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Compile Data Set for Download or QSAR

Found 226 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 4'   
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
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


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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


Citation and Details
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...


Citation and Details
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


Citation and Details
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...


Citation and Details
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


Citation and Details
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


Citation and Details
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...


Citation and Details
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...


Citation and Details
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


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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


Citation and Details
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...


Citation and Details
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)


J Med Chem 44: 340-9 (2001)

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...


Citation and Details
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


Citation and Details
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...


Citation and Details
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


Citation and Details
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


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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


Citation and Details
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...


Citation and Details
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...


Citation and Details
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


J Med Chem 45: 4057-93 (2002)

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


Citation and Details
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


Citation and Details
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...


Citation and Details
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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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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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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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...


Citation and Details
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...


Citation and Details
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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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...


Citation and Details
More data for this
Ligand-Target Pair
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