BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 4' AND taxid = 10090   
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


(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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
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


(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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
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


(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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
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


(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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
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


(Mus musculus)
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)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a>1.00E+4n/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)
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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a>1.00E+4n/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)
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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.49E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2X4 receptor assessed as inhibition of ATP-induced cytosolic calcium influx preincubated for 30 mins followed by ATP ad...


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


(Mus musculus)
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)
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 2.10E+4n/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 mouse P2X4 receptor (mutant type)


J Med Chem 44: 340-9 (2001)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Mus musculus)
BDBM50446072
PNG
(CHEMBL3103369)
Show SMILES O=C(NC1CCCCC1)N1c2ccccc2C=Cc2ccccc12
Show InChI InChI=1S/C21H22N2O/c24-21(22-18-10-2-1-3-11-18)23-19-12-6-4-8-16(19)14-15-17-9-5-7-13-20(17)23/h4-9,12-15,18H,1-3,10-11H2,(H,22,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 9.84E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2X4 receptor assessed as inhibition of ATP-induced cytosolic calcium influx preincubated for 30 mins followed by ATP ad...


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


(Mus musculus)
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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2X4 receptor assessed as inhibition of ATP-induced cytosolic calcium influx preincubated for 30 mins followed by ATP ad...


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


(Mus musculus)
BDBM50446076
PNG
(CHEMBL1483754)
Show SMILES CCN(CC)C(=O)N1c2ccccc2C=Cc2ccccc12
Show InChI InChI=1S/C19H20N2O/c1-3-20(4-2)19(22)21-17-11-7-5-9-15(17)13-14-16-10-6-8-12-18(16)21/h5-14H,3-4H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2X4 receptor assessed as inhibition of ATP-induced cytosolic calcium influx preincubated for 30 mins followed by ATP ad...


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


(Mus musculus)
BDBM50446070
PNG
(CHEMBL3103371)
Show SMILES O=C(N1CCCCC1)N1c2ccccc2C=Cc2ccccc12
Show InChI InChI=1S/C20H20N2O/c23-20(21-14-6-1-7-15-21)22-18-10-4-2-8-16(18)12-13-17-9-3-5-11-19(17)22/h2-5,8-13H,1,6-7,14-15H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.02E+5n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2X4 receptor assessed as inhibition of ATP-induced cytosolic calcium influx preincubated for 30 mins followed by ATP ad...


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


(Mus musculus)
BDBM50446069
PNG
(CHEMBL3103372)
Show SMILES O=C(N1CCCC1)N1c2ccccc2C=Cc2ccccc12
Show InChI InChI=1S/C19H18N2O/c22-19(20-13-5-6-14-20)21-17-9-3-1-7-15(17)11-12-16-8-2-4-10-18(16)21/h1-4,7-12H,5-6,13-14H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.23E+5n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2X4 receptor assessed as inhibition of ATP-induced cytosolic calcium influx preincubated for 30 mins followed by ATP ad...


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


(Mus musculus)
BDBM50118232
PNG
(2-MeSATP | ATP, 2-meS | CHEMBL336208)
Show SMILES CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C11H18N5O13P3S/c1-33-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(27-10)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 1.00E+4n/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)
BDBM50366480
PNG
(ADENOSINE TRIPHOSPHATE | ATP)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 1.00E+3n/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