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Compile Data Set for Download or QSAR

Found 226 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 4'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
P2X purinoceptor 4


(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 81n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat P2X purinoceptor 1 expressed in Xenopus laevis oocytes


J Med Chem 48: 7040-8 (2005)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(HUMAN)
BDBM50399165
PNG
(CHEMBL2180137)
Show SMILES O=C(OCc1ccccc1)N1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C20H15NO3/c22-20(23-14-15-8-2-1-3-9-15)21-16-10-4-6-12-18(16)24-19-13-7-5-11-17(19)21/h1-13H,14H2
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n/an/a 189n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X4 receptor expressed in 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx compound preincub...


J Med Chem 55: 9576-88 (2012)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(HUMAN)
BDBM50399165
PNG
(CHEMBL2180137)
Show SMILES O=C(OCc1ccccc1)N1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C20H15NO3/c22-20(23-14-15-8-2-1-3-9-15)21-16-10-4-6-12-18(16)24-19-13-7-5-11-17(19)21/h1-13H,14H2
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n/an/a 189n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X4 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx preincubate...


Bioorg Med Chem 22: 1077-88 (2014)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(HUMAN)
BDBM50399207
PNG
(CHEMBL2180179)
Show SMILES Brc1cccc(c1)C1=NCC(=O)Nc2c1oc1ccccc21
Show InChI InChI=1S/C17H11BrN2O2/c18-11-5-3-4-10(8-11)15-17-16(20-14(21)9-19-15)12-6-1-2-7-13(12)22-17/h1-8H,9H2,(H,20,21)
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n/an/a 500n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X4 receptor expressed in 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx compound preincub...


J Med Chem 55: 9576-88 (2012)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(RAT)
BDBM50399183
PNG
(CHEMBL2180160)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C19H15NO3S/c1-14-10-12-15(13-11-14)24(21,22)20-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2-13H,1H3
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n/an/a 928n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X4 receptor by cell-based calcium influx assay


J Med Chem 55: 9576-88 (2012)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(HUMAN)
BDBM50399163
PNG
(CHEMBL2180139)
Show SMILES Clc1ccc(COC(=O)N2c3ccccc3Oc3ccccc23)cc1
Show InChI InChI=1S/C20H14ClNO3/c21-15-11-9-14(10-12-15)13-24-20(23)22-16-5-1-3-7-18(16)25-19-8-4-2-6-17(19)22/h1-12H,13H2
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n/an/a 1.02E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X4 receptor expressed in 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx compound preincub...


J Med Chem 55: 9576-88 (2012)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Mus musculus)
BDBM50370141
PNG
(TNP-ATP)
Show SMILES Nc1ncnc2n(cnc12)C1OC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C2OC3(OC12)C(=C[C-](C=C3[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C16H16N8O19P3/c17-13-10-14(19-4-18-13)21(5-20-10)15-12-11(7(39-15)3-38-45(34,35)43-46(36,37)42-44(31,32)33)40-16(41-12)8(23(27)28)1-6(22(25)26)2-9(16)24(29)30/h1-2,4-5,7,11-12,15H,3H2,(H,34,35)(H,36,37)(H2,17,18,19)(H2,31,32,33)/q-1
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n/an/a 1.28E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2X4 receptor by cell-based calcium influx assay


J Med Chem 55: 9576-88 (2012)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(HUMAN)
BDBM50399183
PNG
(CHEMBL2180160)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C19H15NO3S/c1-14-10-12-15(13-11-14)24(21,22)20-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2-13H,1H3
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n/an/a 1.38E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X4 receptor expressed in 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx compound preincub...


J Med Chem 55: 9576-88 (2012)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Mus musculus)
BDBM50399183
PNG
(CHEMBL2180160)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C19H15NO3S/c1-14-10-12-15(13-11-14)24(21,22)20-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2-13H,1H3
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n/an/a 1.76E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2X4 receptor by cell-based calcium influx assay


J Med Chem 55: 9576-88 (2012)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Mus musculus)
BDBM50399165
PNG
(CHEMBL2180137)
Show SMILES O=C(OCc1ccccc1)N1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C20H15NO3/c22-20(23-14-15-8-2-1-3-9-15)21-16-10-4-6-12-18(16)24-19-13-7-5-11-17(19)21/h1-13H,14H2
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n/an/a 1.77E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2X4 receptor by cell-based calcium influx assay


J Med Chem 55: 9576-88 (2012)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(HUMAN)
BDBM50399175
PNG
(CHEMBL2180171)
Show SMILES O=C(NCCc1ccccc1)N1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C21H18N2O2/c24-21(22-15-14-16-8-2-1-3-9-16)23-17-10-4-6-12-19(17)25-20-13-7-5-11-18(20)23/h1-13H,14-15H2,(H,22,24)
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n/an/a 1.78E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X4 receptor expressed in 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx compound preincub...


J Med Chem 55: 9576-88 (2012)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(HUMAN)
BDBM22416
PNG
((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
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n/an/a 1.87E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X4 receptor expressed in 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx compound preincub...


J Med Chem 55: 9576-88 (2012)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(RAT)
BDBM50399165
PNG
(CHEMBL2180137)
Show SMILES O=C(OCc1ccccc1)N1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C20H15NO3/c22-20(23-14-15-8-2-1-3-9-15)21-16-10-4-6-12-18(16)24-19-13-7-5-11-17(19)21/h1-13H,14H2
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X4 receptor by cell-based calcium influx assay


J Med Chem 55: 9576-88 (2012)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(HUMAN)
BDBM50399164
PNG
(CHEMBL2180138)
Show SMILES Cc1ccc(COC(=O)N2c3ccccc3Oc3ccccc23)cc1
Show InChI InChI=1S/C21H17NO3/c1-15-10-12-16(13-11-15)14-24-21(23)22-17-6-2-4-8-19(17)25-20-9-5-3-7-18(20)22/h2-13H,14H2,1H3
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n/an/a 2.28E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X4 receptor expressed in 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx compound preincub...


J Med Chem 55: 9576-88 (2012)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(HUMAN)
BDBM50399166
PNG
(CHEMBL2180136)
Show SMILES CC(C)OC(=O)N1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C16H15NO3/c1-11(2)19-16(18)17-12-7-3-5-9-14(12)20-15-10-6-4-8-13(15)17/h3-11H,1-2H3
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n/an/a 2.35E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X4 receptor expressed in 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx compound preincub...


J Med Chem 55: 9576-88 (2012)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(HUMAN)
BDBM50399190
PNG
(CHEMBL2180149)
Show SMILES OC1(c2ccccc2)c2ccccc2N(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C26H21NO/c28-26(21-13-5-2-6-14-21)22-15-7-9-17-24(22)27(19-20-11-3-1-4-12-20)25-18-10-8-16-23(25)26/h1-18,28H,19H2
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n/an/a 2.44E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X4 receptor expressed in 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx compound preincub...


J Med Chem 55: 9576-88 (2012)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(RAT)
BDBM22416
PNG
((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
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n/an/a 2.45E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X4 receptor by cell-based calcium influx assay


J Med Chem 55: 9576-88 (2012)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(HUMAN)
BDBM50399200
PNG
(CHEMBL2180148)
Show SMILES [O-][N+](=O)c1ccc(Cn2c3ccccc3c(=O)c3ccccc23)cc1
Show InChI InChI=1S/C20H14N2O3/c23-20-16-5-1-3-7-18(16)21(19-8-4-2-6-17(19)20)13-14-9-11-15(12-10-14)22(24)25/h1-12H,13H2
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n/an/a 2.49E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X4 receptor expressed in 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx compound preincub...


J Med Chem 55: 9576-88 (2012)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(RAT)
BDBM85043
PNG
(CAS_149017-66-3 | CHEMBL69234 | NSC_6093163 | PPAD...)
Show SMILES Cc1nc(N=Nc2ccc(cc2S(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)17-16-11-3-2-8(31(23,24)25)4-12(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 2.60E+3n/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 rat P2X4 receptor (mutant type)


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 4


(HUMAN)
BDBM50399161
PNG
(CHEMBL2180141)
Show SMILES COc1ccc(COC(=O)N2c3ccccc3Oc3ccccc23)cc1
Show InChI InChI=1S/C21H17NO4/c1-24-16-12-10-15(11-13-16)14-25-21(23)22-17-6-2-4-8-19(17)26-20-9-5-3-7-18(20)22/h2-13H,14H2,1H3
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n/an/a 2.64E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X4 receptor expressed in 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx compound preincub...


J Med Chem 55: 9576-88 (2012)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Mus musculus)
BDBM50399190
PNG
(CHEMBL2180149)
Show SMILES OC1(c2ccccc2)c2ccccc2N(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C26H21NO/c28-26(21-13-5-2-6-14-21)22-15-7-9-17-24(22)27(19-20-11-3-1-4-12-20)25-18-10-8-16-23(25)26/h1-18,28H,19H2
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n/an/a 2.66E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2X4 receptor by cell-based calcium influx assay


J Med Chem 55: 9576-88 (2012)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(HUMAN)
BDBM50399172
PNG
(CHEMBL2180174)
Show SMILES CCCN(CCC)C(=O)N1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C19H22N2O2/c1-3-13-20(14-4-2)19(22)21-15-9-5-7-11-17(15)23-18-12-8-6-10-16(18)21/h5-12H,3-4,13-14H2,1-2H3
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n/an/a 2.69E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X4 receptor expressed in 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx compound preincub...


J Med Chem 55: 9576-88 (2012)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Mus musculus)
BDBM50399172
PNG
(CHEMBL2180174)
Show SMILES CCCN(CCC)C(=O)N1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C19H22N2O2/c1-3-13-20(14-4-2)19(22)21-15-9-5-7-11-17(15)23-18-12-8-6-10-16(18)21/h5-12H,3-4,13-14H2,1-2H3
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n/an/a 2.71E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2X4 receptor by cell-based calcium influx assay


J Med Chem 55: 9576-88 (2012)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Mus musculus)
BDBM50399164
PNG
(CHEMBL2180138)
Show SMILES Cc1ccc(COC(=O)N2c3ccccc3Oc3ccccc23)cc1
Show InChI InChI=1S/C21H17NO3/c1-15-10-12-16(13-11-15)14-24-21(23)22-17-6-2-4-8-19(17)25-20-9-5-3-7-18(20)22/h2-13H,14H2,1H3
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n/an/a 2.81E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2X4 receptor by cell-based calcium influx assay


J Med Chem 55: 9576-88 (2012)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(HUMAN)
BDBM50399197
PNG
(CHEMBL2180151)
Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1ccccc1O
Show InChI InChI=1S/C18H27NO3/c1-12(2)14-9-8-13(3)10-17(14)22-11-18(21)19-15-6-4-5-7-16(15)20/h4-7,12-14,17,20H,8-11H2,1-3H3,(H,19,21)/t13-,14+,17-/m1/s1
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n/an/a 3.39E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X4 receptor expressed in 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx compound preincub...


J Med Chem 55: 9576-88 (2012)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(HUMAN)
BDBM50446060
PNG
(CHEMBL3103385)
Show SMILES CC(C)N(C(C)C)C(=O)N1c2ccccc2C=Cc2ccccc12
Show InChI InChI=1S/C21H24N2O/c1-15(2)22(16(3)4)21(24)23-19-11-7-5-9-17(19)13-14-18-10-6-8-12-20(18)23/h5-16H,1-4H3
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n/an/a 3.44E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X4 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx preincubate...


Bioorg Med Chem 22: 1077-88 (2014)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(HUMAN)
BDBM50399160
PNG
(CHEMBL2180142)
Show SMILES O=C(OCCc1ccccc1)N1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C21H17NO3/c23-21(24-15-14-16-8-2-1-3-9-16)22-17-10-4-6-12-19(17)25-20-13-7-5-11-18(20)22/h1-13H,14-15H2
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n/an/a 3.93E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X4 receptor expressed in 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx compound preincub...


J Med Chem 55: 9576-88 (2012)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(RAT)
BDBM50399190
PNG
(CHEMBL2180149)
Show SMILES OC1(c2ccccc2)c2ccccc2N(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C26H21NO/c28-26(21-13-5-2-6-14-21)22-15-7-9-17-24(22)27(19-20-11-3-1-4-12-20)25-18-10-8-16-23(25)26/h1-18,28H,19H2
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n/an/a 4.04E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X4 receptor by cell-based calcium influx assay


J Med Chem 55: 9576-88 (2012)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(HUMAN)
BDBM50399188
PNG
(CHEMBL2180183)
Show SMILES O=C(N1c2ccccc2Oc2ccccc12)c1ccccc1
Show InChI InChI=1S/C19H13NO2/c21-19(14-8-2-1-3-9-14)20-15-10-4-6-12-17(15)22-18-13-7-5-11-16(18)20/h1-13H
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n/an/a 4.11E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X4 receptor expressed in 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx compound preincub...


J Med Chem 55: 9576-88 (2012)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(HUMAN)
BDBM50399187
PNG
(CHEMBL2180184)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)N1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C19H12N2O4/c22-19(13-9-11-14(12-10-13)21(23)24)20-15-5-1-3-7-17(15)25-18-8-4-2-6-16(18)20/h1-12H
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n/an/a 4.29E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X4 receptor expressed in 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx compound preincub...


J Med Chem 55: 9576-88 (2012)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(HUMAN)
BDBM22416
PNG
((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
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n/an/a 4.68E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X4 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx preincubate...


Bioorg Med Chem 22: 1077-88 (2014)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(RAT)
BDBM50370141
PNG
(TNP-ATP)
Show SMILES Nc1ncnc2n(cnc12)C1OC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C2OC3(OC12)C(=C[C-](C=C3[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C16H16N8O19P3/c17-13-10-14(19-4-18-13)21(5-20-10)15-12-11(7(39-15)3-38-45(34,35)43-46(36,37)42-44(31,32)33)40-16(41-12)8(23(27)28)1-6(22(25)26)2-9(16)24(29)30/h1-2,4-5,7,11-12,15H,3H2,(H,34,35)(H,36,37)(H2,17,18,19)(H2,31,32,33)/q-1
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n/an/a 4.71E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X4 receptor by cell-based calcium influx assay


J Med Chem 55: 9576-88 (2012)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(HUMAN)
BDBM50399186
PNG
(CHEMBL2180185)
Show SMILES Clc1ccc(cc1)C(=O)N1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C19H12ClNO2/c20-14-11-9-13(10-12-14)19(22)21-15-5-1-3-7-17(15)23-18-8-4-2-6-16(18)21/h1-12H
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n/an/a 5.29E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X4 receptor expressed in 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx compound preincub...


J Med Chem 55: 9576-88 (2012)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(HUMAN)
BDBM50399203
PNG
(CHEMBL451082)
Show SMILES O=c1c2ccccc2n(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C20H15NO/c22-20-16-10-4-6-12-18(16)21(14-15-8-2-1-3-9-15)19-13-7-5-11-17(19)20/h1-13H,14H2
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n/an/a 5.97E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X4 receptor expressed in 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx compound preincub...


J Med Chem 55: 9576-88 (2012)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(HUMAN)
BDBM50446077
PNG
(CHEMBL3103401)
Show SMILES O=C(OCc1ccccc1)N1c2ccccc2C=Cc2ccccc12
Show InChI InChI=1S/C22H17NO2/c24-22(25-16-17-8-2-1-3-9-17)23-20-12-6-4-10-18(20)14-15-19-11-5-7-13-21(19)23/h1-15H,16H2
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n/an/a 6.02E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X4 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx preincubate...


Bioorg Med Chem 22: 1077-88 (2014)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(RAT)
BDBM50399166
PNG
(CHEMBL2180136)
Show SMILES CC(C)OC(=O)N1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C16H15NO3/c1-11(2)19-16(18)17-12-7-3-5-9-14(12)20-15-10-6-4-8-13(15)17/h3-11H,1-2H3
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n/an/a 6.08E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X4 receptor by cell-based calcium influx assay


J Med Chem 55: 9576-88 (2012)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(HUMAN)
BDBM50446068
PNG
(CHEMBL3103375)
Show SMILES CCCN(CCC)C(=O)N1c2ccccc2C=Cc2ccccc12
Show InChI InChI=1S/C21H24N2O/c1-3-15-22(16-4-2)21(24)23-19-11-7-5-9-17(19)13-14-18-10-6-8-12-20(18)23/h5-14H,3-4,15-16H2,1-2H3
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n/an/a 7.78E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X4 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx preincubate...


Bioorg Med Chem 22: 1077-88 (2014)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(HUMAN)
BDBM50399177
PNG
(CHEMBL2180169)
Show SMILES Clc1ccc(CNC(=O)N2c3ccccc3Oc3ccccc23)cc1
Show InChI InChI=1S/C20H15ClN2O2/c21-15-11-9-14(10-12-15)13-22-20(24)23-16-5-1-3-7-18(16)25-19-8-4-2-6-17(19)23/h1-12H,13H2,(H,22,24)
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n/an/a 9.54E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X4 receptor expressed in 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx compound preincub...


J Med Chem 55: 9576-88 (2012)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(RAT)
BDBM50118234
PNG
(CHEMBL129904 | MRS 2160)
Show SMILES Cc1nc(N=Nc2ccc(C(O)=O)c(Cl)c2)c(COP(O)(O)=O)c(C=O)c1O
Show InChI InChI=1S/C15H13ClN3O8P/c1-7-13(21)10(5-20)11(6-27-28(24,25)26)14(17-7)19-18-8-2-3-9(15(22)23)12(16)4-8/h2-5,21H,6H2,1H3,(H,22,23)(H2,24,25,26)
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n/an/a 9.60E+3n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
The compound was evaluated for antagonist activity against P2X purinoceptor 1 (P2X1) receptor from rat vas deferens


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 4


(HUMAN)
BDBM50257829
PNG
(2-(4-amino-5-(5-iodo-2-isopropyl-4-methoxyphenoxy)...)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NC(CO)CO)nc2N)cc1I
Show InChI InChI=1S/C17H23IN4O4/c1-9(2)11-4-14(25-3)12(18)5-13(11)26-15-6-20-17(22-16(15)19)21-10(7-23)8-24/h4-6,9-10,23-24H,7-8H2,1-3H3,(H3,19,20,21,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at P2X4 receptor up to 10 uM


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

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)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


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



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity against rat P2X4 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
P2X purinoceptor 4


(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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University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity against rat P2X4 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
P2X purinoceptor 4


(RAT)
BDBM50118218
PNG
(CHEMBL131271 | Disodium 1-amino-4-[4-(4,6-dichloro...)
Show SMILES Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Cl)n3)c(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)28-12-6-5-9(7-14(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>1.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity against rat P2X4 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
P2X purinoceptor 4


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



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity against rat P2X4 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
P2X purinoceptor 4


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



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity against rat P2X4 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
P2X purinoceptor 4


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



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity against rat P2X4 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
P2X purinoceptor 4


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



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity against rat P2X4 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
P2X purinoceptor 4


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



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity against rat P2X4 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
P2X purinoceptor 4


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



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity against rat P2X4 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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