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Compile Data Set for Download or QSAR

Found 230 hits of ic50 data for polymerid = 49000979,49000983   
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)

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
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n/an/a 3n/an/an/an/a7.5n/a



Parke-Davis Pharmaceutical Research





J Med Chem 40: 3781-92 (1997)

More data for this
Ligand-Target Pair
ratp2x3


(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
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n/an/a 4n/an/an/an/an/an/a



Griffith University





J Med Chem 49: 6539-48 (2006)

More data for this
Ligand-Target Pair
ratp2x3


(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
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Citation and Details
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
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Parke-Davis Pharmaceutical Research





J Med Chem 40: 3781-92 (1997)

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
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Parke-Davis Pharmaceutical Research





J Med Chem 40: 3781-92 (1997)

More data for this
Ligand-Target Pair
ratp2x3 + rsa


(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
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Citation and Details
More data for this
Ligand-Target Pair
ratp2x3


(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
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Citation and Details
More data for this
Ligand-Target Pair
ratp2x3


(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
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n/an/a 6n/an/an/an/an/an/a



Griffith University





J Med Chem 49: 6539-48 (2006)

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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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)

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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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)

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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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)

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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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)

More data for this
Ligand-Target Pair
ratp2x3 + rsa


(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
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More data for this
Ligand-Target Pair
ratp2x3 + rsa


(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
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Citation and Details
More data for this
Ligand-Target Pair
ratp2x3 + rsa


(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
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Citation and Details
More data for this
Ligand-Target Pair
ratp2x3 + rsa


(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
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Citation and Details
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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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)

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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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)

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)

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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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)

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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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)

More data for this
Ligand-Target Pair
ratp2x3 + rsa


(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
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More data for this
Ligand-Target Pair
ratp2x3 + rsa


(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
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Citation and Details
More data for this
Ligand-Target Pair
ratp2x3 + rsa


(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
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Citation and Details
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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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)

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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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)

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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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)

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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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)

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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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)

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
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n/an/a 19n/an/an/an/a7.5n/a



Parke-Davis Pharmaceutical Research





J Med Chem 40: 3781-92 (1997)

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
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Parke-Davis Pharmaceutical Research





J Med Chem 40: 3781-92 (1997)

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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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)

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
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Parke-Davis Pharmaceutical Research





J Med Chem 40: 3781-92 (1997)

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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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)

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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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)

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
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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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


Citation and Details
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
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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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)

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
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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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


Citation and Details
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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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)

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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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)

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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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)

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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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)

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
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n/an/a 44n/an/an/an/a7.5n/a



Parke-Davis Pharmaceutical Research





J Med Chem 40: 3781-92 (1997)

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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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)

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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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)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(RAT)
BDBM50415574
PNG
(CHEMBL597486)
Show SMILES CCCc1nc(oc1C(=O)N[C@H](C)CN1CCN(CC1)c1ncccn1)-c1ccc(F)cc1
Show InChI InChI=1S/C24H29FN6O2/c1-3-5-20-21(33-23(29-20)18-6-8-19(25)9-7-18)22(32)28-17(2)16-30-12-14-31(15-13-30)24-26-10-4-11-27-24/h4,6-11,17H,3,5,12-16H2,1-2H3,(H,28,32)/t17-/m1/s1
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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)

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
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Parke-Davis Pharmaceutical Research





J Med Chem 40: 3781-92 (1997)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(RAT)
BDBM50413360
PNG
(CHEMBL492745)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NCCN3CCNCC3)nc2N)cc1I
Show InChI InChI=1S/C20H29IN6O2/c1-13(2)14-10-17(28-3)15(21)11-16(14)29-18-12-25-20(26-19(18)22)24-6-9-27-7-4-23-5-8-27/h10-13,23H,4-9H2,1-3H3,(H3,22,24,25,26)
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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)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(RAT)
BDBM50413365
PNG
(CHEMBL492703)
Show SMILES COCCNc1ncc(Oc2cc(I)c(OC)cc2C(C)C)c(N)n1
Show InChI InChI=1S/C17H23IN4O3/c1-10(2)11-7-14(24-4)12(18)8-13(11)25-15-9-21-17(22-16(15)19)20-5-6-23-3/h7-10H,5-6H2,1-4H3,(H3,19,20,21,22)
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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)

More data for this
Ligand-Target Pair
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