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Compile Data Set for Download or QSAR

Found 205 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 2'   
Target
(Institution)
LigandTarget
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
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)

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)

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)

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)

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)

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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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)

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
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c cells by FLIPR


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

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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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)

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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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)

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)

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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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)

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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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)

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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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)

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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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)

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)

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)

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)

More data for this
Ligand-Target Pair
Purinergic, P2X2


(RAT)
BDBM50336781
PNG
(CHEMBL1672104 | Disodium 1-Amino-4-[3-(4,6-dichlor...)
Show SMILES Nc1c(cc(Nc2ccc(c(Nc3nc(Cl)nc(Cl)n3)c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C23H14Cl2N6O8S2/c24-21-29-22(25)31-23(30-21)28-12-7-9(5-6-14(12)40(34,35)36)27-13-8-15(41(37,38)39)18(26)17-16(13)19(32)10-3-1-2-4-11(10)20(17)33/h1-8,27H,26H2,(H,34,35,36)(H,37,38,39)(H,28,29,30,31)/p-2
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n/an/a 79n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity against rat P2X2 receptor expressed in Xenopus laevis oocyte assessed as inhibition of alpha, beta-meATP-induced inward current b...


J Med Chem 54: 817-30 (2012)

More data for this
Ligand-Target Pair
Purinergic, P2X2


(RAT)
BDBM50336796
PNG
(CHEMBL1672105 | Sodium 1-Amino-4-[3-(4,6-dichloro[...)
Show SMILES Nc1c(cc(Nc2cccc(Nc3nc(Cl)nc(Cl)n3)c2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C23H14Cl2N6O5S/c24-21-29-22(25)31-23(30-21)28-11-5-3-4-10(8-11)27-14-9-15(37(34,35)36)18(26)17-16(14)19(32)12-6-1-2-7-13(12)20(17)33/h1-9,27H,26H2,(H,34,35,36)(H,28,29,30,31)/p-1
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University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity against rat P2X2 receptor expressed in Xenopus laevis oocyte assessed as inhibition of alpha, beta-meATP-induced inward current b...


J Med Chem 54: 817-30 (2012)

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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Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X2 receptor


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

More data for this
Ligand-Target Pair
Purinergic, P2X2


(RAT)
BDBM50227020
PNG
(CHEMBL271672 | sodium 1-amino-4-(3-chlorophenylami...)
Show SMILES Nc1c(cc(Nc2cccc(Cl)c2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C20H13ClN2O5S/c21-10-4-3-5-11(8-10)23-14-9-15(29(26,27)28)18(22)17-16(14)19(24)12-6-1-2-7-13(12)20(17)25/h1-9,23H,22H2,(H,26,27,28)/p-1
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n/an/a 100n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity against rat P2X2 receptor expressed in Xenopus laevis oocyte assessed as inhibition of alpha, beta-meATP-induced inward current b...


J Med Chem 54: 817-30 (2012)

More data for this
Ligand-Target Pair
Purinergic, P2X2


(RAT)
BDBM50268875
PNG
(CHEMBL496401 | Sodium 1-amino-4-[4-(4,6-dichloro-[...)
Show SMILES Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Cl)n3)cc2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C23H14Cl2N6O5S/c24-21-29-22(25)31-23(30-21)28-11-7-5-10(6-8-11)27-14-9-15(37(34,35)36)18(26)17-16(14)19(32)12-3-1-2-4-13(12)20(17)33/h1-9,27H,26H2,(H,34,35,36)(H,28,29,30,31)/p-1
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University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity against rat P2X2 receptor expressed in Xenopus laevis oocyte assessed as inhibition of alpha, beta-meATP-induced inward current b...


J Med Chem 54: 817-30 (2012)

More data for this
Ligand-Target Pair
Purinergic, P2X2


(RAT)
BDBM50422739
PNG
(CHEMBL413145)
Show SMILES [O-]S(=O)(=O)c1cc(c2c(NC(=O)c3ccc(F)c(NC(=O)c4cccc(NC(=O)Nc5cccc(c5)C(=O)Nc5cc(ccc5F)C(=O)Nc5ccc(c6cc(cc(c56)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c4)c3)ccc(c2c1)S([O-])(=O)=O)S([O-])(=O)=O
Show InChI InChI=1S/C49H34F2N6O23S6/c50-33-9-7-25(47(60)54-35-11-13-39(83(69,70)71)31-19-29(81(63,64)65)21-41(43(31)35)85(75,76)77)17-37(33)56-45(58)23-3-1-5-27(15-23)52-49(62)53-28-6-2-4-24(16-28)46(59)57-38-18-26(8-10-34(38)51)48(61)55-36-12-14-40(84(72,73)74)32-20-30(82(66,67)68)22-42(44(32)36)86(78,79)80/h1-22H,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)/p-6
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n/an/a 138n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat P2X purinoceptor 2 expressed in Xenopus laevis oocytes


J Med Chem 48: 7040-8 (2005)

More data for this
Ligand-Target Pair
Purinergic, P2X2


(RAT)
BDBM50102298
PNG
(4-(4-Formyl-5-hydroxy-6-methyl-3-phosphonomethyl-p...)
Show SMILES Cc1nc(N=Nc2ccc(cc2)C(O)=O)c(CP(O)(O)=O)c(C=O)c1O
Show InChI InChI=1S/C15H14N3O7P/c1-8-13(20)11(6-19)12(7-26(23,24)25)14(16-8)18-17-10-4-2-9(3-5-10)15(21)22/h2-6,20H,7H2,1H3,(H,21,22)(H2,23,24,25)
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n/an/a 150n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of inward ion current elicited by ATP at P2X2 receptor expressed in Xenopus oocytes


J Med Chem 44: 340-9 (2001)

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)

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)

More data for this
Ligand-Target Pair
Purinergic, P2X2


(RAT)
BDBM50336782
PNG
(CHEMBL1672106 | Sodium 1-Amino-4-[4-(4,6-dihydroxy...)
Show SMILES Nc1c(cc(Nc2ccc(Nc3nc(=O)[nH]c(=O)[nH]3)cc2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C23H16N6O7S/c24-18-15(37(34,35)36)9-14(16-17(18)20(31)13-4-2-1-3-12(13)19(16)30)25-10-5-7-11(8-6-10)26-21-27-22(32)29-23(33)28-21/h1-9,25H,24H2,(H,34,35,36)(H3,26,27,28,29,32,33)/p-1
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n/an/a 197n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity against rat P2X2 receptor expressed in Xenopus laevis oocyte assessed as inhibition of alpha, beta-meATP-induced inward current b...


J Med Chem 54: 817-30 (2012)

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)

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)

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)

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)

More data for this
Ligand-Target Pair
Purinergic, P2X2


(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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n/an/a 280n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of inward ion current elicited by ATP at P2X2 receptor expressed in Xenopus oocytes


J Med Chem 44: 340-9 (2001)

More data for this
Ligand-Target Pair
Purinergic, P2X2


(RAT)
BDBM50268874
PNG
(CHEMBL499580 | Sodium 1-Amino-4-[3-(4,6-dichloro-[...)
Show SMILES Nc1c(cc(Nc2cc(Nc3nc(Cl)nc(Cl)n3)cc(c2)C(O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C24H14Cl2N6O7S/c25-22-30-23(26)32-24(31-22)29-11-6-9(21(35)36)5-10(7-11)28-14-8-15(40(37,38)39)18(27)17-16(14)19(33)12-3-1-2-4-13(12)20(17)34/h1-8,28H,27H2,(H,35,36)(H,37,38,39)(H,29,30,31,32)/p-1
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n/an/a 293n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity against rat P2X2 receptor expressed in Xenopus laevis oocyte assessed as inhibition of alpha, beta-meATP-induced inward current b...


J Med Chem 54: 817-30 (2012)

More data for this
Ligand-Target Pair
Purinergic, P2X2


(RAT)
BDBM50336797
PNG
(CHEMBL1672107 | Disodium 1-Amino-4-[3-(4,6-dihydro...)
Show SMILES Nc1c(cc(Nc2ccc(c(Nc3nc(=O)[nH]c(=O)[nH]3)c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C23H16N6O10S2/c24-18-15(41(37,38)39)8-13(16-17(18)20(31)11-4-2-1-3-10(11)19(16)30)25-9-5-6-14(40(34,35)36)12(7-9)26-21-27-22(32)29-23(33)28-21/h1-8,25H,24H2,(H,34,35,36)(H,37,38,39)(H3,26,27,28,29,32,33)/p-2
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n/an/a 300n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity against rat P2X2 receptor expressed in Xenopus laevis oocyte assessed as inhibition of alpha, beta-meATP-induced inward current b...


J Med Chem 54: 817-30 (2012)

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)

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)

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)

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)

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)

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)

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)

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)

More data for this
Ligand-Target Pair
Purinergic, P2X2


(RAT)
BDBM50064800
PNG
(2-(4-Formyl-5-hydroxy-6-methyl-3-phosphonooxymethy...)
Show SMILES Cc1nc(N=Nc2cc(ccc2S(O)(=O)=O)S(O)(=O)=O)c(COP(O)(O)=O)c(C=O)c1O
Show InChI InChI=1S/C14H14N3O12PS2/c1-7-13(19)9(5-18)10(6-29-30(20,21)22)14(15-7)17-16-11-4-8(31(23,24)25)2-3-12(11)32(26,27)28/h2-5,19H,6H2,1H3,(H2,20,21,22)(H,23,24,25)(H,26,27,28)
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n/an/a 398n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of inward ion current elicited by ATP at P2X2 receptor expressed in Xenopus oocytes


J Med Chem 44: 340-9 (2001)

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)

More data for this
Ligand-Target Pair
PurinergicP2X2/3


(HUMAN)
BDBM50064800
PNG
(2-(4-Formyl-5-hydroxy-6-methyl-3-phosphonooxymethy...)
Show SMILES Cc1nc(N=Nc2cc(ccc2S(O)(=O)=O)S(O)(=O)=O)c(COP(O)(O)=O)c(C=O)c1O
Show InChI InChI=1S/C14H14N3O12PS2/c1-7-13(19)9(5-18)10(6-29-30(20,21)22)14(15-7)17-16-11-4-8(31(23,24)25)2-3-12(11)32(26,27)28/h2-5,19H,6H2,1H3,(H2,20,21,22)(H,23,24,25)(H,26,27,28)
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n/an/a 400n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
The compound was evaluated for antagonist activity against recombinant rat P2X purinoceptor 2 (P2X2) receptor 10 uM


J Med Chem 45: 4057-93 (2002)

More data for this
Ligand-Target Pair
Purinergic, P2X2


(RAT)
BDBM50102296
PNG
(2-(4-Formyl-5-hydroxy-6-methyl-3-phosphonomethyl-p...)
Show SMILES Cc1nc(N=Nc2cc(ccc2C(O)=O)C(O)=O)c(CP(O)(O)=O)c(C=O)c1O
Show InChI InChI=1S/C16H14N3O9P/c1-7-13(21)10(5-20)11(6-29(26,27)28)14(17-7)19-18-12-4-8(15(22)23)2-3-9(12)16(24)25/h2-5,21H,6H2,1H3,(H,22,23)(H,24,25)(H2,26,27,28)
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n/an/a 486n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of inward ion current elicited by ATP at P2X2 receptor expressed in Xenopus oocytes


J Med Chem 44: 340-9 (2001)

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)

More data for this
Ligand-Target Pair
Purinergic, P2X2


(RAT)
BDBM50268876
PNG
(CHEMBL509572 | Disodium 1-amino-4-[4-(4-chloro-6-m...)
Show SMILES COc1nc(Cl)nc(Nc2ccc(Nc3cc(c(N)c4C(=O)c5ccccc5C(=O)c34)S([O-])(=O)=O)cc2S([O-])(=O)=O)n1
Show InChI InChI=1S/C24H17ClN6O9S2/c1-40-24-30-22(25)29-23(31-24)28-13-7-6-10(8-15(13)41(34,35)36)27-14-9-16(42(37,38)39)19(26)18-17(14)20(32)11-4-2-3-5-12(11)21(18)33/h2-9,27H,26H2,1H3,(H,34,35,36)(H,37,38,39)(H,28,29,30,31)/p-2
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n/an/a 582n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity against rat P2X2 receptor expressed in Xenopus laevis oocyte assessed as inhibition of alpha, beta-meATP-induced inward current b...


J Med Chem 54: 817-30 (2012)

More data for this
Ligand-Target Pair
Purinergic, P2X2


(RAT)
BDBM50268725
PNG
(CHEMBL496030 | sodium 1-amino-4-(4-hydroxyphenylam...)
Show SMILES Nc1c(cc(Nc2ccc(O)cc2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C20H14N2O6S/c21-18-15(29(26,27)28)9-14(22-10-5-7-11(23)8-6-10)16-17(18)20(25)13-4-2-1-3-12(13)19(16)24/h1-9,22-23H,21H2,(H,26,27,28)/p-1
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n/an/a 588n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity against rat P2X2 receptor expressed in Xenopus laevis oocyte assessed as inhibition of alpha, beta-meATP-induced inward current b...


J Med Chem 54: 817-30 (2012)

More data for this
Ligand-Target Pair
Purinergic, P2X2


(RAT)
BDBM50336768
PNG
(CHEMBL1671995 | sodium 1-amino-4-(3-methoxyphenyla...)
Show SMILES COc1cccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)c1
Show InChI InChI=1S/C21H16N2O6S/c1-29-12-6-4-5-11(9-12)23-15-10-16(30(26,27)28)19(22)18-17(15)20(24)13-7-2-3-8-14(13)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)/p-1
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University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity against rat P2X2 receptor expressed in Xenopus laevis oocyte assessed as inhibition of alpha, beta-meATP-induced inward current b...


J Med Chem 54: 817-30 (2012)

More data for this
Ligand-Target Pair
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