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Compile Data Set for Download or QSAR

Found 6778 hits of ic50 for UniProtKB: P56373   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM266736
PNG
(US9718790, I-2470)
Show SMILES Clc1ccc(Cn2c(=O)n(CCOC3CCCCO3)c(=O)[nH]\c2=N/c2ccc(Oc3ccsn3)cc2)cc1
Show InChI InChI=1S/C26H26ClN5O5S/c27-19-6-4-18(5-7-19)17-32-24(28-20-8-10-21(11-9-20)37-22-12-16-38-30-22)29-25(33)31(26(32)34)13-15-36-23-3-1-2-14-35-23/h4-12,16,23H,1-3,13-15,17H2,(H,28,29,33)
PDB

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UniChem
US Patent
n/an/a 0n/an/an/an/a7.5n/a



SHIONOGI & CO., LTD.

US Patent


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


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM50219120
PNG
(CHEMBL395493 | LVVYPWT)
Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C45H64N8O10/c1-23(2)19-31(46)39(56)50-37(25(5)6)43(60)51-36(24(3)4)42(59)49-34(20-27-14-16-29(55)17-15-27)44(61)53-18-10-13-35(53)41(58)48-33(40(57)52-38(26(7)54)45(62)63)21-28-22-47-32-12-9-8-11-30(28)32/h8-9,11-12,14-17,22-26,31,33-38,47,54-55H,10,13,18-21,46H2,1-7H3,(H,48,58)(H,49,59)(H,50,56)(H,51,60)(H,52,57)(H,62,63)/t26-,31+,33+,34+,35+,36+,37+,38+/m1/s1
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Similars

Article
PubMed
n/an/a 0.00830n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current by two electrode voltage cl...


J Med Chem 50: 4543-7 (2007)


Article DOI: 10.1021/jm070114m
BindingDB Entry DOI: 10.7270/Q25X29QC
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM50219120
PNG
(CHEMBL395493 | LVVYPWT)
Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C45H64N8O10/c1-23(2)19-31(46)39(56)50-37(25(5)6)43(60)51-36(24(3)4)42(59)49-34(20-27-14-16-29(55)17-15-27)44(61)53-18-10-13-35(53)41(58)48-33(40(57)52-38(26(7)54)45(62)63)21-28-22-47-32-12-9-8-11-30(28)32/h8-9,11-12,14-17,22-26,31,33-38,47,54-55H,10,13,18-21,46H2,1-7H3,(H,48,58)(H,49,59)(H,50,56)(H,51,60)(H,52,57)(H,62,63)/t26-,31+,33+,34+,35+,36+,37+,38+/m1/s1
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Article
PubMed
n/an/a 0.0481n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current in presence of ...


J Med Chem 50: 4543-7 (2007)


Article DOI: 10.1021/jm070114m
BindingDB Entry DOI: 10.7270/Q25X29QC
More data for this
Ligand-Target Pair
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)
PDB

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PC sid
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US Patent
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))
BDBM319931
PNG
(3-(5-Methyl- 1,3-thiazol-2- yl)-5- (tetrahydro- 2H...)
Show SMILES C[C@@H](NC(=O)c1cc(OCC2CCOCC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C24H25F3N4O3S/c1-14-10-28-22(35-14)18-7-17(8-20(9-18)34-13-16-3-5-33-6-4-16)21(32)31-15(2)19-11-29-23(30-12-19)24(25,26)27/h7-12,15-16H,3-6,13H2,1-2H3,(H,31,32)/t15-/m1/s1
PDB

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n/an/a 1n/an/an/an/an/an/a



Bayer Aktiengesellschaft

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10202369 (2019)

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)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 1n/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))
BDBM319931
PNG
(3-(5-Methyl- 1,3-thiazol-2- yl)-5- (tetrahydro- 2H...)
Show SMILES C[C@@H](NC(=O)c1cc(OCC2CCOCC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C24H25F3N4O3S/c1-14-10-28-22(35-14)18-7-17(8-20(9-18)34-13-16-3-5-33-6-4-16)21(32)31-15(2)19-11-29-23(30-12-19)24(25,26)27/h7-12,15-16H,3-6,13H2,1-2H3,(H,31,32)/t15-/m1/s1
PDB

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PC cid
PC sid
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US Patent
n/an/a 1n/an/an/an/an/an/a



Bayer Aktiengesellschaft

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10183937 (2019)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM266536
PNG
(US9718790, I-2288)
Show SMILES Clc1ccc(Cn2c(=O)n(CCOC3CCCCO3)c(=O)[nH]\c2=N/c2ccc(Oc3ccon3)cc2)cc1
Show InChI InChI=1S/C26H26ClN5O6/c27-19-6-4-18(5-7-19)17-32-24(28-20-8-10-21(11-9-20)38-22-12-15-37-30-22)29-25(33)31(26(32)34)13-16-36-23-3-1-2-14-35-23/h4-12,15,23H,1-3,13-14,16-17H2,(H,28,29,33)
PDB

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PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/a7.5n/a



SHIONOGI & CO., LTD.

US Patent


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


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM244381
PNG
(US9550763, Compound I-133)
Show SMILES Fc1ccc(Oc2ccc(Nc3ncc(NC(=O)C4CCOCC4)c(=O)n3Cc3ccc(Cl)cc3)cc2)nc1
Show InChI InChI=1S/C28H25ClFN5O4/c29-20-3-1-18(2-4-20)17-35-27(37)24(34-26(36)19-11-13-38-14-12-19)16-32-28(35)33-22-6-8-23(9-7-22)39-25-10-5-21(30)15-31-25/h1-10,15-16,19H,11-14,17H2,(H,32,33)(H,34,36)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 1n/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 US9550763 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM244385
PNG
(US9550763, Compound I-137)
Show SMILES Cc1ccc(Oc2ccc(Nc3ncc(NC(=O)C4CCOCC4)c(=O)n3Cc3ccc(Cl)cc3)cc2)nn1
Show InChI InChI=1S/C28H27ClN6O4/c1-18-2-11-25(34-33-18)39-23-9-7-22(8-10-23)31-28-30-16-24(32-26(36)20-12-14-38-15-13-20)27(37)35(28)17-19-3-5-21(29)6-4-19/h2-11,16,20H,12-15,17H2,1H3,(H,30,31)(H,32,36)
PDB

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PC cid
PC sid
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US Patent
n/an/a 1n/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 US9550763 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM266411
PNG
(US9718790, I-2241)
Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(NC(C)=O)nc3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C25H23ClN6O4/c1-3-31-24(34)30-23(32(25(31)35)15-17-4-6-18(26)7-5-17)29-19-8-10-20(11-9-19)36-21-12-13-22(27-14-21)28-16(2)33/h4-14H,3,15H2,1-2H3,(H,27,28,33)(H,29,30,34)
PDB

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PC sid
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US Patent
n/an/a 1n/an/an/an/a7.5n/a



SHIONOGI & CO., LTD.

US Patent


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


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM244280
PNG
(US9550763, Compound I-028)
Show SMILES CCn1c(=O)cc(Nc2ccc(Oc3cccc(n3)C(O)=O)c(C)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C26H23ClN4O5/c1-3-30-24(32)14-22(31(26(30)35)15-17-7-9-18(27)10-8-17)28-19-11-12-21(16(2)13-19)36-23-6-4-5-20(29-23)25(33)34/h4-14,28H,3,15H2,1-2H3,(H,33,34)
PDB

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PC sid
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US Patent
n/an/a 1n/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 US9550763 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM244285
PNG
(US9550763, Compound I-033)
Show SMILES CCn1c(=O)cc(Nc2ccc(Oc3cccc(n3)C(O)=O)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C25H20ClFN4O5/c1-2-30-23(32)13-21(31(25(30)35)14-15-6-8-16(26)9-7-15)28-17-10-11-20(18(27)12-17)36-22-5-3-4-19(29-22)24(33)34/h3-13,28H,2,14H2,1H3,(H,33,34)
PDB

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PC sid
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US Patent
n/an/a 1n/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 US9550763 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM266248
PNG
(US9718790, I-2183)
Show SMILES CCc1nc2ccc(cc2s1)\N=c1/[nH]c(=O)n(CCCCC(=O)OC)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C25H26ClN5O4S/c1-3-21-28-19-12-11-18(14-20(19)36-21)27-23-29-24(33)30(13-5-4-6-22(32)35-2)25(34)31(23)15-16-7-9-17(26)10-8-16/h7-12,14H,3-6,13,15H2,1-2H3,(H,27,29,33)
PDB

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PC sid
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US Patent
n/an/a 1n/an/an/an/a7.5n/a



SHIONOGI & CO., LTD.

US Patent


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


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM266301
PNG
(US9718790, I-2203)
Show SMILES CCCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(nc3)C(N)=O)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C25H23ClN6O4/c1-2-13-31-24(34)30-23(32(25(31)35)15-16-3-5-17(26)6-4-16)29-18-7-9-19(10-8-18)36-20-11-12-21(22(27)33)28-14-20/h3-12,14H,2,13,15H2,1H3,(H2,27,33)(H,29,30,34)
PDB

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US Patent
n/an/a 1n/an/an/an/a7.5n/a



SHIONOGI & CO., LTD.

US Patent


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


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM266170
PNG
(US9718790, I-2157)
Show SMILES CCCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(nc3)C(=O)OC)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C26H24ClN5O5/c1-3-14-31-25(34)30-24(32(26(31)35)16-17-4-6-18(27)7-5-17)29-19-8-10-20(11-9-19)37-21-12-13-22(28-15-21)23(33)36-2/h4-13,15H,3,14,16H2,1-2H3,(H,29,30,34)
PDB

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n/an/a 1n/an/an/an/a7.5n/a



SHIONOGI & CO., LTD.

US Patent


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


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM266215
PNG
(US9718790, I-2172)
Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(nc3)[N+]([O-])=O)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C23H19ClN6O5/c1-2-28-22(31)27-21(29(23(28)32)14-15-3-5-16(24)6-4-15)26-17-7-9-18(10-8-17)35-19-11-12-20(25-13-19)30(33)34/h3-13H,2,14H2,1H3,(H,26,27,31)
PDB

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n/an/a 1n/an/an/an/a7.5n/a



SHIONOGI & CO., LTD.

US Patent


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


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM266068
PNG
(US9718790, I-2113)
Show SMILES COC(=O)c1cc(Oc2ccc(cc2)\N=c2/[nH]c(=O)n(CCOC3CCCCO3)c(=O)n2Cc2ccc(Cl)cc2)no1
Show InChI InChI=1S/C28H28ClN5O8/c1-38-25(35)22-16-23(32-42-22)41-21-11-9-20(10-12-21)30-26-31-27(36)33(13-15-40-24-4-2-3-14-39-24)28(37)34(26)17-18-5-7-19(29)8-6-18/h5-12,16,24H,2-4,13-15,17H2,1H3,(H,30,31,36)
PDB

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PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/a7.5n/a



SHIONOGI & CO., LTD.

US Patent


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


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM266086
PNG
(US9718790, I-2119)
Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(nc3)C(N)=O)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C24H21ClN6O4/c1-2-30-23(33)29-22(31(24(30)34)14-15-3-5-16(25)6-4-15)28-17-7-9-18(10-8-17)35-19-11-12-20(21(26)32)27-13-19/h3-13H,2,14H2,1H3,(H2,26,32)(H,28,29,33)
PDB

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US Patent
n/an/a 1n/an/an/an/a7.5n/a



SHIONOGI & CO., LTD.

US Patent


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


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM266044
PNG
(US9718790, I-2105)
Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(nc3)C(=O)OC)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C25H22ClN5O5/c1-3-30-24(33)29-23(31(25(30)34)15-16-4-6-17(26)7-5-16)28-18-8-10-19(11-9-18)36-20-12-13-21(27-14-20)22(32)35-2/h4-14H,3,15H2,1-2H3,(H,28,29,33)
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Assay Description
Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM266955
PNG
(US9718790, I-2701)
Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(nn3)C(=O)OC)cc2)n(C[C@H]2CC[C@H](C)CC2)c1=O
Show InChI InChI=1S/C25H30N6O5/c1-4-30-24(33)27-23(31(25(30)34)15-17-7-5-16(2)6-8-17)26-18-9-11-19(12-10-18)36-21-14-13-20(28-29-21)22(32)35-3/h9-14,16-17H,4-8,15H2,1-3H3,(H,26,27,33)/t16-,17-
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SHIONOGI & CO., LTD.

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


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM266855
PNG
(US9718790, I-2593)
Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3cccc(n3)C(=O)NC#N)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C25H20ClN7O4/c1-2-32-24(35)31-23(33(25(32)36)14-16-6-8-17(26)9-7-16)29-18-10-12-19(13-11-18)37-21-5-3-4-20(30-21)22(34)28-15-27/h3-13H,2,14H2,1H3,(H,28,34)(H,29,31,35)
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Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM266759
PNG
(US9718790, I-2494)
Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3cccc(n3)C#N)cc2)n(C[C@H]2CC[C@H](C)CC2)c1=O
Show InChI InChI=1S/C25H28N6O3/c1-3-30-24(32)29-23(31(25(30)33)16-18-9-7-17(2)8-10-18)28-19-11-13-21(14-12-19)34-22-6-4-5-20(15-26)27-22/h4-6,11-14,17-18H,3,7-10,16H2,1-2H3,(H,28,29,32)/t17-,18-
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Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM266762
PNG
(US9718790, I-2497)
Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3cccc(n3)C(N)=O)cc2)n(C[C@H]2CC[C@H](C)CC2)c1=O
Show InChI InChI=1S/C25H30N6O4/c1-3-30-24(33)29-23(31(25(30)34)15-17-9-7-16(2)8-10-17)27-18-11-13-19(14-12-18)35-21-6-4-5-20(28-21)22(26)32/h4-6,11-14,16-17H,3,7-10,15H2,1-2H3,(H2,26,32)(H,27,29,33)/t16-,17-
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Assay Description
Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM266712
PNG
(US9718790, I-2446)
Show SMILES C[C@H]1CC[C@H](Cn2c(=O)n(C)c(=O)[nH]\c2=N/c2ccc(Oc3cccc(n3)C#N)cc2)CC1
Show InChI InChI=1S/C24H26N6O3/c1-16-6-8-17(9-7-16)15-30-22(28-23(31)29(2)24(30)32)27-18-10-12-20(13-11-18)33-21-5-3-4-19(14-25)26-21/h3-5,10-13,16-17H,6-9,15H2,1-2H3,(H,27,28,31)/t16-,17-
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Assay Description
Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM319931
PNG
(3-(5-Methyl- 1,3-thiazol-2- yl)-5- (tetrahydro- 2H...)
Show SMILES C[C@@H](NC(=O)c1cc(OCC2CCOCC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C24H25F3N4O3S/c1-14-10-28-22(35-14)18-7-17(8-20(9-18)34-13-16-3-5-33-6-4-16)21(32)31-15(2)19-11-29-23(30-12-19)24(25,26)27/h7-12,15-16H,3-6,13H2,1-2H3,(H,31,32)/t15-/m1/s1
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BEYER AKTIENGESELLSCHAFT

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10174016 (2019)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM266328
PNG
(US9718790, I-2212)
Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3cnc(cn3)C(=O)OC)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C24H21ClN6O5/c1-3-30-23(33)29-22(31(24(30)34)14-15-4-6-16(25)7-5-15)28-17-8-10-18(11-9-17)36-20-13-26-19(12-27-20)21(32)35-2/h4-13H,3,14H2,1-2H3,(H,28,29,33)
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Assay Description
Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM266331
PNG
(US9718790, I-2213)
Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccnc(NC(=O)NC4CC4)c3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C27H26ClN7O4/c1-2-34-26(37)33-24(35(27(34)38)16-17-3-5-18(28)6-4-17)30-19-9-11-21(12-10-19)39-22-13-14-29-23(15-22)32-25(36)31-20-7-8-20/h3-6,9-15,20H,2,7-8,16H2,1H3,(H,30,33,37)(H2,29,31,32,36)
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Assay Description
Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
p2x3


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


US Patent US10065941 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM266232
PNG
(US9718790, I-1432)
Show SMILES COC(=O)[C@@H](C)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccnc(O)c3)cc2)n(Cc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C27H27N5O6/c1-17-4-6-19(7-5-17)16-31-25(30-26(35)32(27(31)36)15-18(2)24(34)37-3)29-20-8-10-21(11-9-20)38-22-12-13-28-23(33)14-22/h4-14,18H,15-16H2,1-3H3,(H,28,33)(H,29,30,35)/t18-/m0/s1
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Assay Description
Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM266235
PNG
(US9718790, I-1434)
Show SMILES CCOC(=O)CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccnc(O)c3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C26H24ClN5O6/c1-2-37-23(34)12-14-31-25(35)30-24(32(26(31)36)16-17-3-5-18(27)6-4-17)29-19-7-9-20(10-8-19)38-21-11-13-28-22(33)15-21/h3-11,13,15H,2,12,14,16H2,1H3,(H,28,33)(H,29,30,35)
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SHIONOGI & CO., LTD.

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


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM266143
PNG
(US9718790, I-2148)
Show SMILES CCOC(=O)c1cnc(Oc2ccc(cc2)\N=c2/[nH]c(=O)n(CC)c(=O)n2Cc2ccc(Cl)cc2)s1
Show InChI InChI=1S/C24H22ClN5O5S/c1-3-29-22(32)28-21(30(24(29)33)14-15-5-7-16(25)8-6-15)27-17-9-11-18(12-10-17)35-23-26-13-19(36-23)20(31)34-4-2/h5-13H,3-4,14H2,1-2H3,(H,27,28,32)
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Assay Description
Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM266167
PNG
(US9718790, I-2156)
Show SMILES CCc1nc2ccc(cc2s1)\N=c1/[nH]c(=O)n(CCCCC(=O)OC)c(=O)n1Cc1ccc(C)cc1
Show InChI InChI=1S/C26H29N5O4S/c1-4-22-28-20-13-12-19(15-21(20)36-22)27-24-29-25(33)30(14-6-5-7-23(32)35-3)26(34)31(24)16-18-10-8-17(2)9-11-18/h8-13,15H,4-7,14,16H2,1-3H3,(H,27,29,33)
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Assay Description
Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM266047
PNG
(US9718790, I-2106)
Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(nc3)C(=O)OC)cc2)n(Cc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C26H25N5O5/c1-4-30-25(33)29-24(31(26(30)34)16-18-7-5-17(2)6-8-18)28-19-9-11-20(12-10-19)36-21-13-14-22(27-15-21)23(32)35-3/h5-15H,4,16H2,1-3H3,(H,28,29,33)
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Assay Description
Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM265753
PNG
(US9718790, I-1990)
Show SMILES CCOC(=O)CCn1c(=O)[nH]\c(=N/c2ccc3nc(C)sc3c2)n(CC2CCC(C)CC2)c1=O
Show InChI InChI=1S/C24H31N5O4S/c1-4-33-21(30)11-12-28-23(31)27-22(26-18-9-10-19-20(13-18)34-16(3)25-19)29(24(28)32)14-17-7-5-15(2)6-8-17/h9-10,13,15,17H,4-8,11-12,14H2,1-3H3,(H,26,27,31)
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Assay Description
Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM265683
PNG
(US9718790, I-1238)
Show SMILES CCOC(=O)CCCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccncc3)cc2)n(Cc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C28H29N5O5/c1-3-37-25(34)5-4-18-32-27(35)31-26(33(28(32)36)19-21-8-6-20(2)7-9-21)30-22-10-12-23(13-11-22)38-24-14-16-29-17-15-24/h6-17H,3-5,18-19H2,1-2H3,(H,30,31,35)
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Assay Description
Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM265705
PNG
(US9718790, I-1973)
Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(cc3)-c3ncn[nH]3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C26H22ClN7O3/c1-2-33-25(35)31-24(34(26(33)36)15-17-3-7-19(27)8-4-17)30-20-9-13-22(14-10-20)37-21-11-5-18(6-12-21)23-28-16-29-32-23/h3-14,16H,2,15H2,1H3,(H,28,29,32)(H,30,31,35)
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SHIONOGI & CO., LTD.

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


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM265587
PNG
(US9718790, I-1205)
Show SMILES CCOC(=O)CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccncc3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C26H24ClN5O5/c1-2-36-23(33)13-16-31-25(34)30-24(32(26(31)35)17-18-3-5-19(27)6-4-18)29-20-7-9-21(10-8-20)37-22-11-14-28-15-12-22/h3-12,14-15H,2,13,16-17H2,1H3,(H,29,30,34)
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Assay Description
Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM265448
PNG
(US9718790, I-1873)
Show SMILES COC(=O)CCCCn1c(=O)[nH]\c(=N/c2ccc(OC(C)C)c(Cl)c2)n(Cc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C26H31ClN4O5/c1-17(2)36-22-13-12-20(15-21(22)27)28-24-29-25(33)30(14-6-5-7-23(32)35-4)26(34)31(24)16-19-10-8-18(3)9-11-19/h8-13,15,17H,5-7,14,16H2,1-4H3,(H,28,29,33)
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Assay Description
Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM265118
PNG
(US9718790, I-1717)
Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccnc(c3)C(=O)NC)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C25H23ClN6O4/c1-3-31-24(34)30-23(32(25(31)35)15-16-4-6-17(26)7-5-16)29-18-8-10-19(11-9-18)36-20-12-13-28-21(14-20)22(33)27-2/h4-14H,3,15H2,1-2H3,(H,27,33)(H,29,30,34)
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Assay Description
Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM266899
PNG
(US9718790, I-2640)
Show SMILES Cc1ccc(Cn2c(=O)n(CCCO)c(=O)[nH]\c2=N/c2ccc(Oc3cccc(n3)C#N)cc2)cc1
Show InChI InChI=1S/C26H24N6O4/c1-18-6-8-19(9-7-18)17-32-24(30-25(34)31(26(32)35)14-3-15-33)29-20-10-12-22(13-11-20)36-23-5-2-4-21(16-27)28-23/h2,4-13,33H,3,14-15,17H2,1H3,(H,29,30,34)
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Assay Description
Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM266909
PNG
(US9718790, I-2651)
Show SMILES COC(=O)CCn1c(=O)[nH]\c(=N/c2ccc(Oc3nc(C)ns3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C23H21ClN6O5S/c1-14-25-22(36-28-14)35-18-9-7-17(8-10-18)26-20-27-21(32)29(12-11-19(31)34-2)23(33)30(20)13-15-3-5-16(24)6-4-15/h3-10H,11-13H2,1-2H3,(H,26,27,32)
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Assay Description
Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM266923
PNG
(US9718790, I-2666)
Show SMILES COC(=O)CCn1c(=O)[nH]\c(=N/c2ccc(Oc3cccc(n3)C#N)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C26H21ClN6O5/c1-37-23(34)13-14-32-25(35)31-24(33(26(32)36)16-17-5-7-18(27)8-6-17)30-19-9-11-21(12-10-19)38-22-4-2-3-20(15-28)29-22/h2-12H,13-14,16H2,1H3,(H,30,31,35)
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Assay Description
Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM266936
PNG
(US9718790, I-2682)
Show SMILES COC(=O)CCn1c(=O)[nH]\c(=N/c2ccc(Oc3cccc(n3)C(N)=O)cc2)n(Cc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C27H26N6O6/c1-17-6-8-18(9-7-17)16-33-25(31-26(36)32(27(33)37)15-14-23(34)38-2)29-19-10-12-20(13-11-19)39-22-5-3-4-21(30-22)24(28)35/h3-13H,14-16H2,1-2H3,(H2,28,35)(H,29,31,36)
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Assay Description
Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM266938
PNG
(US9718790, I-2684)
Show SMILES COC(=O)CCn1c(=O)[nH]\c(=N/c2ccc(Oc3cccc(n3)C(N)=O)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C26H23ClN6O6/c1-38-22(34)13-14-32-25(36)31-24(33(26(32)37)15-16-5-7-17(27)8-6-16)29-18-9-11-19(12-10-18)39-21-4-2-3-20(30-21)23(28)35/h2-12H,13-15H2,1H3,(H2,28,35)(H,29,31,36)
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Assay Description
Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM266961
PNG
(US9718790, I-2708)
Show SMILES Cc1nsc(Oc2ccc(cc2F)\N=c2/[nH]c(=O)n(C[C@H](O)CO)c(=O)n2Cc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C22H20ClFN6O5S/c1-12-25-21(36-28-12)35-18-7-6-15(8-17(18)24)26-19-27-20(33)30(10-16(32)11-31)22(34)29(19)9-13-2-4-14(23)5-3-13/h2-8,16,31-32H,9-11H2,1H3,(H,26,27,33)/t16-/m0/s1
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Assay Description
Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM266864
PNG
(US9718790, I-2602)
Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3cccc(n3)-c3nnn[nH]3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C24H20ClN9O3/c1-2-33-23(35)28-22(34(24(33)36)14-15-6-8-16(25)9-7-15)26-17-10-12-18(13-11-17)37-20-5-3-4-19(27-20)21-29-31-32-30-21/h3-13H,2,14H2,1H3,(H,26,28,35)(H,29,30,31,32)
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Assay Description
Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM266870
PNG
(US9718790, I-2609)
Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ncc(s3)C(N)=O)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C22H19ClN6O4S/c1-2-28-20(31)27-19(29(22(28)32)12-13-3-5-14(23)6-4-13)26-15-7-9-16(10-8-15)33-21-25-11-17(34-21)18(24)30/h3-11H,2,12H2,1H3,(H2,24,30)(H,26,27,31)
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Assay Description
Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM266892
PNG
(US9718790, I-2633)
Show SMILES COC(=O)CCn1c(=O)[nH]\c(=N/c2ccc(Oc3cccc(n3)C#N)cc2)n(Cc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C27H24N6O5/c1-18-6-8-19(9-7-18)17-33-25(31-26(35)32(27(33)36)15-14-24(34)37-2)30-20-10-12-22(13-11-20)38-23-5-3-4-21(16-28)29-23/h3-13H,14-15,17H2,1-2H3,(H,30,31,35)
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Assay Description
Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM266895
PNG
(US9718790, I-2636)
Show SMILES COC(=O)CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(cn3)C#N)cc2)n(Cc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C27H24N6O5/c1-18-3-5-19(6-4-18)17-33-25(31-26(35)32(27(33)36)14-13-24(34)37-2)30-21-8-10-22(11-9-21)38-23-12-7-20(15-28)16-29-23/h3-12,16H,13-14,17H2,1-2H3,(H,30,31,35)
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Assay Description
Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...


US Patent US9718790 (2017)

More data for this
Ligand-Target Pair
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