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Compile Data Set for Download or QSAR

Found 163 hits of ic50 data for polymerid = 49000983   
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


(RAT)		BDBM50257829
PNG
(2-(4-amino-5-(5-iodo-2-isopropyl-4-methoxyphenoxy)...)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NC(CO)CO)nc2N)cc1I
Show InChI InChI=1S/C17H23IN4O4/c1-9(2)11-4-14(25-3)12(18)5-13(11)26-15-6-20-17(22-16(15)19)21-10(7-23)8-24/h4-6,9-10,23-24H,7-8H2,1-3H3,(H3,19,20,21,22)
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n/an/a 2n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X3 receptor expressed in CHO cells by FLIPR

Bioorg Med Chem Lett 19: 1632-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.097
BindingDB Entry DOI: 10.7270/Q2DN44ZM
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(RAT)		BDBM266545
PNG
(US9718790, I-2291)
Show SMILES OCC(CO)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccon3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C23H22ClN5O6/c24-17-3-1-15(2-4-17)11-28-21(26-22(32)29(23(28)33)12-16(13-30)14-31)25-18-5-7-19(8-6-18)35-20-9-10-34-27-20/h1-10,16,30-31H,11-14H2,(H,25,26,32)
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n/an/a 3n/an/an/an/a7.5n/a



SHIONOGI & CO., LTD.

US Patent


Assay Description
Rat P2X3 receptor gene (GenBank accession number NM_031075) was expressed in C6BU-1 cell. The cells stably expressing rat P2X3 were seeded in a 96-we...

US Patent US9718790 (2017)


BindingDB Entry DOI: 10.7270/Q22809KB
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(RAT)		BDBM50580225
PNG
(CHEMBL5084053)
Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccnc(F)c3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r|
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TBA

Assay Description
Antagonist activity at rat P2X3 receptor

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128384
BindingDB Entry DOI: 10.7270/Q2S46WTX
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 US10065941 (2018)


BindingDB Entry DOI: 10.7270/Q28P62J8
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(RAT)		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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TBA

Assay Description
Antagonist activity at rat P2X3 receptor

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128384
BindingDB Entry DOI: 10.7270/Q2S46WTX
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


(RAT)		BDBM265250
PNG
(US9718790, I-1788)
Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccnc(c3)C(O)=O)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C24H20ClN5O5/c1-2-29-23(33)28-22(30(24(29)34)14-15-3-5-16(25)6-4-15)27-17-7-9-18(10-8-17)35-19-11-12-26-20(13-19)21(31)32/h3-13H,2,14H2,1H3,(H,31,32)(H,27,28,33)
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US Patent


Assay Description
Rat P2X3 receptor gene (GenBank accession number NM_031075) was expressed in C6BU-1 cell. The cells stably expressing rat P2X3 were seeded in a 96-we...

US Patent US9718790 (2017)


BindingDB Entry DOI: 10.7270/Q22809KB
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(RAT)		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|
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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


(RAT)		BDBM271675
PNG
(US10065941, Compound R-014 | US9732060, Compound R...)
Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3cnc(Cl)cn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r|
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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 US10065941 (2018)


BindingDB Entry DOI: 10.7270/Q28P62J8
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(RAT)		BDBM265052
PNG
(US9718790, I-1679)
Show SMILES Cc1nc2ccc(cc2s1)\N=c1/[nH]c(=O)n(CCO)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C20H18ClN5O3S/c1-12-22-16-7-6-15(10-17(16)30-12)23-18-24-19(28)25(8-9-27)20(29)26(18)11-13-2-4-14(21)5-3-13/h2-7,10,27H,8-9,11H2,1H3,(H,23,24,28)
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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 cells stably expressing rat P2X3 were seeded in a 96-we...

US Patent US9718790 (2017)


BindingDB Entry DOI: 10.7270/Q22809KB
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(RAT)		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|
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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 US10065941 (2018)


BindingDB Entry DOI: 10.7270/Q28P62J8
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(RAT)		BDBM50563052
PNG
(CHEMBL4748113)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CCC(O)=O)c(=O)n2Cc2ccc(C)cc2)cc1Cl
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n/an/a 6.10n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at rat P2X3 receptor

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128384
BindingDB Entry DOI: 10.7270/Q2S46WTX
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(RAT)		BDBM50413370
PNG
(CHEMBL495204)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C#C
Show InChI InChI=1S/C16H18N4O2/c1-5-10-6-13(11(9(2)3)7-12(10)21-4)22-14-8-19-16(18)20-15(14)17/h1,6-9H,2-4H3,(H4,17,18,19,20)
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n/an/a 6.30n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X3 receptor expressed in CHO cells by FLIPR assay

Bioorg Med Chem Lett 19: 1628-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.003
BindingDB Entry DOI: 10.7270/Q29023NX
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(RAT)		BDBM50413367
PNG
(CHEMBL523173)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NC(C)CO)nc2N)cc1I
Show InChI InChI=1S/C17H23IN4O3/c1-9(2)11-5-14(24-4)12(18)6-13(11)25-15-7-20-17(22-16(15)19)21-10(3)8-23/h5-7,9-10,23H,8H2,1-4H3,(H3,19,20,21,22)
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n/an/a 6.30n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X3 receptor expressed in CHO cells by FLIPR

Bioorg Med Chem Lett 19: 1632-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.097
BindingDB Entry DOI: 10.7270/Q2DN44ZM
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(RAT)		BDBM50413347
PNG
(CHEMBL494353)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NCC(CO)CO)nc2N)cc1I
Show InChI InChI=1S/C18H25IN4O4/c1-10(2)12-4-15(26-3)13(19)5-14(12)27-16-7-22-18(23-17(16)20)21-6-11(8-24)9-25/h4-5,7,10-11,24-25H,6,8-9H2,1-3H3,(H3,20,21,22,23)
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n/an/a 6.30n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X3 receptor expressed in CHO cells by FLIPR

Bioorg Med Chem Lett 19: 1632-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.097
BindingDB Entry DOI: 10.7270/Q2DN44ZM
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(RAT)		BDBM50580221
PNG
(CHEMBL5073093)
Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccsn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r|
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n/an/a 7.70n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at rat P2X3 receptor

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128384
BindingDB Entry DOI: 10.7270/Q2S46WTX
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(RAT)		BDBM50413346
PNG
(CHEMBL494160)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NCC(O)CO)nc2N)cc1I
Show InChI InChI=1S/C17H23IN4O4/c1-9(2)11-4-14(25-3)12(18)5-13(11)26-15-7-21-17(22-16(15)19)20-6-10(24)8-23/h4-5,7,9-10,23-24H,6,8H2,1-3H3,(H3,19,20,21,22)
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n/an/a 7.90n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X3 receptor expressed in CHO cells by FLIPR

Bioorg Med Chem Lett 19: 1632-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.097
BindingDB Entry DOI: 10.7270/Q2DN44ZM
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(RAT)		BDBM271721
PNG
(US10065941, Compound R-037 | US9732060, Compound R...)
Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3cccnn3)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |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 US10065941 (2018)


BindingDB Entry DOI: 10.7270/Q28P62J8
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(RAT)		BDBM271685
PNG
(US10065941, Compound R-019 | US9732060, Compound R...)
Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3cnccn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |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 US10065941 (2018)


BindingDB Entry DOI: 10.7270/Q28P62J8
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(RAT)		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
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 US10065941 (2018)


BindingDB Entry DOI: 10.7270/Q28P62J8
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(RAT)		BDBM271539
PNG
(US10065941, Compound I-040 | US10065941, Compound ...)
Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(F)cn3)cc2)n(Cc2ccc(C)cc2)c1=O)C(O)=O |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 US10065941 (2018)


BindingDB Entry DOI: 10.7270/Q28P62J8
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(RAT)		BDBM50413349
PNG
(CHEMBL494582)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NCC(C)(CO)CO)nc2N)cc1I
Show InChI InChI=1S/C19H27IN4O4/c1-11(2)12-5-15(27-4)13(20)6-14(12)28-16-7-22-18(24-17(16)21)23-8-19(3,9-25)10-26/h5-7,11,25-26H,8-10H2,1-4H3,(H3,21,22,23,24)
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n/an/a 10n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X3 receptor expressed in CHO cells by FLIPR

Bioorg Med Chem Lett 19: 1632-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.097
BindingDB Entry DOI: 10.7270/Q2DN44ZM
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(RAT)		BDBM50413364
PNG
(CHEMBL492300)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NCCO)nc2N)cc1I
Show InChI InChI=1S/C16H21IN4O3/c1-9(2)10-6-13(23-3)11(17)7-12(10)24-14-8-20-16(19-4-5-22)21-15(14)18/h6-9,22H,4-5H2,1-3H3,(H3,18,19,20,21)
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n/an/a 10n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X3 receptor expressed in CHO cells by FLIPR

Bioorg Med Chem Lett 19: 1632-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.097
BindingDB Entry DOI: 10.7270/Q2DN44ZM
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(RAT)		BDBM50413356
PNG
(CHEMBL492933)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NCCNC(C)=O)nc2N)cc1I
Show InChI InChI=1S/C18H24IN5O3/c1-10(2)12-7-15(26-4)13(19)8-14(12)27-16-9-23-18(24-17(16)20)22-6-5-21-11(3)25/h7-10H,5-6H2,1-4H3,(H,21,25)(H3,20,22,23,24)
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n/an/a 10n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X3 receptor expressed in CHO cells by FLIPR

Bioorg Med Chem Lett 19: 1632-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.097
BindingDB Entry DOI: 10.7270/Q2DN44ZM
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(RAT)		BDBM50257636
PNG
(5-(5-iodo-2-isopropyl-4-methoxyphenoxy)pyrimidine-...)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1I
Show InChI InChI=1S/C14H17IN4O2/c1-7(2)8-4-11(20-3)9(15)5-10(8)21-12-6-18-14(17)19-13(12)16/h4-7H,1-3H3,(H4,16,17,18,19)
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n/an/a 10n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X3 receptor expressed in CHO cells by FLIPR

Bioorg Med Chem Lett 19: 1632-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.097
BindingDB Entry DOI: 10.7270/Q2DN44ZM
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(RAT)		BDBM50413367
PNG
(CHEMBL523173)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NC(C)CO)nc2N)cc1I
Show InChI InChI=1S/C17H23IN4O3/c1-9(2)11-5-14(24-4)12(18)6-13(11)25-15-7-20-17(22-16(15)19)21-10(3)8-23/h5-7,9-10,23H,8H2,1-4H3,(H3,19,20,21,22)
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n/an/a 10n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X3 receptor expressed in CHO cells by FLIPR

Bioorg Med Chem Lett 19: 1632-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.097
BindingDB Entry DOI: 10.7270/Q2DN44ZM
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(RAT)		BDBM50257636
PNG
(5-(5-iodo-2-isopropyl-4-methoxyphenoxy)pyrimidine-...)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1I
Show InChI InChI=1S/C14H17IN4O2/c1-7(2)8-4-11(20-3)9(15)5-10(8)21-12-6-18-14(17)19-13(12)16/h4-7H,1-3H3,(H4,16,17,18,19)
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n/an/a 10n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X3 receptor expressed in CHO cells by FLIPR

Bioorg Med Chem Lett 19: 1632-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.097
BindingDB Entry DOI: 10.7270/Q2DN44ZM
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(RAT)		BDBM271612
PNG
(US10065941, Compound I-113 | US9732060, Compound I...)
Show SMILES C[C@H]([C@H](C)n1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(C)cn3)cc2)n(Cc2ccc(C)cc2)c1=O)C(O)=O |r|
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n/an/a 10n/an/an/an/an/an/a



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 US10065941 (2018)


BindingDB Entry DOI: 10.7270/Q28P62J8
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(RAT)		BDBM50257636
PNG
(5-(5-iodo-2-isopropyl-4-methoxyphenoxy)pyrimidine-...)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1I
Show InChI InChI=1S/C14H17IN4O2/c1-7(2)8-4-11(20-3)9(15)5-10(8)21-12-6-18-14(17)19-13(12)16/h4-7H,1-3H3,(H4,16,17,18,19)
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n/an/a 10n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X3 receptor expressed in CHO cells by FLIPR assay

Bioorg Med Chem Lett 19: 1628-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.003
BindingDB Entry DOI: 10.7270/Q29023NX
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(RAT)		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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n/an/a 11n/an/an/an/an/an/a



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 US10065941 (2018)


BindingDB Entry DOI: 10.7270/Q28P62J8
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(RAT)		BDBM271518
PNG
(US10065941, Compound I-019 | US9732060, Compound I...)
Show SMILES OC(=O)[C@H]1C[C@@H](C1)n1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(F)cn3)cc2)n(Cc2ccc(Cl)cc2)c1=O |r,wU:3.2,wD:5.7,(8.28,1.86,;6.94,2.63,;6.94,4.17,;5.61,1.86,;5.21,.37,;3.72,.77,;4.12,2.26,;2.39,,;1.06,.77,;1.06,2.31,;-.28,,;-.28,-1.54,;-1.61,-2.31,;-2.94,-1.54,;-2.94,,;-4.28,.77,;-5.61,,;-6.94,.77,;-6.94,2.31,;-8.28,3.08,;-8.28,4.62,;-6.94,5.39,;-6.94,6.93,;-5.61,4.62,;-5.61,3.08,;-5.61,-1.54,;-4.28,-2.31,;1.06,-2.31,;1.06,-3.85,;2.39,-4.62,;2.39,-6.16,;3.72,-6.93,;5.06,-6.16,;6.39,-6.93,;5.06,-4.62,;3.72,-3.85,;2.39,-1.54,;3.72,-2.31,)|
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n/an/a 11n/an/an/an/an/an/a



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 US10065941 (2018)


BindingDB Entry DOI: 10.7270/Q28P62J8
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(RAT)		BDBM50413345
PNG
(CHEMBL494159)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NCC(C)O)nc2N)cc1I
Show InChI InChI=1S/C17H23IN4O3/c1-9(2)11-5-14(24-4)12(18)6-13(11)25-15-8-21-17(22-16(15)19)20-7-10(3)23/h5-6,8-10,23H,7H2,1-4H3,(H3,19,20,21,22)
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n/an/a 13n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X3 receptor expressed in CHO cells by FLIPR

Bioorg Med Chem Lett 19: 1632-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.097
BindingDB Entry DOI: 10.7270/Q2DN44ZM
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(RAT)		BDBM50413366
PNG
(CHEMBL492907)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NCCCO)nc2N)cc1I
Show InChI InChI=1S/C17H23IN4O3/c1-10(2)11-7-14(24-3)12(18)8-13(11)25-15-9-21-17(22-16(15)19)20-5-4-6-23/h7-10,23H,4-6H2,1-3H3,(H3,19,20,21,22)
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n/an/a 16n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X3 receptor expressed in CHO cells by FLIPR

Bioorg Med Chem Lett 19: 1632-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.097
BindingDB Entry DOI: 10.7270/Q2DN44ZM
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(RAT)		BDBM50413357
PNG
(CHEMBL492934)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NCCS(C)(=O)=O)nc2N)cc1I
Show InChI InChI=1S/C17H23IN4O4S/c1-10(2)11-7-14(25-3)12(18)8-13(11)26-15-9-21-17(22-16(15)19)20-5-6-27(4,23)24/h7-10H,5-6H2,1-4H3,(H3,19,20,21,22)
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n/an/a 16n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X3 receptor expressed in CHO cells by FLIPR

Bioorg Med Chem Lett 19: 1632-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.097
BindingDB Entry DOI: 10.7270/Q2DN44ZM
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(RAT)		BDBM266400
PNG
(US9718790, I-0837)
Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(OCC3CC3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r|
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n/an/a 19n/an/an/an/a7.5n/a



SHIONOGI & CO., LTD.

US Patent


Assay Description
Rat P2X3 receptor gene (GenBank accession number NM_031075) was expressed in C6BU-1 cell. The cells stably expressing rat P2X3 were seeded in a 96-we...

US Patent US9718790 (2017)


BindingDB Entry DOI: 10.7270/Q22809KB
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(RAT)		BDBM266545
PNG
(US9718790, I-2291)
Show SMILES OCC(CO)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccon3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C23H22ClN5O6/c24-17-3-1-15(2-4-17)11-28-21(26-22(32)29(23(28)33)12-16(13-30)14-31)25-18-5-7-19(8-6-18)35-20-9-10-34-27-20/h1-10,16,30-31H,11-14H2,(H,25,26,32)
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n/an/a 20n/an/an/an/a7.5n/a



SHIONOGI & CO., LTD.

US Patent


Assay Description
Rat P2X3 receptor gene (GenBank accession number NM_031075) was expressed in C6BU-1 cell. The cells stably expressing rat P2X3 were seeded in a 96-we...

US Patent US9718790 (2017)


BindingDB Entry DOI: 10.7270/Q22809KB
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(RAT)		BDBM50413395
PNG
(CHEMBL495203)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1Br
Show InChI InChI=1S/C14H17BrN4O2/c1-7(2)8-4-11(20-3)9(15)5-10(8)21-12-6-18-14(17)19-13(12)16/h4-7H,1-3H3,(H4,16,17,18,19)
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n/an/a 20n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X3 receptor expressed in CHO cells by FLIPR assay

Bioorg Med Chem Lett 19: 1628-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.003
BindingDB Entry DOI: 10.7270/Q29023NX
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(RAT)		BDBM265052
PNG
(US9718790, I-1679)
Show SMILES Cc1nc2ccc(cc2s1)\N=c1/[nH]c(=O)n(CCO)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C20H18ClN5O3S/c1-12-22-16-7-6-15(10-17(16)30-12)23-18-24-19(28)25(8-9-27)20(29)26(18)11-13-2-4-14(21)5-3-13/h2-7,10,27H,8-9,11H2,1H3,(H,23,24,28)
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n/an/a 23n/an/an/an/a7.5n/a



SHIONOGI & CO., LTD.

US Patent


Assay Description
Rat P2X3 receptor gene (GenBank accession number NM_031075) was expressed in C6BU-1 cell. The cells stably expressing rat P2X3 were seeded in a 96-we...

US Patent US9718790 (2017)


BindingDB Entry DOI: 10.7270/Q22809KB
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(RAT)		BDBM50413394
PNG
(CHEMBL448525)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1Cl
Show InChI InChI=1S/C14H17ClN4O2/c1-7(2)8-4-11(20-3)9(15)5-10(8)21-12-6-18-14(17)19-13(12)16/h4-7H,1-3H3,(H4,16,17,18,19)
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n/an/a 25n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X3 receptor expressed in CHO cells by FLIPR assay

Bioorg Med Chem Lett 19: 1628-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.003
BindingDB Entry DOI: 10.7270/Q29023NX
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(RAT)		BDBM50413382
PNG
(CHEMBL494833)
Show SMILES COc1cc(Oc2cnc(N)nc2N)c(cc1OC)C(C)C
Show InChI InChI=1S/C15H20N4O3/c1-8(2)9-5-11(20-3)12(21-4)6-10(9)22-13-7-18-15(17)19-14(13)16/h5-8H,1-4H3,(H4,16,17,18,19)
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n/an/a 25n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X3 receptor expressed in CHO cells by FLIPR assay

Bioorg Med Chem Lett 19: 1628-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.003
BindingDB Entry DOI: 10.7270/Q29023NX
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(RAT)		BDBM50102299
PNG
(2-(4-Formyl-5-hydroxy-6-methyl-3-phosphonomethyl-p...)
Show SMILES Cc1nc(N=Nc2cc(ccc2S(O)(=O)=O)S(O)(=O)=O)c(CP(O)(O)=O)c(C=O)c1O |w:4.3|
Show InChI InChI=1S/C14H14N3O11PS2/c1-7-13(19)9(5-18)10(6-29(20,21)22)14(15-7)17-16-11-4-8(30(23,24)25)2-3-12(11)31(26,27)28/h2-5,19H,6H2,1H3,(H2,20,21,22)(H,23,24,25)(H,26,27,28)
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n/an/a 25n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of inward ion current elicited by ATP was determined at recombinant P2X3 receptor expressed in Xenopus oocytes

J Med Chem 44: 340-9 (2001)


BindingDB Entry DOI: 10.7270/Q2FN15HC
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(RAT)		BDBM50415550
PNG
(CHEMBL599760 | Ro-85)
Show SMILES C[C@H](CN1CCN(CC1)C(C)=O)NC(=O)c1cc2c(nn(C)c2s1)-c1ccccc1 |r|
Show InChI InChI=1S/C22H27N5O2S/c1-15(14-26-9-11-27(12-10-26)16(2)28)23-21(29)19-13-18-20(17-7-5-4-6-8-17)24-25(3)22(18)30-19/h4-8,13,15H,9-12,14H2,1-3H3,(H,23,29)/t15-/m1/s1
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n/an/a 31.6n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X3 receptor expressed in CHO cells

Bioorg Med Chem Lett 20: 1031-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.044
BindingDB Entry DOI: 10.7270/Q22V2HCR
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(RAT)		BDBM50102300
PNG
(CHEMBL331250 | [4-(4-Formyl-5-hydroxy-6-methyl-3-p...)
Show SMILES Cc1nc(N=Nc2ccc(cc2)P(O)(O)=O)c(CP(O)(O)=O)c(C=O)c1O |w:5.5|
Show InChI InChI=1S/C14H15N3O8P2/c1-8-13(19)11(6-18)12(7-26(20,21)22)14(15-8)17-16-9-2-4-10(5-3-9)27(23,24)25/h2-6,19H,7H2,1H3,(H2,20,21,22)(H2,23,24,25)
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n/an/a 36n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of inward ion current elicited by ATP was determined at recombinant P2X3 receptor expressed in Xenopus oocytes

J Med Chem 44: 340-9 (2001)


BindingDB Entry DOI: 10.7270/Q2FN15HC
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(RAT)		BDBM50415553
PNG
(CHEMBL605130)
Show SMILES CC(CN1CCN(CC1)C(C)=O)NC(=O)c1cc2c(nn(C)c2s1)-c1ccccc1F
Show InChI InChI=1S/C22H26FN5O2S/c1-14(13-27-8-10-28(11-9-27)15(2)29)24-21(30)19-12-17-20(25-26(3)22(17)31-19)16-6-4-5-7-18(16)23/h4-7,12,14H,8-11,13H2,1-3H3,(H,24,30)
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n/an/a 39.8n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X3 receptor expressed in CHO cells

Bioorg Med Chem Lett 20: 1031-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.044
BindingDB Entry DOI: 10.7270/Q22V2HCR
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(RAT)		BDBM50415601
PNG
(CHEMBL598103)
Show SMILES CC(CN1CCN(CC1)C(C)=O)NC(=O)c1cc2c(nn(C)c2s1)-c1ccc(C)cc1
Show InChI InChI=1S/C23H29N5O2S/c1-15-5-7-18(8-6-15)21-19-13-20(31-23(19)26(4)25-21)22(30)24-16(2)14-27-9-11-28(12-10-27)17(3)29/h5-8,13,16H,9-12,14H2,1-4H3,(H,24,30)
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n/an/a 39.8n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X3 receptor expressed in CHO cells

Bioorg Med Chem Lett 20: 1031-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.044
BindingDB Entry DOI: 10.7270/Q22V2HCR
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(RAT)		BDBM50413400
PNG
(CHEMBL521983)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1-c1nnn[nH]1
Show InChI InChI=1S/C15H18N8O2/c1-7(2)8-4-10(24-3)9(14-20-22-23-21-14)5-11(8)25-12-6-18-15(17)19-13(12)16/h4-7H,1-3H3,(H4,16,17,18,19)(H,20,21,22,23)
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n/an/a 40n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X3 receptor expressed in CHO cells by FLIPR assay

Bioorg Med Chem Lett 19: 1628-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.003
BindingDB Entry DOI: 10.7270/Q29023NX
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(RAT)		BDBM50413377
PNG
(CHEMBL494176)
Show SMILES COc1cc(Oc2cnc(N)nc2N)c(cc1I)C(C)C
Show InChI InChI=1S/C14H17IN4O2/c1-7(2)8-4-9(15)11(20-3)5-10(8)21-12-6-18-14(17)19-13(12)16/h4-7H,1-3H3,(H4,16,17,18,19)
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n/an/a 40n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X3 receptor expressed in CHO cells by FLIPR assay

Bioorg Med Chem Lett 19: 1628-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.003
BindingDB Entry DOI: 10.7270/Q29023NX
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(RAT)		BDBM266400
PNG
(US9718790, I-0837)
Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(OCC3CC3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r|
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US Patent
n/an/a 44n/an/an/an/a7.5n/a



SHIONOGI & CO., LTD.

US Patent


Assay Description
Rat P2X3 receptor gene (GenBank accession number NM_031075) was expressed in C6BU-1 cell. The cells stably expressing rat P2X3 were seeded in a 96-we...

US Patent US9718790 (2017)


BindingDB Entry DOI: 10.7270/Q22809KB
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(RAT)		BDBM50413352
PNG
(CHEMBL443930)
Show SMILES CNc1ncc(Oc2cc(I)c(OC)cc2C(C)C)c(N)n1
Show InChI InChI=1S/C15H19IN4O2/c1-8(2)9-5-12(21-4)10(16)6-11(9)22-13-7-19-15(18-3)20-14(13)17/h5-8H,1-4H3,(H3,17,18,19,20)
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n/an/a 50n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X3 receptor expressed in CHO cells by FLIPR

Bioorg Med Chem Lett 19: 1632-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.097
BindingDB Entry DOI: 10.7270/Q2DN44ZM
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(RAT)		BDBM50413373
PNG
(CHEMBL502618)
Show SMILES CCc1cc(Oc2cnc(N)nc2N)c(cc1OC)C(C)C
Show InChI InChI=1S/C16H22N4O2/c1-5-10-6-13(11(9(2)3)7-12(10)21-4)22-14-8-19-16(18)20-15(14)17/h6-9H,5H2,1-4H3,(H4,17,18,19,20)
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n/an/a 50n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X3 receptor expressed in CHO cells by FLIPR assay

Bioorg Med Chem Lett 19: 1628-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.003
BindingDB Entry DOI: 10.7270/Q29023NX
More data for this
Ligand-Target Pair
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