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Compile Data Set for Download or QSAR

Found 560 hits Enz. Inhib. hit(s) with all data for entry = 1644   
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))
BDBM271938
PNG
(US10065941, Compound R-256 | US9732060, Compound R...)
Show SMILES NC(=O)NC(=O)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccccn3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C24H20ClN7O5/c25-16-6-4-15(5-7-16)13-31-22(30-23(35)32(24(31)36)14-19(33)29-21(26)34)28-17-8-10-18(11-9-17)37-20-3-1-2-12-27-20/h1-12H,13-14H2,(H,28,30,35)(H3,26,29,33,34)
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 US9732060 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8506
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM272046
PNG
(US10065941, Compound I-267 | US9732060, Compound I...)
Show SMILES COC(=O)[C@@H](C)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(cn3)C(C)=O)cc2)n(Cc2ccc(C)cc2)c1=O |r|
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 US9732060 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8506
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM272047
PNG
(US10065941, Compound I-268 | US9732060, Compound I...)
Show SMILES COC(=O)[C@@H](C)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccccn3)cc2)n(CC2CC3(CCC3)C2)c1=O |r|
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 US9732060 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8506
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271997
PNG
(US10065941, Compound R-303 | US9732060, Compound R...)
Show SMILES COC(=O)CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(cn3)C(C)=O)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C27H24ClN5O6/c1-17(34)19-5-12-23(29-15-19)39-22-10-8-21(9-11-22)30-25-31-26(36)32(14-13-24(35)38-2)27(37)33(25)16-18-3-6-20(28)7-4-18/h3-12,15H,13-14,16H2,1-2H3,(H,30,31,36)
PDB

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SHIONOGI & CO., LTD.

US Patent


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


US Patent US9732060 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8506
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM272015
PNG
(US10065941, Compound R-313 | US9732060, Compound R...)
Show SMILES CCOC(=O)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(cn3)C#N)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C26H21ClN6O5/c1-2-37-23(34)16-33-25(35)31-24(32(26(33)36)15-17-3-6-19(27)7-4-17)30-20-8-10-21(11-9-20)38-22-12-5-18(13-28)14-29-22/h3-12,14H,2,15-16H2,1H3,(H,30,31,35)
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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 US9732060 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8506
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271639
PNG
(US10065941, Compound I-140 | US9732060, Compound I...)
Show SMILES COC(=O)[C@H](C)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccccn3)cc2)n(Cc2ccc(C)cc2)c1=O |r|
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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 US9732060 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8506
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271911
PNG
(US10065941, Compound R-226 | US9732060, Compound R...)
Show SMILES COC(=O)CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccccn3)cc2)n(Cc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C26H25N5O5/c1-18-6-8-19(9-7-18)17-31-24(29-25(33)30(26(31)34)16-14-23(32)35-2)28-20-10-12-21(13-11-20)36-22-5-3-4-15-27-22/h3-13,15H,14,16-17H2,1-2H3,(H,28,29,33)
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SHIONOGI & CO., LTD.

US Patent


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


US Patent US9732060 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8506
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271918
PNG
(US10065941, Compound R-234 | US9732060, Compound R...)
Show SMILES CC1(C)OC[C@H](Cn2c(=O)[nH]\c(=N/c3ccc(Oc4ccccn4)cc3)n(Cc3ccc(Cl)cc3)c2=O)O1 |r|
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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 US9732060 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8506
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271936
PNG
(US10065941, Compound R-254 | US9732060, Compound R...)
Show SMILES OCC(=C)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccccn3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C25H22ClN5O4/c1-17(16-32)14-31-24(33)29-23(30(25(31)34)15-18-5-7-19(26)8-6-18)28-20-9-11-21(12-10-20)35-22-4-2-3-13-27-22/h2-13,32H,1,14-16H2,(H,28,29,33)
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SHIONOGI & CO., LTD.

US Patent


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


US Patent US9732060 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8506
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271946
PNG
(US10065941, Compound I-203 | US9732060, Compound I...)
Show SMILES CO[C@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccccn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(=O)OC |r|
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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 US9732060 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8506
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271521
PNG
(US10065941, Compound I-022 | US9732060, Compound I...)
Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(OC(F)F)cn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r|
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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 US9732060 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8506
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271541
PNG
(US10065941, Compound I-042 | US9732060, Compound I...)
Show SMILES OCC1(Cn2c(=O)[nH]\c(=N/c3ccc(Oc4cccc(F)n4)cc3)n(Cc3ccc(Cl)cc3)c2=O)COC1
Show InChI InChI=1S/C26H23ClFN5O5/c27-18-6-4-17(5-7-18)12-32-23(31-24(35)33(25(32)36)13-26(14-34)15-37-16-26)29-19-8-10-20(11-9-19)38-22-3-1-2-21(28)30-22/h1-11,34H,12-16H2,(H,29,31,35)
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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 US9732060 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8506
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271984
PNG
(US10065941, Compound I-222 | US9732060, Compound I...)
Show SMILES COC(=O)[C@@H](C)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(OC)cn3)cc2)n(Cc2ccc(C)cc2)c1=O |r|
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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 US9732060 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8506
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM272037
PNG
(US10065941, Compound I-258 | US9732060, Compound I...)
Show SMILES CCc1ccc(Oc2ccc(cc2)\N=c2/[nH]c(=O)n(C[C@H](C)C(O)=O)c(=O)n2Cc2ccc(Cl)cc2)nc1 |r|
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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 US9732060 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8506
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM272048
PNG
(US10065941, Compound I-269 | US9732060, Compound I...)
Show SMILES COC(=O)[C@@H](C)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(F)cn3)cc2)n(CC2CC3(CCC3)C2)c1=O |r|
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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 US9732060 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8506
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM272049
PNG
(US10065941, Compound I-270 | US9732060, Compound I...)
Show SMILES CCc1ccc(Oc2ccc(cc2)\N=c2/[nH]c(=O)n(C[C@H](C)C(=O)OC)c(=O)n2Cc2ccc(C)cc2)nc1 |r|
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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 US9732060 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8506
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271599
PNG
(US10065941, Compound I-100 | US9732060, Compound I...)
Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(Cl)cn3)cc2)n(Cc2ccc(C)cc2)c1=O)C(O)=O |r|
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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 US9732060 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8506
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271607
PNG
(US10065941, Compound I-108 | US9732060, Compound I...)
Show SMILES COC(=O)[C@@H](C)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(C)cn3)cc2)n(Cc2ccc(C)cc2)c1=O |r|
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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 US9732060 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8506
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271609
PNG
(US10065941, Compound I-110 | US9732060, Compound I...)
Show SMILES COC(=O)C(C)(C)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(C)cn3)cc2)n(Cc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C29H31N5O5/c1-19-6-9-21(10-7-19)17-33-26(32-27(36)34(28(33)37)18-29(3,4)25(35)38-5)31-22-11-13-23(14-12-22)39-24-15-8-20(2)16-30-24/h6-16H,17-18H2,1-5H3,(H,31,32,36)
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SHIONOGI & CO., LTD.

US Patent


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


US Patent US9732060 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8506
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271611
PNG
(US10065941, Compound I-112 | US9732060, Compound I...)
Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(C)cn3)cc2)n(Cc2ccc(C)cc2)c1=O)C(O)=O |r|
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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 US9732060 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8506
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271621
PNG
(US10065941, Compound I-122 | US9732060, Compound I...)
Show SMILES CO[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3cccc(F)n3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(=O)OC |r|
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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 US9732060 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8506
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271626
PNG
(US10065941, Compound I-127 | US9732060, Compound I...)
Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccccn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r|
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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 US9732060 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8506
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271535
PNG
(US10065941, Compound I-036 | US10065941, Compound ...)
Show SMILES COC(=O)[C@@H](C)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(F)cn3)cc2)n(Cc2ccc(C)cc2)c1=O |r|
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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 US9732060 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8506
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM272054
PNG
(US10065941, Compound I-275 | US9732060, Compound I...)
Show SMILES CCc1ccc(Oc2ccc(cc2)\N=c2/[nH]c(=O)n(C[C@H](C)C(O)=O)c(=O)n2Cc2ccc(C)cc2)nc1 |r|
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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 US9732060 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8506
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM272056
PNG
(US10065941, Compound I-277 | US9732060, Compound I...)
Show SMILES COC(=O)[C@@H](C)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(cn3)S(C)(=O)=O)cc2)n(Cc2ccc(Cl)cc2)c1=O |r|
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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 US9732060 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8506
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271977
PNG
(US10065941, Compound R-293 | US9732060, Compound R...)
Show SMILES COC(=O)CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccccn3)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C25H21ClFN5O5/c1-36-22(33)11-13-31-24(34)30-23(32(25(31)35)15-16-5-7-17(26)8-6-16)29-18-9-10-20(19(27)14-18)37-21-4-2-3-12-28-21/h2-10,12,14H,11,13,15H2,1H3,(H,29,30,34)
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SHIONOGI & CO., LTD.

US Patent


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


US Patent US9732060 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8506
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271999
PNG
(US10065941, Compound R-304 | US9732060, Compound R...)
Show SMILES COC(=O)CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(cn3)C(C)O)cc2)n(Cc2ccc(Cl)cc2)c1=O
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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 US9732060 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8506
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM272007
PNG
(US10065941, Compound R-309 | US9732060, Compound R...)
Show SMILES CCOC(=O)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(F)cn3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C25H21ClFN5O5/c1-2-36-22(33)15-32-24(34)30-23(31(25(32)35)14-16-3-5-17(26)6-4-16)29-19-8-10-20(11-9-19)37-21-12-7-18(27)13-28-21/h3-13H,2,14-15H2,1H3,(H,29,30,34)
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SHIONOGI & CO., LTD.

US Patent


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


US Patent US9732060 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8506
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM272009
PNG
(US10065941, Compound R-310 | US9732060, Compound R...)
Show SMILES CCOC(=O)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(Cl)cn3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C25H21Cl2N5O5/c1-2-36-22(33)15-32-24(34)30-23(31(25(32)35)14-16-3-5-17(26)6-4-16)29-19-8-10-20(11-9-19)37-21-12-7-18(27)13-28-21/h3-13H,2,14-15H2,1H3,(H,29,30,34)
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SHIONOGI & CO., LTD.

US Patent


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


US Patent US9732060 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8506
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(RAT)
BDBM271665
PNG
(US10065941, Compound R-009 | US9732060, Compound R...)
Show SMILES COc1cc(Oc2ccc(cc2)\N=c2/[nH]c(=O)n([C@@H](C)[C@@H](C)C(O)=O)c(=O)n2Cc2ccc(Cl)cc2)ccn1 |r|
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SHIONOGI & CO., LTD.

US Patent


Assay Description
Rat P2X3 receptor gene (GenBank accession number NM_031075) was expressed in C6BU-1 cell. The C6BU-1 cells were seeded in a 96-well microtiter plate ...


US Patent US9732060 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8506
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271634
PNG
(US10065941, Compound I-135 | US9732060, Compound I...)
Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(OC(F)F)cn3)cc2)n(Cc2ccc(C)cc2)c1=O)C(O)=O |r|
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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 US9732060 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8506
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271649
PNG
(US10065941, Compound I-150 | US9732060, Compound I...)
Show SMILES COC(=O)C(C)(C)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccccn3)cc2)n(Cc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C28H29N5O5/c1-19-8-10-20(11-9-19)17-32-25(31-26(35)33(27(32)36)18-28(2,3)24(34)37-4)30-21-12-14-22(15-13-21)38-23-7-5-6-16-29-23/h5-16H,17-18H2,1-4H3,(H,30,31,35)
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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 US9732060 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8506
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271655
PNG
(US10065941, Compound R-003 | US9732060, Compound R...)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(Oc2ccc(cc2)\N=c2/[nH]c(=O)[nH]c(=O)n2Cc2ccc(Cl)cc2)nc1
Show InChI InChI=1S/C28H20ClN5O5/c29-21-7-4-17(5-8-21)16-34-26(32-27(37)33-28(34)38)31-22-9-11-23(12-10-22)39-24-13-6-20(15-30-24)18-2-1-3-19(14-18)25(35)36/h1-15H,16H2,(H,35,36)(H2,31,32,33,37,38)
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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 US9732060 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8506
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM334479
PNG
(US9732060, Compound R-006)
Show SMILES Cc1ccc(Cn2c(=O)n(C)c(=O)[nH]\c2=N/c2ccc(Oc3cccc(n3)C(=O)Nc3ccc(cc3)C(O)=O)cc2)cc1
Show InChI InChI=1S/C31H26N6O6/c1-19-6-8-20(9-7-19)18-37-29(35-30(41)36(2)31(37)42)33-23-14-16-24(17-15-23)43-26-5-3-4-25(34-26)27(38)32-22-12-10-21(11-13-22)28(39)40/h3-17H,18H2,1-2H3,(H,32,38)(H,39,40)(H,33,35,41)
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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 US9732060 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8506
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271711
PNG
(US10065941, Compound R-032 | US9732060, Compound R...)
Show SMILES COc1cc(Oc2ccc(cc2)\N=c2/[nH]c(=O)n(C[C@H](C)C(O)=O)c(=O)n2Cc2ccc(Cl)cc2)ccn1 |r|
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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 US9732060 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8506
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271749
PNG
(US10065941, Compound R-058 | US9732060, Compound R...)
Show SMILES COc1cc(Oc2ccc(cc2)\N=c2/[nH]c(=O)n(C[C@H](C)C(O)=O)c(=O)n2Cc2ccc(Cl)cc2)cc(F)n1 |r|
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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 US9732060 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8506
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271788
PNG
(US10065941, Compound R-099 | US9732060, Compound R...)
Show SMILES COC(=O)[C@@H](C)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccnc(c3)C#N)cc2)n(Cc2ccc(Cl)cc2)c1=O |r|
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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 US9732060 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8506
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271877
PNG
(US10065941, Compound R-192 | US9732060, Compound R...)
Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3nc4ccccc4s3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r|
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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 US9732060 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8506
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271910
PNG
(US10065941, Compound R-225 | US9732060, Compound R...)
Show SMILES COC(=O)CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccccn3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C25H22ClN5O5/c1-35-22(32)13-15-30-24(33)29-23(31(25(30)34)16-17-5-7-18(26)8-6-17)28-19-9-11-20(12-10-19)36-21-4-2-3-14-27-21/h2-12,14H,13,15-16H2,1H3,(H,28,29,33)
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SHIONOGI & CO., LTD.

US Patent


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


US Patent US9732060 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8506
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271920
PNG
(US10065941, Compound R-236 | US9732060, Compound R...)
Show SMILES CC1(C)OCC(C)(Cn2c(=O)[nH]\c(=N/c3ccc(Oc4ccccn4)cc3)n(Cc3ccc(Cl)cc3)c2=O)CO1
Show InChI InChI=1S/C29H30ClN5O5/c1-28(2)38-18-29(3,19-39-28)17-35-26(36)33-25(34(27(35)37)16-20-7-9-21(30)10-8-20)32-22-11-13-23(14-12-22)40-24-6-4-5-15-31-24/h4-15H,16-19H2,1-3H3,(H,32,33,36)
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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 US9732060 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8506
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271927
PNG
(US10065941, Compound R-243 | US9732060, Compound R...)
Show SMILES FC(F)(F)CNC(=O)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccccn3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C25H20ClF3N6O4/c26-17-6-4-16(5-7-17)13-34-22(32-18-8-10-19(11-9-18)39-21-3-1-2-12-30-21)33-23(37)35(24(34)38)14-20(36)31-15-25(27,28)29/h1-12H,13-15H2,(H,31,36)(H,32,33,37)
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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 US9732060 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8506
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271928
PNG
(US10065941, Compound R-244 | US9732060, Compound R...)
Show SMILES CC(CO)(CO)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccccn3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C26H26ClN5O5/c1-26(16-33,17-34)15-32-24(35)30-23(31(25(32)36)14-18-5-7-19(27)8-6-18)29-20-9-11-21(12-10-20)37-22-4-2-3-13-28-22/h2-13,33-34H,14-17H2,1H3,(H,29,30,35)
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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 US9732060 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8506
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271929
PNG
(US10065941, Compound R-245 | US9732060, Compound R...)
Show SMILES CC1(C)OCC(Cn2c(=O)[nH]\c(=N/c3ccc(Oc4ccccn4)cc3)n(Cc3ccc(Cl)cc3)c2=O)CO1
Show InChI InChI=1S/C28H28ClN5O5/c1-28(2)37-17-20(18-38-28)16-34-26(35)32-25(33(27(34)36)15-19-6-8-21(29)9-7-19)31-22-10-12-23(13-11-22)39-24-5-3-4-14-30-24/h3-14,20H,15-18H2,1-2H3,(H,31,32,35)
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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 US9732060 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8506
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271975
PNG
(US10065941, Compound R-292 | US9732060, Compound R...)
Show SMILES COC(=O)CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccccn3)c(F)c2)n(Cc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C26H24FN5O5/c1-17-6-8-18(9-7-17)16-32-24(30-25(34)31(26(32)35)14-12-23(33)36-2)29-19-10-11-21(20(27)15-19)37-22-5-3-4-13-28-22/h3-11,13,15H,12,14,16H2,1-2H3,(H,29,30,34)
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SHIONOGI & CO., LTD.

US Patent


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


US Patent US9732060 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8506
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271948
PNG
(US10065941, Compound I-204 | US10065941, Compound ...)
Show SMILES COC(=O)[C@@H](C)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccccn3)c(F)c2)n(Cc2ccc(C)cc2)c1=O |r|
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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 US9732060 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8506
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271926
PNG
(US10065941, Compound R-242 | US9732060, Compound R...)
Show SMILES OCCNC(=O)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccccn3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C25H23ClN6O5/c26-18-6-4-17(5-7-18)15-31-23(30-24(35)32(25(31)36)16-21(34)27-13-14-33)29-19-8-10-20(11-9-19)37-22-3-1-2-12-28-22/h1-12,33H,13-16H2,(H,27,34)(H,29,30,35)
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 US9732060 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8506
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271931
PNG
(US10065941, Compound R-247 | US9732060, Compound R...)
Show SMILES CC1(C)OC[C@@H](Cn2c(=O)[nH]\c(=N/c3ccc(Oc4ccccn4)cc3)n(Cc3ccc(Cl)cc3)c2=O)O1 |r|
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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 US9732060 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8506
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271932
PNG
(US10065941, Compound R-248 | US9732060, Compound R...)
Show SMILES Clc1ccc(Cn2c(=O)n(CCCOC3CCCCO3)c(=O)[nH]\c2=N/c2ccc(Oc3ccccn3)cc2)cc1
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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 US9732060 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8506
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271935
PNG
(US10065941, Compound R-251 | US9732060, Compound R...)
Show SMILES OCCCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccccn3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C24H22ClN5O4/c25-18-7-5-17(6-8-18)16-30-22(28-23(32)29(24(30)33)14-3-15-31)27-19-9-11-20(12-10-19)34-21-4-1-2-13-26-21/h1-2,4-13,31H,3,14-16H2,(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 US9732060 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8506
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM271501
PNG
(US10065941, Compound I-002 | US9732060, Compound I...)
Show SMILES C[C@H]([C@H](C)n1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(F)cn3)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r|
PDB

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PC sid
UniChem
US Patent
n/an/a 5n/an/an/an/an/an/a



SHIONOGI & CO., LTD.

US Patent


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


US Patent US9732060 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8506
More data for this
Ligand-Target Pair
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