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PubMed code 19231180

Compile data set for download or QSAR
Found 81 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
5-hydroxytryptamine receptor 2A


(Homo sapiens (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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1.00E+8n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of 5HT2A receptor


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
Serotonin 3 (5-HT3) receptor


(Homo sapiens (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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1.00E+8n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of 5HT3 receptor


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
Histamine H2 Receptor


(Homo sapiens (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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1.00E+8n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of histamine H2 receptor


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
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (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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1.00E+8n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of 5HT6 receptor


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)
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)
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
PurinergicP2X2/3


(HUMAN)
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 13n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X2 receptor


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)
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)
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)
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)
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)


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)
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
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 79n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X2 receptor


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)
BDBM50413378
PNG
(CHEMBL523043)
Show SMILES COc1cc(Oc2cnc(N)nc2N)c(cc1Br)C(C)C
Show InChI InChI=1S/C14H17BrN4O2/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 79n/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
PurinergicP2X2/3


(HUMAN)
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 79n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X2 receptor


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)
BDBM50413403
PNG
(CHEMBL521820)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C(N)=O
Show InChI InChI=1S/C15H19N5O3/c1-7(2)8-4-10(22-3)9(14(17)21)5-11(8)23-12-6-19-15(18)20-13(12)16/h4-7H,1-3H3,(H2,17,21)(H4,16,18,19,20)
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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 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
PurinergicP2X2/3


(HUMAN)
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 100n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X2 receptor


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)
BDBM50413374
PNG
(CHEMBL446310)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C
Show InChI InChI=1S/C15H20N4O2/c1-8(2)10-6-11(20-4)9(3)5-12(10)21-13-7-18-15(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)


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)
BDBM50413397
PNG
(CHEMBL492967)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1S(C)(=O)=O
Show InChI InChI=1S/C15H20N4O4S/c1-8(2)9-5-11(22-3)13(24(4,20)21)6-10(9)23-12-7-18-15(17)19-14(12)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)


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)
BDBM50413391
PNG
(CHEMBL494772)
Show SMILES COc1cc(Cc2cnc(N)nc2N)c(cc1OC)C(C)C
Show InChI InChI=1S/C16H22N4O2/c1-9(2)12-7-14(22-4)13(21-3)6-10(12)5-11-8-19-16(18)20-15(11)17/h6-9H,5H2,1-4H3,(H4,17,18,19,20)
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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 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
PurinergicP2X2/3


(HUMAN)
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 158n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X2 receptor


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
PurinergicP2X2/3


(HUMAN)
BDBM50413380
PNG
(CHEMBL444469)
Show SMILES COc1ccc(C(C)C)c(Oc2cnc(N)nc2N)c1
Show InChI InChI=1S/C14H18N4O2/c1-8(2)10-5-4-9(19-3)6-11(10)20-12-7-17-14(16)18-13(12)15/h4-8H,1-3H3,(H4,15,16,17,18)
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n/an/a 158n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X2 receptor


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)
BDBM50413399
PNG
(CHEMBL492968)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1-c1ncc[nH]1
Show InChI InChI=1S/C17H20N6O2/c1-9(2)10-6-12(24-3)11(16-20-4-5-21-16)7-13(10)25-14-8-22-17(19)23-15(14)18/h4-9H,1-3H3,(H,20,21)(H4,18,19,22,23)
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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 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)
BDBM50413383
PNG
(CHEMBL494832)
Show SMILES CCc1cc(OC)c(OC)cc1Oc1cnc(N)nc1N
Show InChI InChI=1S/C14H18N4O3/c1-4-8-5-10(19-2)11(20-3)6-9(8)21-12-7-17-14(16)18-13(12)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
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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 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)
BDBM50413398
PNG
(CHEMBL500550)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C(O)=O
Show InChI InChI=1S/C15H18N4O4/c1-7(2)8-4-10(22-3)9(14(20)21)5-11(8)23-12-6-18-15(17)19-13(12)16/h4-7H,1-3H3,(H,20,21)(H4,16,17,18,19)
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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 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
PurinergicP2X2/3


(HUMAN)
BDBM50413398
PNG
(CHEMBL500550)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C(O)=O
Show InChI InChI=1S/C15H18N4O4/c1-7(2)8-4-10(22-3)9(14(20)21)5-11(8)23-12-6-18-15(17)19-13(12)16/h4-7H,1-3H3,(H,20,21)(H4,16,17,18,19)
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n/an/a 316n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X2 receptor


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
PurinergicP2X2/3


(HUMAN)
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 316n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X2 receptor


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
PurinergicP2X2/3


(HUMAN)
BDBM50413378
PNG
(CHEMBL523043)
Show SMILES COc1cc(Oc2cnc(N)nc2N)c(cc1Br)C(C)C
Show InChI InChI=1S/C14H17BrN4O2/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 316n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X2 receptor


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
PurinergicP2X2/3


(HUMAN)
BDBM50413379
PNG
(CHEMBL504607 | TCMDC-132471)
Show SMILES COc1ccc(Oc2cnc(N)nc2N)c(c1)C(C)C
Show InChI InChI=1S/C14H18N4O2/c1-8(2)10-6-9(19-3)4-5-11(10)20-12-7-17-14(16)18-13(12)15/h4-8H,1-3H3,(H4,15,16,17,18)
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n/an/a 398n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X2 receptor


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
PurinergicP2X2/3


(HUMAN)
BDBM50413374
PNG
(CHEMBL446310)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C
Show InChI InChI=1S/C15H20N4O2/c1-8(2)10-6-11(20-4)9(3)5-12(10)21-13-7-18-15(17)19-14(13)16/h5-8H,1-4H3,(H4,16,17,18,19)
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n/an/a 398n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X2 receptor


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
PurinergicP2X2/3


(HUMAN)
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 398n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X2 receptor


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)
BDBM50413380
PNG
(CHEMBL444469)
Show SMILES COc1ccc(C(C)C)c(Oc2cnc(N)nc2N)c1
Show InChI InChI=1S/C14H18N4O2/c1-8(2)10-5-4-9(19-3)6-11(10)20-12-7-17-14(16)18-13(12)15/h4-8H,1-3H3,(H4,15,16,17,18)
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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 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
PurinergicP2X2/3


(HUMAN)
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 501n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X2 receptor


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)
BDBM50413372
PNG
(CHEMBL494181)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C(C)C
Show InChI InChI=1S/C17H24N4O2/c1-9(2)11-7-14(12(10(3)4)6-13(11)22-5)23-15-8-20-17(19)21-16(15)18/h6-10H,1-5H3,(H4,18,19,20,21)
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n/an/a 501n/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)
BDBM50413396
PNG
(CHEMBL492562)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C#N
Show InChI InChI=1S/C15H17N5O2/c1-8(2)10-5-11(21-3)9(6-16)4-12(10)22-13-7-19-15(18)20-14(13)17/h4-5,7-8H,1-3H3,(H4,17,18,19,20)
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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 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
PurinergicP2X2/3


(HUMAN)
BDBM50413399
PNG
(CHEMBL492968)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1-c1ncc[nH]1
Show InChI InChI=1S/C17H20N6O2/c1-9(2)10-6-12(24-3)11(16-20-4-5-21-16)7-13(10)25-14-8-22-17(19)23-15(14)18/h4-9H,1-3H3,(H,20,21)(H4,18,19,22,23)
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n/an/a 631n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X2 receptor


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
PurinergicP2X2/3


(HUMAN)
BDBM50413397
PNG
(CHEMBL492967)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1S(C)(=O)=O
Show InChI InChI=1S/C15H20N4O4S/c1-8(2)9-5-11(22-3)13(24(4,20)21)6-10(9)23-12-7-18-15(17)19-14(12)16/h5-8H,1-4H3,(H4,16,17,18,19)
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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
Inhibition of P2X2 receptor


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)
BDBM50413371
PNG
(CHEMBL495195)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1-c1ccccc1
Show InChI InChI=1S/C20H22N4O2/c1-12(2)14-9-16(25-3)15(13-7-5-4-6-8-13)10-17(14)26-18-11-23-20(22)24-19(18)21/h4-12H,1-3H3,(H4,21,22,23,24)
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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 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)
BDBM50413390
PNG
(CHEMBL494239)
Show SMILES COc1cc(Cc2cnc(N)nc2N)c(cc1OC)C1CC1
Show InChI InChI=1S/C16H20N4O2/c1-21-13-6-10(5-11-8-19-16(18)20-15(11)17)12(9-3-4-9)7-14(13)22-2/h6-9H,3-5H2,1-2H3,(H4,17,18,19,20)
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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 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)
BDBM50413379
PNG
(CHEMBL504607 | TCMDC-132471)
Show SMILES COc1ccc(Oc2cnc(N)nc2N)c(c1)C(C)C
Show InChI InChI=1S/C14H18N4O2/c1-8(2)10-6-9(19-3)4-5-11(10)20-12-7-17-14(16)18-13(12)15/h4-8H,1-3H3,(H4,15,16,17,18)
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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 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)
BDBM50413393
PNG
(CHEMBL494761)
Show SMILES CCc1cc(OC)c(OC)cc1Cc1cnc(N)nc1N
Show InChI InChI=1S/C15H20N4O2/c1-4-9-6-12(20-2)13(21-3)7-10(9)5-11-8-18-15(17)19-14(11)16/h6-8H,4-5H2,1-3H3,(H4,16,17,18,19)
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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 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
PurinergicP2X2/3


(HUMAN)
BDBM50413403
PNG
(CHEMBL521820)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C(N)=O
Show InChI InChI=1S/C15H19N5O3/c1-7(2)8-4-10(22-3)9(14(17)21)5-11(8)23-12-6-19-15(18)20-13(12)16/h4-7H,1-3H3,(H2,17,21)(H4,16,18,19,20)
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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
Inhibition of P2X2 receptor


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
PurinergicP2X2/3


(HUMAN)
BDBM50413369
PNG
(CHEMBL494940)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1F
Show InChI InChI=1S/C14H17FN4O2/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 1.59E+3n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X2 receptor


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
PurinergicP2X2/3


(HUMAN)
BDBM50413381
PNG
(CHEMBL494834)
Show SMILES CC(C)c1ccccc1Oc1cnc(N)nc1N
Show InChI InChI=1S/C13H16N4O/c1-8(2)9-5-3-4-6-10(9)18-11-7-16-13(15)17-12(11)14/h3-8H,1-2H3,(H4,14,15,16,17)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X2 receptor


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
PurinergicP2X2/3


(HUMAN)
BDBM50413383
PNG
(CHEMBL494832)
Show SMILES CCc1cc(OC)c(OC)cc1Oc1cnc(N)nc1N
Show InChI InChI=1S/C14H18N4O3/c1-4-8-5-10(19-2)11(20-3)6-9(8)21-12-7-17-14(16)18-13(12)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X2 receptor


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
PurinergicP2X2/3


(HUMAN)
BDBM50413372
PNG
(CHEMBL494181)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C(C)C
Show InChI InChI=1S/C17H24N4O2/c1-9(2)11-7-14(12(10(3)4)6-13(11)22-5)23-15-8-20-17(19)21-16(15)18/h6-10H,1-5H3,(H4,18,19,20,21)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X2 receptor


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
PurinergicP2X2/3


(HUMAN)
BDBM50413391
PNG
(CHEMBL494772)
Show SMILES COc1cc(Cc2cnc(N)nc2N)c(cc1OC)C(C)C
Show InChI InChI=1S/C16H22N4O2/c1-9(2)12-7-14(22-4)13(21-3)6-10(12)5-11-8-19-16(18)20-15(11)17/h6-9H,5H2,1-4H3,(H4,17,18,19,20)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X2 receptor


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
PurinergicP2X2/3


(HUMAN)
BDBM50413396
PNG
(CHEMBL492562)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C#N
Show InChI InChI=1S/C15H17N5O2/c1-8(2)10-5-11(21-3)9(6-16)4-12(10)22-13-7-19-15(18)20-14(13)17/h4-5,7-8H,1-3H3,(H4,17,18,19,20)
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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
Inhibition of P2X2 receptor


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)
BDBM50413376
PNG
(CHEMBL522184)
Show SMILES COc1cc(Oc2cnc(N)nc2N)c(cc1-c1ccc(F)cc1)C(C)C
Show InChI InChI=1S/C20H21FN4O2/c1-11(2)14-8-15(12-4-6-13(21)7-5-12)16(26-3)9-17(14)27-18-10-24-20(23)25-19(18)22/h4-11H,1-3H3,(H4,22,23,24,25)
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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 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
PurinergicP2X2/3


(HUMAN)
BDBM50413371
PNG
(CHEMBL495195)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1-c1ccccc1
Show InChI InChI=1S/C20H22N4O2/c1-12(2)14-9-16(25-3)15(13-7-5-4-6-8-13)10-17(14)26-18-11-23-20(22)24-19(18)21/h4-12H,1-3H3,(H4,21,22,23,24)
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Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X2 receptor


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)
BDBM50413369
PNG
(CHEMBL494940)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1F
Show InChI InChI=1S/C14H17FN4O2/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 3.16E+3n/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)
BDBM50413381
PNG
(CHEMBL494834)
Show SMILES CC(C)c1ccccc1Oc1cnc(N)nc1N
Show InChI InChI=1S/C13H16N4O/c1-8(2)9-5-3-4-6-10(9)18-11-7-16-13(15)17-12(11)14/h3-8H,1-2H3,(H4,14,15,16,17)
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n/an/a 3.98E+3n/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
PurinergicP2X2/3


(HUMAN)
BDBM50413376
PNG
(CHEMBL522184)
Show SMILES COc1cc(Oc2cnc(N)nc2N)c(cc1-c1ccc(F)cc1)C(C)C
Show InChI InChI=1S/C20H21FN4O2/c1-11(2)14-8-15(12-4-6-13(21)7-5-12)16(26-3)9-17(14)27-18-10-24-20(23)25-19(18)22/h4-11H,1-3H3,(H4,22,23,24,25)
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n/an/a 7.94E+3n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X2 receptor


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)
BDBM50413402
PNG
(CHEMBL492969)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C1=NCCN1
Show InChI InChI=1S/C17H22N6O2/c1-9(2)10-6-12(24-3)11(16-20-4-5-21-16)7-13(10)25-14-8-22-17(19)23-15(14)18/h6-9H,4-5H2,1-3H3,(H,20,21)(H4,18,19,22,23)
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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)


Article DOI: 10.1016/j.bmcl.2009.02.003
BindingDB Entry DOI: 10.7270/Q29023NX
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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Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X2 receptor (unknown origin)


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)
BDBM50413387
PNG
(CHEMBL492786)
Show SMILES COc1cc(Cc2cnc(N)nc2N)c(cc1OC)C1CCC1
Show InChI InChI=1S/C17H22N4O2/c1-22-14-7-11(6-12-9-20-17(19)21-16(12)18)13(8-15(14)23-2)10-4-3-5-10/h7-10H,3-6H2,1-2H3,(H4,18,19,20,21)
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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)


Article DOI: 10.1016/j.bmcl.2009.02.003
BindingDB Entry DOI: 10.7270/Q29023NX
More data for this
Ligand-Target Pair
PurinergicP2X2/3


(HUMAN)
BDBM50413386
PNG
(CHEMBL492787)
Show SMILES COc1cc(C(C)C)c(cc1OC)C(O)c1cnc(N)nc1N
Show InChI InChI=1S/C16H22N4O3/c1-8(2)9-5-12(22-3)13(23-4)6-10(9)14(21)11-7-19-16(18)20-15(11)17/h5-8,14,21H,1-4H3,(H4,17,18,19,20)
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Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X2 receptor


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)
BDBM50413384
PNG
(CHEMBL510124)
Show SMILES CCc1cc(OC)c(OC)cc1CCc1cnc(N)nc1N
Show InChI InChI=1S/C16H22N4O2/c1-4-10-7-13(21-2)14(22-3)8-11(10)5-6-12-9-19-16(18)20-15(12)17/h7-9H,4-6H2,1-3H3,(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)


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)
BDBM50413388
PNG
(CHEMBL495370)
Show SMILES COc1cc(Cc2cnc(N)nc2N)c(cc1OC)C(C)(C)C
Show InChI InChI=1S/C17H24N4O2/c1-17(2,3)12-8-14(23-5)13(22-4)7-10(12)6-11-9-20-16(19)21-15(11)18/h7-9H,6H2,1-5H3,(H4,18,19,20,21)
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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)


Article DOI: 10.1016/j.bmcl.2009.02.003
BindingDB Entry DOI: 10.7270/Q29023NX
More data for this
Ligand-Target Pair
PurinergicP2X2/3


(HUMAN)
BDBM50413385
PNG
(CHEMBL492788)
Show SMILES COc1cc(C(C)C)c(cc1OC)C(=O)c1cnc(N)nc1N
Show InChI InChI=1S/C16H20N4O3/c1-8(2)9-5-12(22-3)13(23-4)6-10(9)14(21)11-7-19-16(18)20-15(11)17/h5-8H,1-4H3,(H4,17,18,19,20)
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Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X2 receptor


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)
BDBM50413392
PNG
(CHEMBL524043)
Show SMILES CCCc1cc(OC)c(OC)cc1Cc1cnc(N)nc1N
Show InChI InChI=1S/C16H22N4O2/c1-4-5-10-7-13(21-2)14(22-3)8-11(10)6-12-9-19-16(18)20-15(12)17/h7-9H,4-6H2,1-3H3,(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)


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)
BDBM50413375
PNG
(CHEMBL494849)
Show SMILES COc1cc(Oc2cnc(N)nc2N)c(cc1C#N)C(C)C
Show InChI InChI=1S/C15H17N5O2/c1-8(2)10-4-9(6-16)11(21-3)5-12(10)22-13-7-19-15(18)20-14(13)17/h4-5,7-8H,1-3H3,(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)


Article DOI: 10.1016/j.bmcl.2009.02.003
BindingDB Entry DOI: 10.7270/Q29023NX
More data for this
Ligand-Target Pair
PurinergicP2X2/3


(HUMAN)
BDBM50413384
PNG
(CHEMBL510124)
Show SMILES CCc1cc(OC)c(OC)cc1CCc1cnc(N)nc1N
Show InChI InChI=1S/C16H22N4O2/c1-4-10-7-13(21-2)14(22-3)8-11(10)5-6-12-9-19-16(18)20-15(12)17/h7-9H,4-6H2,1-3H3,(H4,17,18,19,20)
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Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X2 receptor


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 5


(Homo sapiens)
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
Inhibition of P2X5 receptor


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
PurinergicP2X2/3


(HUMAN)
BDBM50413388
PNG
(CHEMBL495370)
Show SMILES COc1cc(Cc2cnc(N)nc2N)c(cc1OC)C(C)(C)C
Show InChI InChI=1S/C17H24N4O2/c1-17(2,3)12-8-14(23-5)13(22-4)7-10(12)6-11-9-20-16(19)21-15(11)18/h7-9H,6H2,1-5H3,(H4,18,19,20,21)
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Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X2 receptor


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 7


(Homo sapiens (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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Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X7 receptor


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
PurinergicP2X2/3


(HUMAN)
BDBM50413375
PNG
(CHEMBL494849)
Show SMILES COc1cc(Oc2cnc(N)nc2N)c(cc1C#N)C(C)C
Show InChI InChI=1S/C15H17N5O2/c1-8(2)10-4-9(6-16)11(21-3)5-12(10)22-13-7-19-15(18)20-14(13)17/h4-5,7-8H,1-3H3,(H4,17,18,19,20)
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Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X2 receptor


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)
BDBM50413389
PNG
(CHEMBL494240)
Show SMILES COc1cc(CC(C)C)c(Cc2cnc(N)nc2N)cc1OC
Show InChI InChI=1S/C17H24N4O2/c1-10(2)5-11-7-14(22-3)15(23-4)8-12(11)6-13-9-20-17(19)21-16(13)18/h7-10H,5-6H2,1-4H3,(H4,18,19,20,21)
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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 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)
BDBM50413401
PNG
(ORMETOPRIM)
Show SMILES COc1cc(C)c(Cc2cnc(N)nc2N)cc1OC
Show InChI InChI=1S/C14H18N4O2/c1-8-4-11(19-2)12(20-3)6-9(8)5-10-7-17-14(16)18-13(10)15/h4,6-7H,5H2,1-3H3,(H4,15,16,17,18)
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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 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)
BDBM50413386
PNG
(CHEMBL492787)
Show SMILES COc1cc(C(C)C)c(cc1OC)C(O)c1cnc(N)nc1N
Show InChI InChI=1S/C16H22N4O3/c1-8(2)9-5-12(22-3)13(23-4)6-10(9)14(21)11-7-19-16(18)20-15(11)17/h5-8,14,21H,1-4H3,(H4,17,18,19,20)
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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 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
PurinergicP2X2/3


(HUMAN)
BDBM50413401
PNG
(ORMETOPRIM)
Show SMILES COc1cc(C)c(Cc2cnc(N)nc2N)cc1OC
Show InChI InChI=1S/C14H18N4O2/c1-8-4-11(19-2)12(20-3)6-9(8)5-10-7-17-14(16)18-13(10)15/h4,6-7H,5H2,1-3H3,(H4,15,16,17,18)
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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
Inhibition of P2X2 receptor


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
PurinergicP2X2/3


(HUMAN)
BDBM50413387
PNG
(CHEMBL492786)
Show SMILES COc1cc(Cc2cnc(N)nc2N)c(cc1OC)C1CCC1
Show InChI InChI=1S/C17H22N4O2/c1-22-14-7-11(6-12-9-20-17(19)21-16(12)18)13(8-15(14)23-2)10-4-3-5-10/h7-10H,3-6H2,1-2H3,(H4,18,19,20,21)
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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
Inhibition of P2X2 receptor


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
PurinergicP2X2/3


(HUMAN)
BDBM50413390
PNG
(CHEMBL494239)
Show SMILES COc1cc(Cc2cnc(N)nc2N)c(cc1OC)C1CC1
Show InChI InChI=1S/C16H20N4O2/c1-21-13-6-10(5-11-8-19-16(18)20-15(11)17)12(9-3-4-9)7-14(13)22-2/h6-9H,3-5H2,1-2H3,(H4,17,18,19,20)
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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
Inhibition of P2X2 receptor


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 4


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



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X4 receptor


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 1


(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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Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X1 receptor


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)
BDBM50413385
PNG
(CHEMBL492788)
Show SMILES COc1cc(C(C)C)c(cc1OC)C(=O)c1cnc(N)nc1N
Show InChI InChI=1S/C16H20N4O3/c1-8(2)9-5-12(22-3)13(23-4)6-10(9)14(21)11-7-19-16(18)20-15(11)17/h5-8H,1-4H3,(H4,17,18,19,20)
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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 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
PurinergicP2X2/3


(HUMAN)
BDBM50413392
PNG
(CHEMBL524043)
Show SMILES CCCc1cc(OC)c(OC)cc1Cc1cnc(N)nc1N
Show InChI InChI=1S/C16H22N4O2/c1-4-5-10-7-13(21-2)14(22-3)8-11(10)6-12-9-19-16(18)20-15(12)17/h7-9H,4-6H2,1-3H3,(H4,17,18,19,20)
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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
Inhibition of P2X2 receptor


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
PurinergicP2X2/3


(HUMAN)
BDBM50413402
PNG
(CHEMBL492969)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C1=NCCN1
Show InChI InChI=1S/C17H22N6O2/c1-9(2)10-6-12(24-3)11(16-20-4-5-21-16)7-13(10)25-14-8-22-17(19)23-15(14)18/h6-9H,4-5H2,1-3H3,(H,20,21)(H4,18,19,22,23)
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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
Inhibition of P2X2 receptor


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
PurinergicP2X2/3


(HUMAN)
BDBM50413389
PNG
(CHEMBL494240)
Show SMILES COc1cc(CC(C)C)c(Cc2cnc(N)nc2N)cc1OC
Show InChI InChI=1S/C17H24N4O2/c1-10(2)5-11-7-14(22-3)15(23-4)8-12(11)6-13-9-20-17(19)21-16(13)18/h7-10H,5-6H2,1-4H3,(H4,18,19,20,21)
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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
Inhibition of P2X2 receptor


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
PurinergicP2X2/3


(HUMAN)
BDBM50413393
PNG
(CHEMBL494761)
Show SMILES CCc1cc(OC)c(OC)cc1Cc1cnc(N)nc1N
Show InChI InChI=1S/C15H20N4O2/c1-4-9-6-12(20-2)13(21-3)7-10(9)5-11-8-18-15(17)19-14(11)16/h6-8H,4-5H2,1-3H3,(H4,16,17,18,19)
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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
Inhibition of P2X2 receptor


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
* indicates data uncertainty>20%