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PubMed code 19231178

Compile data set for download or QSAR
Found 61 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
P2X purinoceptor 3


(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
PurinergicP2X2/3


(HUMAN)
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 5n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c 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)
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)
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)
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)
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)
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)
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)
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 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)
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 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)
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
PurinergicP2X2/3


(HUMAN)
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 16n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c 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
PurinergicP2X2/3


(HUMAN)
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 16n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c 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
PurinergicP2X2/3


(HUMAN)
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 25n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c 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
PurinergicP2X2/3


(HUMAN)
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 25n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c 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
PurinergicP2X2/3


(HUMAN)
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 25n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c 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
PurinergicP2X2/3


(HUMAN)
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 32n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c 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
PurinergicP2X2/3


(HUMAN)
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 32n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c 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
PurinergicP2X2/3


(HUMAN)
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 32n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c 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
PurinergicP2X2/3


(HUMAN)
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 40n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c 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
PurinergicP2X2/3


(HUMAN)
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 40n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c 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
PurinergicP2X2/3


(HUMAN)
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 50n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c 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)
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
PurinergicP2X2/3


(HUMAN)
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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n/an/a 63n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c 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
PurinergicP2X2/3


(HUMAN)
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 63n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c 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)
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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n/an/a 63n/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)
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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n/an/a 63n/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)
BDBM50413353
PNG
(CHEMBL493741)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NCC(F)(F)F)nc2N)cc1I
Show InChI InChI=1S/C16H18F3IN4O2/c1-8(2)9-4-12(25-3)10(20)5-11(9)26-13-6-22-15(24-14(13)21)23-7-16(17,18)19/h4-6,8H,7H2,1-3H3,(H3,21,22,23,24)
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n/an/a 79n/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)
BDBM50413363
PNG
(CHEMBL492299)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2N)cc1I
Show InChI InChI=1S/C20H28IN5O4S/c1-12(2)14-9-17(29-3)15(21)10-16(14)30-18-11-23-20(25-19(18)22)24-13-5-7-26(8-6-13)31(4,27)28/h9-13H,5-8H2,1-4H3,(H3,22,23,24,25)
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n/an/a 100n/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)
BDBM50413348
PNG
(CHEMBL494581)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NC(C)(C)CO)nc2N)cc1I
Show InChI InChI=1S/C18H25IN4O3/c1-10(2)11-6-14(25-5)12(19)7-13(11)26-15-8-21-17(22-16(15)20)23-18(3,4)9-24/h6-8,10,24H,9H2,1-5H3,(H3,20,21,22,23)
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n/an/a 100n/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)
BDBM50413362
PNG
(CHEMBL493547)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NC3CCOCC3)nc2N)cc1I
Show InChI InChI=1S/C19H25IN4O3/c1-11(2)13-8-16(25-3)14(20)9-15(13)27-17-10-22-19(24-18(17)21)23-12-4-6-26-7-5-12/h8-12H,4-7H2,1-3H3,(H3,21,22,23,24)
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n/an/a 126n/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)
BDBM50413361
PNG
(CHEMBL493546)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NCCN3CCOCC3)nc2N)cc1I
Show InChI InChI=1S/C20H28IN5O3/c1-13(2)14-10-17(27-3)15(21)11-16(14)29-18-12-24-20(25-19(18)22)23-4-5-26-6-8-28-9-7-26/h10-13H,4-9H2,1-3H3,(H3,22,23,24,25)
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n/an/a 158n/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)
BDBM50413358
PNG
(CHEMBL492935)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NCCN(C)C)nc2N)cc1I
Show InChI InChI=1S/C18H26IN5O2/c1-11(2)12-8-15(25-5)13(19)9-14(12)26-16-10-22-18(23-17(16)20)21-6-7-24(3)4/h8-11H,6-7H2,1-5H3,(H3,20,21,22,23)
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n/an/a 158n/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
PurinergicP2X2/3


(HUMAN)
BDBM50413353
PNG
(CHEMBL493741)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NCC(F)(F)F)nc2N)cc1I
Show InChI InChI=1S/C16H18F3IN4O2/c1-8(2)9-4-12(25-3)10(20)5-11(9)26-13-6-22-15(24-14(13)21)23-7-16(17,18)19/h4-6,8H,7H2,1-3H3,(H3,21,22,23,24)
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n/an/a 200n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c 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
PurinergicP2X2/3


(HUMAN)
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 200n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c 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
PurinergicP2X2/3


(HUMAN)
BDBM50413358
PNG
(CHEMBL492935)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NCCN(C)C)nc2N)cc1I
Show InChI InChI=1S/C18H26IN5O2/c1-11(2)12-8-15(25-5)13(19)9-14(12)26-16-10-22-18(23-17(16)20)21-6-7-24(3)4/h8-11H,6-7H2,1-5H3,(H3,20,21,22,23)
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n/an/a 251n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c 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)
BDBM50413355
PNG
(CHEMBL492729)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NCCN)nc2N)cc1I
Show InChI InChI=1S/C16H22IN5O2/c1-9(2)10-6-13(23-3)11(17)7-12(10)24-14-8-21-16(20-5-4-18)22-15(14)19/h6-9H,4-5,18H2,1-3H3,(H3,19,20,21,22)
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n/an/a 251n/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)
BDBM50413368
PNG
(CHEMBL523000)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NCCN3CCCCC3)nc2N)cc1I
Show InChI InChI=1S/C21H30IN5O2/c1-14(2)15-11-18(28-3)16(22)12-17(15)29-19-13-25-21(26-20(19)23)24-7-10-27-8-5-4-6-9-27/h11-14H,4-10H2,1-3H3,(H3,23,24,25,26)
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n/an/a 251n/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
PurinergicP2X2/3


(HUMAN)
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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n/an/a 251n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c 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
PurinergicP2X2/3


(HUMAN)
BDBM50413363
PNG
(CHEMBL492299)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2N)cc1I
Show InChI InChI=1S/C20H28IN5O4S/c1-12(2)14-9-17(29-3)15(21)10-16(14)30-18-11-23-20(25-19(18)22)24-13-5-7-26(8-6-13)31(4,27)28/h9-13H,5-8H2,1-4H3,(H3,22,23,24,25)
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n/an/a 316n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c 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)
BDBM50413359
PNG
(CHEMBL492744)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NCCN3CCC(O)CC3)nc2N)cc1I
Show InChI InChI=1S/C21H30IN5O3/c1-13(2)15-10-18(29-3)16(22)11-17(15)30-19-12-25-21(26-20(19)23)24-6-9-27-7-4-14(28)5-8-27/h10-14,28H,4-9H2,1-3H3,(H3,23,24,25,26)
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n/an/a 398n/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
PurinergicP2X2/3


(HUMAN)
BDBM50413361
PNG
(CHEMBL493546)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NCCN3CCOCC3)nc2N)cc1I
Show InChI InChI=1S/C20H28IN5O3/c1-13(2)14-10-17(27-3)15(21)11-16(14)29-18-12-24-20(25-19(18)22)23-4-5-26-6-8-28-9-7-26/h10-13H,4-9H2,1-3H3,(H3,22,23,24,25)
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n/an/a 398n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c 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)
BDBM50413350
PNG
(CHEMBL492789)
Show SMILES COc1cc(C(C)C)c(Oc2cncnc2N)cc1I
Show InChI InChI=1S/C14H16IN3O2/c1-8(2)9-4-12(19-3)10(15)5-11(9)20-13-6-17-7-18-14(13)16/h4-8H,1-3H3,(H2,16,17,18)
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n/an/a 398n/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
PurinergicP2X2/3


(HUMAN)
BDBM50413362
PNG
(CHEMBL493547)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NC3CCOCC3)nc2N)cc1I
Show InChI InChI=1S/C19H25IN4O3/c1-11(2)13-8-16(25-3)14(20)9-15(13)27-17-10-22-19(24-18(17)21)23-12-4-6-26-7-5-12/h8-12H,4-7H2,1-3H3,(H3,21,22,23,24)
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n/an/a 398n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c 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
PurinergicP2X2/3


(HUMAN)
BDBM50413368
PNG
(CHEMBL523000)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NCCN3CCCCC3)nc2N)cc1I
Show InChI InChI=1S/C21H30IN5O2/c1-14(2)15-11-18(28-3)16(22)12-17(15)29-19-13-25-21(26-20(19)23)24-7-10-27-8-5-4-6-9-27/h11-14H,4-10H2,1-3H3,(H3,23,24,25,26)
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n/an/a 631n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c 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
PurinergicP2X2/3


(HUMAN)
BDBM50413348
PNG
(CHEMBL494581)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NC(C)(C)CO)nc2N)cc1I
Show InChI InChI=1S/C18H25IN4O3/c1-10(2)11-6-14(25-5)12(19)7-13(11)26-15-8-21-17(22-16(15)20)23-18(3,4)9-24/h6-8,10,24H,9H2,1-5H3,(H3,20,21,22,23)
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n/an/a 794n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c 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
PurinergicP2X2/3


(HUMAN)
BDBM50413359
PNG
(CHEMBL492744)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NCCN3CCC(O)CC3)nc2N)cc1I
Show InChI InChI=1S/C21H30IN5O3/c1-13(2)15-10-18(29-3)16(22)11-17(15)30-19-12-25-21(26-20(19)23)24-6-9-27-7-4-14(28)5-8-27/h10-14,28H,4-9H2,1-3H3,(H3,23,24,25,26)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c 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
PurinergicP2X2/3


(HUMAN)
BDBM50413355
PNG
(CHEMBL492729)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NCCN)nc2N)cc1I
Show InChI InChI=1S/C16H22IN5O2/c1-9(2)10-6-13(23-3)11(17)7-12(10)24-14-8-21-16(20-5-4-18)22-15(14)19/h6-9H,4-5,18H2,1-3H3,(H3,19,20,21,22)
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n/an/a 1.26E+3n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c 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
PurinergicP2X2/3


(HUMAN)
BDBM50413350
PNG
(CHEMBL492789)
Show SMILES COc1cc(C(C)C)c(Oc2cncnc2N)cc1I
Show InChI InChI=1S/C14H16IN3O2/c1-8(2)9-4-12(19-3)10(15)5-11(9)20-13-6-17-7-18-14(13)16/h4-8H,1-3H3,(H2,16,17,18)
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n/an/a 1.59E+3n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c 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
PurinergicP2X2/3


(HUMAN)
BDBM50413351
PNG
(CHEMBL493740)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(C)nc2N)cc1I
Show InChI InChI=1S/C15H18IN3O2/c1-8(2)10-5-13(20-4)11(16)6-12(10)21-14-7-18-9(3)19-15(14)17/h5-8H,1-4H3,(H2,17,18,19)
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n/an/a 2.51E+3n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c 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)
BDBM50413351
PNG
(CHEMBL493740)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(C)nc2N)cc1I
Show InChI InChI=1S/C15H18IN3O2/c1-8(2)10-5-13(20-4)11(16)6-12(10)21-14-7-18-9(3)19-15(14)17/h5-8H,1-4H3,(H2,17,18,19)
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n/an/a 2.51E+3n/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)
BDBM50413354
PNG
(CHEMBL523840)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(nc2N)N(C)C)cc1I
Show InChI InChI=1S/C16H21IN4O2/c1-9(2)10-6-13(22-5)11(17)7-12(10)23-14-8-19-16(21(3)4)20-15(14)18/h6-9H,1-5H3,(H2,18,19,20)
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n/an/a<1.00E+4n/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 4


(HUMAN)
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>1.00E+4n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at P2X4 receptor up to 10 uM


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
PurinergicP2X2/3


(HUMAN)
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>1.00E+4n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at P2X2 receptor (unknown origin) up to 10 uM


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 5


(Homo sapiens)
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>1.00E+4n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at P2X5 receptor up to 10 uM


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 1


(HUMAN)
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>1.00E+4n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at P2X1 receptor up to 10 uM


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
PurinergicP2X2/3


(HUMAN)
BDBM50413354
PNG
(CHEMBL523840)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(nc2N)N(C)C)cc1I
Show InChI InChI=1S/C16H21IN4O2/c1-9(2)10-6-13(22-5)11(17)7-12(10)23-14-8-19-16(21(3)4)20-15(14)18/h6-9H,1-5H3,(H2,18,19,20)
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n/an/a<1.00E+4n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c 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 7


(Homo sapiens (Human))
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>1.00E+4n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7 receptor up to 10 uM


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
* indicates data uncertainty>20%