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Compile Data Set for Download or QSAR

Found 74 hits of ic50 for UniProtKB: P49653   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
P2X purinoceptor 2


(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)


Article DOI: 10.1021/jm1012193
BindingDB Entry DOI: 10.7270/Q2VH5PTG
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(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)


Article DOI: 10.1021/jm1012193
BindingDB Entry DOI: 10.7270/Q2VH5PTG
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(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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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)


Article DOI: 10.1021/jm1012193
BindingDB Entry DOI: 10.7270/Q2VH5PTG
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(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)


Article DOI: 10.1021/jm1012193
BindingDB Entry DOI: 10.7270/Q2VH5PTG
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(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)


Article DOI: 10.1021/jm050301p
BindingDB Entry DOI: 10.7270/Q2JM2BZ7
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(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 |w:5.5|
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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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)


BindingDB Entry DOI: 10.7270/Q2FN15HC
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(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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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)


Article DOI: 10.1021/jm1012193
BindingDB Entry DOI: 10.7270/Q2VH5PTG
More data for this
Ligand-Target Pair
P2X purinoceptor 2


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


BindingDB Entry DOI: 10.7270/Q2FN15HC
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(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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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)


Article DOI: 10.1021/jm1012193
BindingDB Entry DOI: 10.7270/Q2VH5PTG
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(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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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)


Article DOI: 10.1021/jm1012193
BindingDB Entry DOI: 10.7270/Q2VH5PTG
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(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 |w:4.3|
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)


BindingDB Entry DOI: 10.7270/Q2FN15HC
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(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 |w:5.5|
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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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)


BindingDB Entry DOI: 10.7270/Q2FN15HC
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(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 570n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at wild type His6 tagged rat P2X1 receptor expressed in Xenopus laevis oocytes assessed as inhibition of alphabeta-me ATP-induced...


Eur J Med Chem 151: 462-481 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.023
BindingDB Entry DOI: 10.7270/Q2S75JWB
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(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)


Article DOI: 10.1021/jm1012193
BindingDB Entry DOI: 10.7270/Q2VH5PTG
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(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)


Article DOI: 10.1021/jm1012193
BindingDB Entry DOI: 10.7270/Q2VH5PTG
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(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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n/an/a 623n/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)


Article DOI: 10.1021/jm1012193
BindingDB Entry DOI: 10.7270/Q2VH5PTG
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(RAT)
BDBM50227015
PNG
(CHEMBL271688 | Sodium 1-amino-4-(4-acetylaminophen...)
Show SMILES CC(=O)Nc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)cc1
Show InChI InChI=1S/C22H17N3O6S/c1-11(26)24-12-6-8-13(9-7-12)25-16-10-17(32(29,30)31)20(23)19-18(16)21(27)14-4-2-3-5-15(14)22(19)28/h2-10,25H,23H2,1H3,(H,24,26)(H,29,30,31)/p-1
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n/an/a 690n/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)


Article DOI: 10.1021/jm1012193
BindingDB Entry DOI: 10.7270/Q2VH5PTG
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(RAT)
BDBM50336787
PNG
(CHEMBL445413 | sodium 1-amino-9,10-dioxo-4-(m-toly...)
Show SMILES Cc1cccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)c1
Show InChI InChI=1S/C21H16N2O5S/c1-11-5-4-6-12(9-11)23-15-10-16(29(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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n/an/a 800n/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)


Article DOI: 10.1021/jm1012193
BindingDB Entry DOI: 10.7270/Q2VH5PTG
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(RAT)
BDBM50102300
PNG
(CHEMBL331250 | [4-(4-Formyl-5-hydroxy-6-methyl-3-p...)
Show SMILES Cc1nc(N=Nc2ccc(cc2)P(O)(O)=O)c(CP(O)(O)=O)c(C=O)c1O |w:5.5|
Show InChI InChI=1S/C14H15N3O8P2/c1-8-13(19)11(6-18)12(7-26(20,21)22)14(15-8)17-16-9-2-4-10(5-3-9)27(23,24)25/h2-6,19H,7H2,1H3,(H2,20,21,22)(H2,23,24,25)
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n/an/a 948n/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)


BindingDB Entry DOI: 10.7270/Q2FN15HC
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(RAT)
BDBM50268635
PNG
(CHEMBL450832 | sodium 1-amino-4-(2-aminophenylamin...)
Show SMILES Nc1ccccc1Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C20H15N3O5S/c21-12-7-3-4-8-13(12)23-14-9-15(29(26,27)28)18(22)17-16(14)19(24)10-5-1-2-6-11(10)20(17)25/h1-9,23H,21-22H2,(H,26,27,28)/p-1
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n/an/a 1.00E+3n/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)


Article DOI: 10.1021/jm1012193
BindingDB Entry DOI: 10.7270/Q2VH5PTG
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(RAT)
BDBM50336776
PNG
(CHEMBL597820 | sodium 1-amino-4-(3-aminophenylamin...)
Show SMILES Nc1cccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)c1
Show InChI InChI=1S/C20H15N3O5S/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,21-22H2,(H,26,27,28)/p-1
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n/an/a 1.00E+3n/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)


Article DOI: 10.1021/jm1012193
BindingDB Entry DOI: 10.7270/Q2VH5PTG
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(RAT)
BDBM50227018
PNG
(CHEMBL404659 | Sodium 1-amino-4-(3-nitrophenylamin...)
Show SMILES Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2cccc(c2)[N+]([O-])=O)cc1S([O-])(=O)=O
Show InChI InChI=1S/C20H13N3O7S/c21-18-15(31(28,29)30)9-14(22-10-4-3-5-11(8-10)23(26)27)16-17(18)20(25)13-7-2-1-6-12(13)19(16)24/h1-9,22H,21H2,(H,28,29,30)/p-1
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n/an/a>1.00E+3n/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)


Article DOI: 10.1021/jm1012193
BindingDB Entry DOI: 10.7270/Q2VH5PTG
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(RAT)
BDBM50268767
PNG
(CHEMBL524284 | sodium 1-amino-4-(2-carboxy-4-chlor...)
Show SMILES Nc1c(cc(Nc2ccc(Cl)cc2C(O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C21H13ClN2O7S/c22-9-5-6-13(12(7-9)21(27)28)24-14-8-15(32(29,30)31)18(23)17-16(14)19(25)10-3-1-2-4-11(10)20(17)26/h1-8,24H,23H2,(H,27,28)(H,29,30,31)/p-1
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n/an/a 1.00E+3n/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)


Article DOI: 10.1021/jm1012193
BindingDB Entry DOI: 10.7270/Q2VH5PTG
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(RAT)
BDBM50268768
PNG
(CHEMBL522053 | sodium 1-amino-4-(2-carboxy-5-chlor...)
Show SMILES Nc1c(cc(Nc2cc(Cl)ccc2C(O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C21H13ClN2O7S/c22-9-5-6-12(21(27)28)13(7-9)24-14-8-15(32(29,30)31)18(23)17-16(14)19(25)10-3-1-2-4-11(10)20(17)26/h1-8,24H,23H2,(H,27,28)(H,29,30,31)/p-1
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n/an/a 1.00E+3n/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)


Article DOI: 10.1021/jm1012193
BindingDB Entry DOI: 10.7270/Q2VH5PTG
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(RAT)
BDBM50268726
PNG
(CHEMBL521709 | Disodium 1-amino-4-(3-amino-4-sulfo...)
Show SMILES Nc1cc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)ccc1S([O-])(=O)=O
Show InChI InChI=1S/C20H15N3O8S2/c21-12-7-9(5-6-14(12)32(26,27)28)23-13-8-15(33(29,30)31)18(22)17-16(13)19(24)10-3-1-2-4-11(10)20(17)25/h1-8,23H,21-22H2,(H,26,27,28)(H,29,30,31)/p-2
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n/an/a 1.00E+3n/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)


Article DOI: 10.1021/jm1012193
BindingDB Entry DOI: 10.7270/Q2VH5PTG
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(RAT)
BDBM50268727
PNG
(CHEMBL495834 | Disodium 1-amino-4-(4-amino-3-sulfo...)
Show SMILES Nc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)cc1S([O-])(=O)=O
Show InChI InChI=1S/C20H15N3O8S2/c21-12-6-5-9(7-14(12)32(26,27)28)23-13-8-15(33(29,30)31)18(22)17-16(13)19(24)10-3-1-2-4-11(10)20(17)25/h1-8,23H,21-22H2,(H,26,27,28)(H,29,30,31)/p-2
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n/an/a 1.00E+3n/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)


Article DOI: 10.1021/jm1012193
BindingDB Entry DOI: 10.7270/Q2VH5PTG
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(RAT)
BDBM50268765
PNG
(CHEMBL498038 | sodium 1-amino-4-(3-amino-5-carboxy...)
Show SMILES Nc1cc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)cc(c1)C(O)=O
Show InChI InChI=1S/C21H15N3O7S/c22-10-5-9(21(27)28)6-11(7-10)24-14-8-15(32(29,30)31)18(23)17-16(14)19(25)12-3-1-2-4-13(12)20(17)26/h1-8,24H,22-23H2,(H,27,28)(H,29,30,31)/p-1
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n/an/a 1.00E+3n/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)


Article DOI: 10.1021/jm1012193
BindingDB Entry DOI: 10.7270/Q2VH5PTG
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(RAT)
BDBM50118211
PNG
(Acid Blue 129 | CHEMBL133576 | cid_23675739 | sodi...)
Show SMILES Cc1cc(C)c(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)c(C)c1
Show InChI InChI=1S/C23H20N2O5S/c1-11-8-12(2)21(13(3)9-11)25-16-10-17(31(28,29)30)20(24)19-18(16)22(26)14-6-4-5-7-15(14)23(19)27/h4-10,25H,24H2,1-3H3,(H,28,29,30)/p-1
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n/an/a 1.00E+3n/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)


Article DOI: 10.1021/jm1012193
BindingDB Entry DOI: 10.7270/Q2VH5PTG
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(RAT)
BDBM50268873
PNG
(CHEMBL495796 | Sodium 1-amino-4-(3-amino-2,4,6-tri...)
Show SMILES Cc1cc(C)c(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)c(C)c1N
Show InChI InChI=1S/C23H21N3O5S/c1-10-8-11(2)21(12(3)19(10)24)26-15-9-16(32(29,30)31)20(25)18-17(15)22(27)13-6-4-5-7-14(13)23(18)28/h4-9,26H,24-25H2,1-3H3,(H,29,30,31)/p-1
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n/an/a 1.00E+3n/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)


Article DOI: 10.1021/jm1012193
BindingDB Entry DOI: 10.7270/Q2VH5PTG
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(RAT)
BDBM50336777
PNG
(CHEMBL597591 | sodium 1-amino-4-(4-(carboxymethyl)...)
Show SMILES Nc1c(cc(Nc2ccc(CC(O)=O)cc2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C22H16N2O7S/c23-20-16(32(29,30)31)10-15(24-12-7-5-11(6-8-12)9-17(25)26)18-19(20)22(28)14-4-2-1-3-13(14)21(18)27/h1-8,10,24H,9,23H2,(H,25,26)(H,29,30,31)/p-1
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n/an/a 1.00E+3n/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)


Article DOI: 10.1021/jm1012193
BindingDB Entry DOI: 10.7270/Q2VH5PTG
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(RAT)
BDBM50336778
PNG
(CHEMBL596982 | Sodium 1-amino-4-[4-(diethoxyphosph...)
Show SMILES CCOP(=O)(Cc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)cc1)OCC
Show InChI InChI=1S/C25H25N2O8PS/c1-3-34-36(30,35-4-2)14-15-9-11-16(12-10-15)27-19-13-20(37(31,32)33)23(26)22-21(19)24(28)17-7-5-6-8-18(17)25(22)29/h5-13,27H,3-4,14,26H2,1-2H3,(H,31,32,33)/p-1
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n/an/a 1.00E+3n/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)


Article DOI: 10.1021/jm1012193
BindingDB Entry DOI: 10.7270/Q2VH5PTG
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(RAT)
BDBM50336779
PNG
(CHEMBL1672102 | sodium 1-amino-4-(3-carboxy-4-hydr...)
Show SMILES Nc1c(cc(Nc2ccc(O)c(c2)C(O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C21H14N2O8S/c22-18-15(32(29,30)31)8-13(23-9-5-6-14(24)12(7-9)21(27)28)16-17(18)20(26)11-4-2-1-3-10(11)19(16)25/h1-8,23-24H,22H2,(H,27,28)(H,29,30,31)/p-1
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n/an/a 1.00E+3n/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)


Article DOI: 10.1021/jm1012193
BindingDB Entry DOI: 10.7270/Q2VH5PTG
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(RAT)
BDBM50336780
PNG
(CHEMBL1672103 | sodium 1-amino-4-(3-amino-2-methyl...)
Show SMILES Cc1c(N)cccc1Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C21H17N3O5S/c1-10-13(22)7-4-8-14(10)24-15-9-16(30(27,28)29)19(23)18-17(15)20(25)11-5-2-3-6-12(11)21(18)26/h2-9,24H,22-23H2,1H3,(H,27,28,29)/p-1
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n/an/a 1.00E+3n/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)


Article DOI: 10.1021/jm1012193
BindingDB Entry DOI: 10.7270/Q2VH5PTG
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(RAT)
BDBM50268965
PNG
(CHEMBL499428 | Disodium 1-amino-4-[4-([1,3]diazine...)
Show SMILES Nc1c(cc(Nc2ccc(Nc3ncccn3)c(c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C24H17N5O8S2/c25-21-18(39(35,36)37)11-16(19-20(21)23(31)14-5-2-1-4-13(14)22(19)30)28-12-6-7-15(17(10-12)38(32,33)34)29-24-26-8-3-9-27-24/h1-11,28H,25H2,(H,26,27,29)(H,32,33,34)(H,35,36,37)/p-2
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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)


Article DOI: 10.1021/jm1012193
BindingDB Entry DOI: 10.7270/Q2VH5PTG
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(RAT)
BDBM50268966
PNG
(CHEMBL496229 | Sodium 1-Amino-4-[4-([1,3]diazine-2...)
Show SMILES Nc1c(cc(Nc2ccc(Nc3ncccn3)cc2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C24H17N5O5S/c25-21-18(35(32,33)34)12-17(19-20(21)23(31)16-5-2-1-4-15(16)22(19)30)28-13-6-8-14(9-7-13)29-24-26-10-3-11-27-24/h1-12,28H,25H2,(H,26,27,29)(H,32,33,34)/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)


Article DOI: 10.1021/jm1012193
BindingDB Entry DOI: 10.7270/Q2VH5PTG
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(RAT)
BDBM50336775
PNG
(CHEMBL604300 | sodium 1-amino-4-(4-carboxyphenylam...)
Show SMILES Nc1c(cc(Nc2ccc(cc2)C(O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C21H14N2O7S/c22-18-15(31(28,29)30)9-14(23-11-7-5-10(6-8-11)21(26)27)16-17(18)20(25)13-4-2-1-3-12(13)19(16)24/h1-9,23H,22H2,(H,26,27)(H,28,29,30)/p-1
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n/an/a 1.00E+3n/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)


Article DOI: 10.1021/jm1012193
BindingDB Entry DOI: 10.7270/Q2VH5PTG
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(RAT)
BDBM50336774
PNG
(CHEMBL598857 | sodium 1-amino-4-(3-carboxyphenylam...)
Show SMILES Nc1c(cc(Nc2cccc(c2)C(O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C21H14N2O7S/c22-18-15(31(28,29)30)9-14(23-11-5-3-4-10(8-11)21(26)27)16-17(18)20(25)13-7-2-1-6-12(13)19(16)24/h1-9,23H,22H2,(H,26,27)(H,28,29,30)/p-1
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n/an/a 1.00E+3n/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)


Article DOI: 10.1021/jm1012193
BindingDB Entry DOI: 10.7270/Q2VH5PTG
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(RAT)
BDBM50268686
PNG
(CHEMBL496022 | sodium 1-amino-9,10-dioxo-4-(4-sulf...)
Show SMILES Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2ccc(cc2)S([O-])(=O)=O)cc1S([O-])(=O)=O
Show InChI InChI=1S/C20H14N2O8S2/c21-18-15(32(28,29)30)9-14(22-10-5-7-11(8-6-10)31(25,26)27)16-17(18)20(24)13-4-2-1-3-12(13)19(16)23/h1-9,22H,21H2,(H,25,26,27)(H,28,29,30)/p-2
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n/an/a 1.00E+3n/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)


Article DOI: 10.1021/jm1012193
BindingDB Entry DOI: 10.7270/Q2VH5PTG
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(RAT)
BDBM50336795
PNG
(CHEMBL1672099 | Sodium 1-amino-4-(3,5-difluorophen...)
Show SMILES Nc1c(cc(Nc2cc(F)cc(F)c2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C20H12F2N2O5S/c21-9-5-10(22)7-11(6-9)24-14-8-15(30(27,28)29)18(23)17-16(14)19(25)12-3-1-2-4-13(12)20(17)26/h1-8,24H,23H2,(H,27,28,29)/p-1
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n/an/a>1.00E+3n/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)


Article DOI: 10.1021/jm1012193
BindingDB Entry DOI: 10.7270/Q2VH5PTG
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(RAT)
BDBM50336772
PNG
(CHEMBL1672098 | sodium 1-amino-4-(3-bromophenylami...)
Show SMILES Nc1c(cc(Nc2cccc(Br)c2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C20H13BrN2O5S/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 1.00E+3n/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)


Article DOI: 10.1021/jm1012193
BindingDB Entry DOI: 10.7270/Q2VH5PTG
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(RAT)
BDBM50336771
PNG
(CHEMBL604158 | sodium 1-amino-4-(4-fluorophenylami...)
Show SMILES Nc1c(cc(Nc2ccc(F)cc2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C20H13FN2O5S/c21-10-5-7-11(8-6-10)23-14-9-15(29(26,27)28)18(22)17-16(14)19(24)12-3-1-2-4-13(12)20(17)25/h1-9,23H,22H2,(H,26,27,28)/p-1
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n/an/a 1.00E+3n/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)


Article DOI: 10.1021/jm1012193
BindingDB Entry DOI: 10.7270/Q2VH5PTG
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(RAT)
BDBM50336794
PNG
(CHEMBL1671997 | Sodium 1-amino-4-(3-flourophenylam...)
Show SMILES Nc1c(cc(Nc2cccc(F)c2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C20H13FN2O5S/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>1.00E+3n/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)


Article DOI: 10.1021/jm1012193
BindingDB Entry DOI: 10.7270/Q2VH5PTG
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(RAT)
BDBM50336770
PNG
(CHEMBL597203 | Sodium 1-amino-4-(4-phenoxyphenylam...)
Show SMILES Nc1c(cc(Nc2ccc(Oc3ccccc3)cc2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C26H18N2O6S/c27-24-21(35(31,32)33)14-20(22-23(24)26(30)19-9-5-4-8-18(19)25(22)29)28-15-10-12-17(13-11-15)34-16-6-2-1-3-7-16/h1-14,28H,27H2,(H,31,32,33)/p-1
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n/an/a 1.00E+3n/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)


Article DOI: 10.1021/jm1012193
BindingDB Entry DOI: 10.7270/Q2VH5PTG
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(RAT)
BDBM50336769
PNG
(CHEMBL403051 | sodium 1-amino-4-(2-ethoxyphenylami...)
Show SMILES CCOc1ccccc1Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C22H18N2O6S/c1-2-30-16-10-6-5-9-14(16)24-15-11-17(31(27,28)29)20(23)19-18(15)21(25)12-7-3-4-8-13(12)22(19)26/h3-11,24H,2,23H2,1H3,(H,27,28,29)/p-1
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n/an/a 1.00E+3n/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)


Article DOI: 10.1021/jm1012193
BindingDB Entry DOI: 10.7270/Q2VH5PTG
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(RAT)
BDBM50336793
PNG
(CHEMBL1671996 | Sodium 1-amino-4-(3,5-dimethoxyphe...)
Show SMILES COc1cc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)cc(OC)c1
Show InChI InChI=1S/C22H18N2O7S/c1-30-12-7-11(8-13(9-12)31-2)24-16-10-17(32(27,28)29)20(23)19-18(16)21(25)14-5-3-4-6-15(14)22(19)26/h3-10,24H,23H2,1-2H3,(H,27,28,29)/p-1
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n/an/a>1.00E+3n/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)


Article DOI: 10.1021/jm1012193
BindingDB Entry DOI: 10.7270/Q2VH5PTG
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(RAT)
BDBM50268687
PNG
(CHEMBL522725 | sodium 1-amino-4-(2-hydroxyphenylam...)
Show SMILES Nc1c(cc(Nc2ccccc2O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C20H14N2O6S/c21-18-15(29(26,27)28)9-13(22-12-7-3-4-8-14(12)23)16-17(18)20(25)11-6-2-1-5-10(11)19(16)24/h1-9,22-23H,21H2,(H,26,27,28)/p-1
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n/an/a 1.00E+3n/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)


Article DOI: 10.1021/jm1012193
BindingDB Entry DOI: 10.7270/Q2VH5PTG
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(RAT)
BDBM50336792
PNG
(CHEMBL256688 | sodium 1-amino-4-(2,4-dimethylpheny...)
Show SMILES Cc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)c(C)c1
Show InChI InChI=1S/C22H18N2O5S/c1-11-7-8-15(12(2)9-11)24-16-10-17(30(27,28)29)20(23)19-18(16)21(25)13-5-3-4-6-14(13)22(19)26/h3-10,24H,23H2,1-2H3,(H,27,28,29)/p-1
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n/an/a 1.00E+3n/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)


Article DOI: 10.1021/jm1012193
BindingDB Entry DOI: 10.7270/Q2VH5PTG
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(RAT)
BDBM50336791
PNG
(CHEMBL402239 | sodium 1-amino-4-(2,3-dimethylpheny...)
Show SMILES Cc1cccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)c1C
Show InChI InChI=1S/C22H18N2O5S/c1-11-6-5-9-15(12(11)2)24-16-10-17(30(27,28)29)20(23)19-18(16)21(25)13-7-3-4-8-14(13)22(19)26/h3-10,24H,23H2,1-2H3,(H,27,28,29)/p-1
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n/an/a 1.00E+3n/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)


Article DOI: 10.1021/jm1012193
BindingDB Entry DOI: 10.7270/Q2VH5PTG
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(RAT)
BDBM50336790
PNG
(CHEMBL1671993 | Sodium 1-amino-4-(3-ethylphenylami...)
Show SMILES CCc1cccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)c1
Show InChI InChI=1S/C22H18N2O5S/c1-2-12-6-5-7-13(10-12)24-16-11-17(30(27,28)29)20(23)19-18(16)21(25)14-8-3-4-9-15(14)22(19)26/h3-11,24H,2,23H2,1H3,(H,27,28,29)/p-1
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n/an/a>1.00E+3n/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)


Article DOI: 10.1021/jm1012193
BindingDB Entry DOI: 10.7270/Q2VH5PTG
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(RAT)
BDBM50336789
PNG
(CHEMBL1671992 | Sodium 1-amino-4-(3-trifluoromethy...)
Show SMILES Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2cccc(c2)C(F)(F)F)cc1S([O-])(=O)=O
Show InChI InChI=1S/C21H13F3N2O5S/c22-21(23,24)10-4-3-5-11(8-10)26-14-9-15(32(29,30)31)18(25)17-16(14)19(27)12-6-1-2-7-13(12)20(17)28/h1-9,26H,25H2,(H,29,30,31)/p-1
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n/an/a>1.00E+3n/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)


Article DOI: 10.1021/jm1012193
BindingDB Entry DOI: 10.7270/Q2VH5PTG
More data for this
Ligand-Target Pair
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