1-2H3,(H,30,31)
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196172
PNG
(US9212130, I-023)
Show SMILES CC(C)Oc1ccc(NC2=NC(=O)\C(=C\c3ccccc3)C(=O)N2Cc2ccc(Cl)cc2)cc1Cl |t:9|
Show InChI InChI=1S/C27H24Cl2N3O3/c1-17(2)35-24-13-12-21(15-23(24)29)30-27-31-25(33)22(14-18-6-4-3-5-7-18)26(34)32(27)16-19-8-10-20(28)11-9-19/h3-13,15,17H,14,16H2,1-2H3,(H,30,31,33)
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196219
PNG
(US9212130, I-117)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)c(CCC(O)=O)cn2Cc2ccc(Cl)cc2)cc1Cl
Show InChI InChI=1S/C23H23Cl2N3O4/c1-14(2)32-20-9-8-18(11-19(20)25)26-23-27-22(31)16(5-10-21(29)30)13-28(23)12-15-3-6-17(24)7-4-15/h3-4,6-9,11,13-14H,5,10,12H2,1-2H3,(H,29,30)(H,26,27,31)
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196216
PNG
(US9212130, I-114)
Show SMILES CC(C)(CN1C(O)C=C(Nc2cccc(n2)C(F)(F)F)N(Cc2ccc(Cl)cc2)C1=O)C(O)=O |t:7|
Show InChI InChI=1S/C22H22ClF3N4O4/c1-21(2,19(32)33)12-30-18(31)10-17(28-16-5-3-4-15(27-16)22(24,25)26)29(20(30)34)11-13-6-8-14(23)9-7-13/h3-10,18,31H,11-12H2,1-2H3,(H,27,28)(H,32,33)
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196378
PNG
(US9212130, I-300)
Show SMILES COCCCNC(=O)c1cn(Cc2ccc(Cl)cc2)c(Nc2ccc3nc(C)sc3c2)nc1=O
Show InChI InChI=1S/C24H24ClN5O3S/c1-15-27-20-9-8-18(12-21(20)34-15)28-24-29-23(32)19(22(31)26-10-3-11-33-2)14-30(24)13-16-4-6-17(25)7-5-16/h4-9,12,14H,3,10-11,13H2,1-2H3,(H,26,31)(H,28,29,32)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196419
PNG
(US9212130, I-347)
Show SMILES Cc1nc2ccc(Nc3nc(C)c(C(N)=O)c(=O)n3Cc3ccc(Cl)cc3)cc2s1
Show InChI InChI=1S/C21H18ClN5O2S/c1-11-18(19(23)28)20(29)27(10-13-3-5-14(22)6-4-13)21(24-11)26-15-7-8-16-17(9-15)30-12(2)25-16/h3-9H,10H2,1-2H3,(H2,23,28)(H,24,26)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196409
PNG
(US9212130, I-334)
Show SMILES CCOC(=O)c1c(O)[nH]\c(=N/c2ccc(OC(C)C)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C23H24ClN3O5/c1-4-31-22(30)19-20(28)26-23(25-17-9-11-18(12-10-17)32-14(2)3)27(21(19)29)13-15-5-7-16(24)8-6-15/h5-12,14,28H,4,13H2,1-3H3,(H,25,26)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196234
PNG
(US9212130, I-138)
Show SMILES CC(C)Oc1ccc(Nc2ncc(N3CCOCC3)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C24H26ClFN4O3/c1-16(2)33-22-8-7-19(13-20(22)26)28-24-27-14-21(29-9-11-32-12-10-29)23(31)30(24)15-17-3-5-18(25)6-4-17/h3-8,13-14,16H,9-12,15H2,1-2H3,(H,27,28)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196229
PNG
(US9212130, I-132)
Show SMILES CCOC(=O)\C=C\c1cnc(Nc2ccc(OC(C)C)c(Cl)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C25H25Cl2N3O4/c1-4-33-23(31)12-7-18-14-28-25(29-20-10-11-22(21(27)13-20)34-16(2)3)30(24(18)32)15-17-5-8-19(26)9-6-17/h5-14,16H,4,15H2,1-3H3,(H,28,29)/b12-7+
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196384
PNG
(US9212130, I-306)
Show SMILES Cc1nc2ccc(Nc3ncc(Br)c(=O)n3Cc3ccc(Cl)cc3)cc2s1
Show InChI InChI=1S/C19H14BrClN4OS/c1-11-23-16-7-6-14(8-17(16)27-11)24-19-22-9-15(20)18(26)25(19)10-12-2-4-13(21)5-3-12/h2-9H,10H2,1H3,(H,22,24)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196399
PNG
(US9212130, I-323)
Show SMILES CCC1C(=O)N\C(=N/c2ccc(OC(C)C)cc2)N(Cc2ccc(Cl)cc2)C1=O
Show InChI InChI=1S/C22H24ClN3O3/c1-4-19-20(27)25-22(24-17-9-11-18(12-10-17)29-14(2)3)26(21(19)28)13-15-5-7-16(23)8-6-15/h5-12,14,19H,4,13H2,1-3H3,(H,24,25,27)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196233
PNG
(US9212130, I-137)
Show SMILES CC(C)Oc1ccc(Nc2ncc(CCC(O)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl
Show InChI InChI=1S/C23H23Cl2N3O4/c1-14(2)32-20-9-8-18(11-19(20)25)27-23-26-12-16(5-10-21(29)30)22(31)28(23)13-15-3-6-17(24)7-4-15/h3-4,6-9,11-12,14H,5,10,13H2,1-2H3,(H,26,27)(H,29,30)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196311
PNG
(US9212130, I-231)
Show SMILES CC(C)Oc1ccc(Nc2ncc(NC(=O)CCC(O)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C24H24ClFN4O5/c1-14(2)35-20-8-7-17(11-18(20)26)28-24-27-12-19(29-21(31)9-10-22(32)33)23(34)30(24)13-15-3-5-16(25)6-4-15/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,27,28)(H,29,31)(H,32,33)
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196293
PNG
(US9212130, I-201)
Show SMILES CC(C)Oc1ccc(Nc2ncc(C(=O)N[C@@H](C)C(O)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1F |r|
Show InChI InChI=1S/C24H24ClFN4O5/c1-13(2)35-20-9-8-17(10-19(20)26)29-24-27-11-18(21(31)28-14(3)23(33)34)22(32)30(24)12-15-4-6-16(25)7-5-15/h4-11,13-14H,12H2,1-3H3,(H,27,29)(H,28,31)(H,33,34)/t14-/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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196202
PNG
(US9212130, I-098)
Show SMILES CCOC(=O)\C=C\c1cn(Cc2ccc(Cl)cc2)c(Nc2ccc(OC(C)C)c(Cl)c2)nc1=O
Show InChI InChI=1S/C25H25Cl2N3O4/c1-4-33-23(31)12-7-18-15-30(14-17-5-8-19(26)9-6-17)25(29-24(18)32)28-20-10-11-22(21(27)13-20)34-16(2)3/h5-13,15-16H,4,14H2,1-3H3,(H,28,29,32)/b12-7+
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196360
PNG
(US9212130, I-280)
Show SMILES Cc1nc2ccc(Nc3ncc(C)c(=O)n3Cc3ccc(Cl)cc3)cc2s1
Show InChI InChI=1S/C20H17ClN4OS/c1-12-10-22-20(24-16-7-8-17-18(9-16)27-13(2)23-17)25(19(12)26)11-14-3-5-15(21)6-4-14/h3-10H,11H2,1-2H3,(H,22,24)
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196164
PNG
(US9212130, I-005)
Show SMILES CC(C)Oc1ccc(Nc2cc(=O)n(Cc3ccc(Cl)cc3)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl
Show InChI InChI=1S/C27H24Cl3N3O3/c1-17(2)36-24-12-11-22(13-23(24)30)31-25-14-26(34)33(16-19-5-9-21(29)10-6-19)27(35)32(25)15-18-3-7-20(28)8-4-18/h3-14,17,31H,15-16H2,1-2H3
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196224
PNG
(US9212130, I-125)
Show SMILES CCOC(=O)c1cn(Cc2ccc(Cl)cc2)c(Nc2ccc(OC(C)C)c(Cl)c2)nc1=O
Show InChI InChI=1S/C23H23Cl2N3O4/c1-4-31-22(30)18-13-28(12-15-5-7-16(24)8-6-15)23(27-21(18)29)26-17-9-10-20(19(25)11-17)32-14(2)3/h5-11,13-14H,4,12H2,1-3H3,(H,26,27,29)
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196361
PNG
(US9212130, I-282)
Show SMILES CCOC(=O)c1cn(Cc2ccc(Cl)cc2)c(Nc2ccc3nc(C)sc3c2)nc1=O
Show InChI InChI=1S/C22H19ClN4O3S/c1-3-30-21(29)17-12-27(11-14-4-6-15(23)7-5-14)22(26-20(17)28)25-16-8-9-18-19(10-16)31-13(2)24-18/h4-10,12H,3,11H2,1-2H3,(H,25,26,28)
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196417
PNG
(US9212130, I-345)
Show SMILES CCOC(=O)c1c(C)nc(Nc2ccc3nc(C)sc3c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C23H21ClN4O3S/c1-4-31-22(30)20-13(2)25-23(27-17-9-10-18-19(11-17)32-14(3)26-18)28(21(20)29)12-15-5-7-16(24)8-6-15/h5-11H,4,12H2,1-3H3,(H,25,27)
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196421
PNG
(US9212130, I-349)
Show SMILES Cc1nc2ccc(Nc3nc(C)c(Br)c(=O)n3Cc3ccc(Cl)cc3)cc2s1
Show InChI InChI=1S/C20H16BrClN4OS/c1-11-18(21)19(27)26(10-13-3-5-14(22)6-4-13)20(23-11)25-15-7-8-16-17(9-15)28-12(2)24-16/h3-9H,10H2,1-2H3,(H,23,25)
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196201
PNG
(US9212130, I-097)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)c(\C=C\C(O)=O)cn2Cc2ccc(Cl)cc2)cc1Cl
Show InChI InChI=1S/C23H21Cl2N3O4/c1-14(2)32-20-9-8-18(11-19(20)25)26-23-27-22(31)16(5-10-21(29)30)13-28(23)12-15-3-6-17(24)7-4-15/h3-11,13-14H,12H2,1-2H3,(H,29,30)(H,26,27,31)/b10-5+
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196190
PNG
(US9212130, I-067)
Show SMILES CC(C)Oc1ccc(Nc2cc(=O)n(Cc3ccccc3)cc2Cc2ccc(Cl)cc2)cc1Cl
Show InChI InChI=1S/C28H26Cl2N2O2/c1-19(2)34-27-13-12-24(15-25(27)30)31-26-16-28(33)32(17-21-6-4-3-5-7-21)18-22(26)14-20-8-10-23(29)11-9-20/h3-13,15-16,18-19,31H,14,17H2,1-2H3
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196218
PNG
(US9212130, I-116)
Show SMILES CCOC(=O)CCC1CN(Cc2ccc(Cl)cc2)C(Nc2ccc(OC(C)C)c(Cl)c2)=NC1=O |c:32|
Show InChI InChI=1S/C25H29Cl2N3O4/c1-4-33-23(31)12-7-18-15-30(14-17-5-8-19(26)9-6-17)25(29-24(18)32)28-20-10-11-22(21(27)13-20)34-16(2)3/h5-6,8-11,13,16,18H,4,7,12,14-15H2,1-3H3,(H,28,29,32)
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196337
PNG
(US9212130, I-257)
Show SMILES CC(C)Oc1ccc(Nc2ncc(Br)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C20H18BrClFN3O2/c1-12(2)28-18-8-7-15(9-17(18)23)25-20-24-10-16(21)19(27)26(20)11-13-3-5-14(22)6-4-13/h3-10,12H,11H2,1-2H3,(H,24,25)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196241
PNG
(US9212130, I-148)
Show SMILES CCOC(=O)c1cn(Cc2ccc(Cl)cc2)c2cc(Nc3ccccc3)ccc2c1=O
Show InChI InChI=1S/C25H21ClN2O3/c1-2-31-25(30)22-16-28(15-17-8-10-18(26)11-9-17)23-14-20(12-13-21(23)24(22)29)27-19-6-4-3-5-7-19/h3-14,16,27H,2,15H2,1H3
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196235
PNG
(US9212130, I-139)
Show SMILES CC(C)Oc1ccc(Nc2ncc(\C=C\C(O)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl
Show InChI InChI=1S/C23H21Cl2N3O4/c1-14(2)32-20-9-8-18(11-19(20)25)27-23-26-12-16(5-10-21(29)30)22(31)28(23)13-15-3-6-17(24)7-4-15/h3-12,14H,13H2,1-2H3,(H,26,27)(H,29,30)/b10-5+
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196406
PNG
(US9212130, I-330)
Show SMILES CC(C)Oc1ccc(Nc2nc(C)c(Cc3ccccc3)c(=O)n2Cc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C28H28ClN3O2/c1-19(2)34-25-15-13-24(14-16-25)31-28-30-20(3)26(17-21-7-5-4-6-8-21)27(33)32(28)18-22-9-11-23(29)12-10-22/h4-16,19H,17-18H2,1-3H3,(H,30,31)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196239
PNG
(US9212130, I-146)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)c(cn2Cc2ccc(Cl)cc2)C(=O)NCCO)cc1F
Show InChI InChI=1S/C23H24ClFN4O4/c1-14(2)33-20-8-7-17(11-19(20)25)27-23-28-22(32)18(21(31)26-9-10-30)13-29(23)12-15-3-5-16(24)6-4-15/h3-8,11,13-14,30H,9-10,12H2,1-2H3,(H,26,31)(H,27,28,32)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196422
PNG
(US9212130, I-350)
Show SMILES Cc1nc2ccc(Nc3nc(C)c(C=C)c(=O)n3Cc3ccc(Cl)cc3)cc2s1
Show InChI InChI=1S/C22H19ClN4OS/c1-4-18-13(2)24-22(26-17-9-10-19-20(11-17)29-14(3)25-19)27(21(18)28)12-15-5-7-16(23)8-6-15/h4-11H,1,12H2,2-3H3,(H,24,26)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196177
PNG
(US9212130, I-046)
Show SMILES CCOC(=O)c1cn(Cc2ccccc2)c(=O)cc1Nc1ccc(OC(C)C)c(Cl)c1
Show InChI InChI=1S/C24H25ClN2O4/c1-4-30-24(29)19-15-27(14-17-8-6-5-7-9-17)23(28)13-21(19)26-18-10-11-22(20(25)12-18)31-16(2)3/h5-13,15-16,26H,4,14H2,1-3H3
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196295
PNG
(US9212130, I-209)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)c(cn2Cc2ccc(Cl)cc2)N2CCOCC2)cc1F
Show InChI InChI=1S/C24H26ClFN4O3/c1-16(2)33-22-8-7-19(13-20(22)26)27-24-28-23(31)21(29-9-11-32-12-10-29)15-30(24)14-17-3-5-18(25)6-4-17/h3-8,13,15-16H,9-12,14H2,1-2H3,(H,27,28,31)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196192
PNG
(US9212130, I-069)
Show SMILES CC(C)Oc1ccc(NC2SC(Oc3ccccc3)=N\C2=C/c2ccc(Cl)cc2)cc1F |c:19|
Show InChI InChI=1S/C25H22ClFN2O2S/c1-16(2)30-23-13-12-19(15-21(23)27)28-24-22(14-17-8-10-18(26)11-9-17)29-25(32-24)31-20-6-4-3-5-7-20/h3-16,24,28H,1-2H3/b22-14-
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196168
PNG
(US9212130, I-014)
Show SMILES CC(C)Oc1ccc(Nc2[nH]c(=O)n(Cc3ccccc3)c(=O)c2Cc2ccc(C)cc2)cc1
Show InChI InChI=1S/C28H29N3O3/c1-19(2)34-24-15-13-23(14-16-24)29-26-25(17-21-11-9-20(3)10-12-21)27(32)31(28(33)30-26)18-22-7-5-4-6-8-22/h4-16,19,29H,17-18H2,1-3H3,(H,30,33)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196212
PNG
(US9212130, I-110)
Show SMILES CC(C)Oc1ccc(Nc2nc(OCCO)c3ccccc3c2C(=O)c2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C27H24ClFN2O4/c1-16(2)35-23-12-11-19(15-22(23)29)30-26-24(25(33)17-7-9-18(28)10-8-17)20-5-3-4-6-21(20)27(31-26)34-14-13-32/h3-12,15-16,32H,13-14H2,1-2H3,(H,30,31)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196207
PNG
(US9212130, I-105)
Show SMILES CC(C)Oc1ccc(Nc2cc(=O)n(CC(O)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C22H21ClFN3O5/c1-13(2)32-18-8-7-16(9-17(18)24)25-19-10-20(28)27(12-21(29)30)22(31)26(19)11-14-3-5-15(23)6-4-14/h3-10,13,25H,11-12H2,1-2H3,(H,29,30)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196320
PNG
(US9212130, I-240)
Show SMILES COCCC(=O)Nc1cn(Cc2ccc(Cl)cc2)c(Nc2ccc(OC(C)C)c(F)c2)nc1=O
Show InChI InChI=1S/C24H26ClFN4O4/c1-15(2)34-21-9-8-18(12-19(21)26)27-24-29-23(32)20(28-22(31)10-11-33-3)14-30(24)13-16-4-6-17(25)7-5-16/h4-9,12,14-15H,10-11,13H2,1-3H3,(H,28,31)(H,27,29,32)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196299
PNG
(US9212130, I-213)
Show SMILES COC(=O)[C@@H](C)Cn1c(=O)cc(Nc2ccc(OC(C)C)cn2)n(Cc2ccc(Cl)cc2)c1=O |r|
Show InChI InChI=1S/C24H27ClN4O5/c1-15(2)34-19-9-10-20(26-12-19)27-21-11-22(30)29(13-16(3)23(31)33-4)24(32)28(21)14-17-5-7-18(25)8-6-17/h5-12,15-16H,13-14H2,1-4H3,(H,26,27)/t16-/m0/s1
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196370
PNG
(US9212130, I-292)
Show SMILES Cc1ccc(Oc2ccc(Nc3ncc(N)c(=O)n3Cc3ccc(Cl)cc3)cc2)cn1
Show InChI InChI=1S/C23H20ClN5O2/c1-15-2-9-20(12-26-15)31-19-10-7-18(8-11-19)28-23-27-13-21(25)22(30)29(23)14-16-3-5-17(24)6-4-16/h2-13H,14,25H2,1H3,(H,27,28)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196339
PNG
(US9212130, I-259)
Show SMILES CC(C)Oc1ccc(Nc2ncc(C#N)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C21H18ClFN4O2/c1-13(2)29-19-8-7-17(9-18(19)23)26-21-25-11-15(10-24)20(28)27(21)12-14-3-5-16(22)6-4-14/h3-9,11,13H,12H2,1-2H3,(H,25,26)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196302
PNG
(US9212130, I-217)
Show SMILES CC(C)Oc1ccc(Nc2cc(=O)n(C[C@H](C)C(O)=O)c(=O)n2Cc2ccc(Cl)cc2)nc1 |r|
Show InChI InChI=1S/C23H25ClN4O5/c1-14(2)33-18-8-9-19(25-11-18)26-20-10-21(29)28(12-15(3)22(30)31)23(32)27(20)13-16-4-6-17(24)7-5-16/h4-11,14-15H,12-13H2,1-3H3,(H,25,26)(H,30,31)/t15-/m0/s1
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196227
PNG
(US9212130, I-129)
Show SMILES CC(C)Oc1ccc(Nc2ncc(C(O)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl
Show InChI InChI=1S/C21H19Cl2N3O4/c1-12(2)30-18-8-7-15(9-17(18)23)25-21-24-10-16(20(28)29)19(27)26(21)11-13-3-5-14(22)6-4-13/h3-10,12H,11H2,1-2H3,(H,24,25)(H,28,29)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196194
PNG
(US9212130, I-071)
Show SMILES CCNc1ccc(Nc2ccc(OC(C)C)cc2)c(Cc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C24H27ClN2O/c1-4-26-22-11-14-24(19(16-22)15-18-5-7-20(25)8-6-18)27-21-9-12-23(13-10-21)28-17(2)3/h5-14,16-17,26-27H,4,15H2,1-3H3
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196407
PNG
(US9212130, I-332)
Show SMILES CC(C)NC(=O)c1c(O)[nH]\c(=N/c2ccc(OC(C)C)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C24H27ClN4O4/c1-14(2)26-21(30)20-22(31)28-24(27-18-9-11-19(12-10-18)33-15(3)4)29(23(20)32)13-16-5-7-17(25)8-6-16/h5-12,14-15,31H,13H2,1-4H3,(H,26,30)(H,27,28)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196249
PNG
(US9212130, I-156)
Show SMILES CC(C)Oc1ccc(Nc2ncc(C(=O)N(C)CCO)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C24H26ClFN4O4/c1-15(2)34-21-9-8-18(12-20(21)26)28-24-27-13-19(22(32)29(3)10-11-31)23(33)30(24)14-16-4-6-17(25)7-5-16/h4-9,12-13,15,31H,10-11,14H2,1-3H3,(H,27,28)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196307
PNG
(US9212130, I-224)
Show SMILES CC(C)Oc1ccc(Nc2ncc(NCC3CCOCC3)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C26H30ClFN4O3/c1-17(2)35-24-8-7-21(13-22(24)28)31-26-30-15-23(29-14-18-9-11-34-12-10-18)25(33)32(26)16-19-3-5-20(27)6-4-19/h3-8,13,15,17-18,29H,9-12,14,16H2,1-2H3,(H,30,31)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196319
PNG
(US9212130, I-239)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)c(NC=O)cn2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C21H20ClFN4O3/c1-13(2)30-19-8-7-16(9-17(19)23)25-21-26-20(29)18(24-12-28)11-27(21)10-14-3-5-15(22)6-4-14/h3-9,11-13H,10H2,1-2H3,(H,24,28)(H,25,26,29)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196413
PNG
(US9212130, I-339)
Show SMILES CC(C)Oc1ccc(cc1)\N=c1/[nH]c(O)c(NC(C)=O)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C22H23ClN4O4/c1-13(2)31-18-10-8-17(9-11-18)25-22-26-20(29)19(24-14(3)28)21(30)27(22)12-15-4-6-16(23)7-5-15/h4-11,13,29H,12H2,1-3H3,(H,24,28)(H,25,26)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196333
PNG
(US9212130, I-253)
Show SMILES CC(C)Oc1ccc(Nc2ncc(N(S(C)(=O)=O)S(C)(=O)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C22H24ClFN4O6S2/c1-14(2)34-20-10-9-17(11-18(20)24)26-22-25-12-19(28(35(3,30)31)36(4,32)33)21(29)27(22)13-15-5-7-16(23)8-6-15/h5-12,14H,13H2,1-4H3,(H,25,26)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196305
PNG
(US9212130, I-222)
Show SMILES CNc1cnc(Nc2ccc(OC(C)C)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C21H22ClFN4O2/c1-13(2)29-19-9-8-16(10-17(19)23)26-21-25-11-18(24-3)20(28)27(21)12-14-4-6-15(22)7-5-14/h4-11,13,24H,12H2,1-3H3,(H,25,26)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196250
PNG
(US9212130, I-157)
Show SMILES CCOC(=O)\C=C\c1cnc(Nc2ccc(OC(C)C)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C25H25ClFN3O4/c1-4-33-23(31)12-7-18-14-28-25(29-20-10-11-22(21(27)13-20)34-16(2)3)30(24(18)32)15-17-5-8-19(26)9-6-17/h5-14,16H,4,15H2,1-3H3,(H,28,29)/b12-7+
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196193
PNG
(US9212130, I-070)
Show SMILES CC(C)Oc1ccc(Nc2oc(Cc3ccccc3)nc2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C26H24ClFN2O2/c1-17(2)31-24-13-12-21(16-22(24)28)29-26-23(14-19-8-10-20(27)11-9-19)30-25(32-26)15-18-6-4-3-5-7-18/h3-13,16-17,29H,14-15H2,1-2H3
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196318
PNG
(US9212130, I-238)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)c(NC(=O)C3CCOCC3)cn2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C26H28ClFN4O4/c1-16(2)36-23-8-7-20(13-21(23)28)29-26-31-25(34)22(30-24(33)18-9-11-35-12-10-18)15-32(26)14-17-3-5-19(27)6-4-17/h3-8,13,15-16,18H,9-12,14H2,1-2H3,(H,30,33)(H,29,31,34)
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SHIONOGI & CO., LTD.

US Patent


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

US Patent US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196323
PNG
(US9212130, I-243)
Show SMILES CC(C)Oc1ccc(Nc2ncc(N)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C20H20ClFN4O2/c1-12(2)28-18-8-7-15(9-16(18)22)25-20-24-10-17(23)19(27)26(20)11-13-3-5-14(21)6-4-13/h3-10,12H,11,23H2,1-2H3,(H,24,25)
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196415
PNG
(US9212130, I-341)
Show SMILES CC(C)Oc1ccc(cc1)\N=c1/[nH]c(O)c(NC(=O)C(C)C)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C24H27ClN4O4/c1-14(2)21(30)27-20-22(31)28-24(26-18-9-11-19(12-10-18)33-15(3)4)29(23(20)32)13-16-5-7-17(25)8-6-16/h5-12,14-15,31H,13H2,1-4H3,(H,26,28)(H,27,30)
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196312
PNG
(US9212130, I-232)
Show SMILES CC(C)Oc1ccc(Nc2ncc(CCC(O)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C23H23ClFN3O4/c1-14(2)32-20-9-8-18(11-19(20)25)27-23-26-12-16(5-10-21(29)30)22(31)28(23)13-15-3-6-17(24)7-4-15/h3-4,6-9,11-12,14H,5,10,13H2,1-2H3,(H,26,27)(H,29,30)
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196187
PNG
(US9212130, I-063)
Show SMILES CC(C)Oc1ccc(Nc2ccc(Cc3nc(oc(=O)c3Cl)N(C)C)cc2)cc1F
Show InChI InChI=1S/C22H23ClFN3O3/c1-13(2)29-19-10-9-16(12-17(19)24)25-15-7-5-14(6-8-15)11-18-20(23)21(28)30-22(26-18)27(3)4/h5-10,12-13,25H,11H2,1-4H3
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196416
PNG
(US9212130, I-343)
Show SMILES Cc1nc2ccc(Nc3nc(C)cc(=O)n3Cc3ccc(Cl)cc3)cc2s1
Show InChI InChI=1S/C20H17ClN4OS/c1-12-9-19(26)25(11-14-3-5-15(21)6-4-14)20(22-12)24-16-7-8-17-18(10-16)27-13(2)23-17/h3-10H,11H2,1-2H3,(H,22,24)
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196306
PNG
(US9212130, I-223)
Show SMILES CC(C)Oc1ccc(Nc2ncc(NCCCO)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C23H26ClFN4O3/c1-15(2)32-21-9-8-18(12-19(21)25)28-23-27-13-20(26-10-3-11-30)22(31)29(23)14-16-4-6-17(24)7-5-16/h4-9,12-13,15,26,30H,3,10-11,14H2,1-2H3,(H,27,28)
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196336
PNG
(US9212130, I-256)
Show SMILES CC(C)Oc1ccc(Nc2nccc(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C20H19ClFN3O2/c1-13(2)27-18-8-7-16(11-17(18)22)24-20-23-10-9-19(26)25(20)12-14-3-5-15(21)6-4-14/h3-11,13H,12H2,1-2H3,(H,23,24)
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196185
PNG
(US9212130, I-061)
Show SMILES CCOC(=O)c1cn(Cc2ccccc2)c(=O)cc1Nc1ccc(OC(C)C)c(Nc2ccc(OC(C)C)c(Cl)c2)c1
Show InChI InChI=1S/C33H36ClN3O5/c1-6-40-33(39)26-20-37(19-23-10-8-7-9-11-23)32(38)18-28(26)35-25-13-15-31(42-22(4)5)29(17-25)36-24-12-14-30(27(34)16-24)41-21(2)3/h7-18,20-22,35-36H,6,19H2,1-5H3
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196195
PNG
(US9212130, I-072)
Show SMILES CCc1cnc(Nc2ccc(OC(C)C)c(F)c2)c(Oc2ccc(C)cc2)n1
Show InChI InChI=1S/C22H24FN3O2/c1-5-16-13-24-21(22(26-16)28-18-9-6-15(4)7-10-18)25-17-8-11-20(19(23)12-17)27-14(2)3/h6-14H,5H2,1-4H3,(H,24,25)
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196178
PNG
(US9212130, I-049)
Show SMILES CCOC(=O)c1cn(Cc2ccccc2)c(Nc2ccc(OC(C)C)c(Cl)c2)cc1=O
Show InChI InChI=1S/C24H25ClN2O4/c1-4-30-24(29)19-15-27(14-17-8-6-5-7-9-17)23(13-21(19)28)26-18-10-11-22(20(25)12-18)31-16(2)3/h5-13,15-16,26H,4,14H2,1-3H3
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196403
PNG
(US9212130, I-327)
Show SMILES CCC1(CC)C(=O)N\C(=N/c2ccc(OC(C)C)cc2)N(Cc2ccc(Cl)cc2)C1=O
Show InChI InChI=1S/C24H28ClN3O3/c1-5-24(6-2)21(29)27-23(26-19-11-13-20(14-12-19)31-16(3)4)28(22(24)30)15-17-7-9-18(25)10-8-17/h7-14,16H,5-6,15H2,1-4H3,(H,26,27,29)
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196163
PNG
(US9212130, I-001)
Show SMILES CC(C)Oc1ccc(Nc2[nH]c(=O)n(C)c(=O)c2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C21H21ClFN3O3/c1-12(2)29-18-9-8-15(11-17(18)23)24-19-16(20(27)26(3)21(28)25-19)10-13-4-6-14(22)7-5-13/h4-9,11-12,24H,10H2,1-3H3,(H,25,28)
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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196308
PNG
(US9212130, I-227)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)c3cc(ccc3n2Cc2ccc(Cl)cc2)C(F)(F)F)cc1Cl
Show InChI InChI=1S/C25H20Cl2F3N3O2/c1-14(2)35-22-10-8-18(12-20(22)27)31-24-32-23(34)19-11-16(25(28,29)30)5-9-21(19)33(24)13-15-3-6-17(26)7-4-15/h3-12,14H,13H2,1-2H3,(H,31,32,34)
PDB

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n/an/a 974n/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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM196283
PNG
(US9212130, I-190)
Show SMILES CNc1ncc(Nc2cccc(c2)C(F)(F)F)c(Cc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C19H16ClF3N4/c1-24-18-25-11-17(16(27-18)9-12-5-7-14(20)8-6-12)26-15-4-2-3-13(10-15)19(21,22)23/h2-8,10-11,26H,9H2,1H3,(H,24,25,27)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 990n/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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%