BindingDB logo
myBDB logout

PubMed code 24246730

Compile data set for download or QSAR
Found 34 hits of Enzyme Inhibition Constant Data   
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 1


(Mus musculus)		BDBM50102295
PNG
(4-(4-Formyl-5-hydroxy-6-methyl-3-phosphonooxymethy...)
Show SMILES Cc1nc(N=Nc2ccc(cc2)C(O)=O)c(COP(O)(O)=O)c(C=O)c1O |w:5.5|
Show InChI InChI=1S/C15H14N3O8P/c1-8-13(20)11(6-19)12(7-26-27(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)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant mouse P2X1 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated fo...

Eur J Med Chem 70: 811-30 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM86478
PNG
(A-317491)
Show SMILES OC(=O)c1cc(C(O)=O)c(cc1C(O)=O)C(=O)N(Cc1cccc(Oc2ccccc2)c1)[C@H]1CCCc2ccccc12
Show InChI InChI=1S/C33H27NO8/c35-30(25-17-27(32(38)39)28(33(40)41)18-26(25)31(36)37)34(29-15-7-10-21-9-4-5-14-24(21)29)19-20-8-6-13-23(16-20)42-22-11-2-1-3-12-22/h1-6,8-9,11-14,16-18,29H,7,10,15,19H2,(H,36,37)(H,38,39)(H,40,41)/t29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated fo...

Eur J Med Chem 70: 811-30 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
P2X purinoceptor 1


(RAT)		BDBM50102295
PNG
(4-(4-Formyl-5-hydroxy-6-methyl-3-phosphonooxymethy...)
Show SMILES Cc1nc(N=Nc2ccc(cc2)C(O)=O)c(COP(O)(O)=O)c(C=O)c1O |w:5.5|
Show InChI InChI=1S/C15H14N3O8P/c1-8-13(20)11(6-19)12(7-26-27(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)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars
Article
PubMed
n/an/a 43n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat P2X1 receptor expressed in Xenopus oocytes assessed as ion flux stimulation

Eur J Med Chem 70: 811-30 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM50444434
PNG
(CHEMBL3091630)
Show SMILES Cc1nc(Cc2cccc(Oc3ccccc3)c2)c(\C=C\C(O)=O)c(C=O)c1O
Show InChI InChI=1S/C23H19NO5/c1-15-23(28)20(14-25)19(10-11-22(26)27)21(24-15)13-16-6-5-9-18(12-16)29-17-7-3-2-4-8-17/h2-12,14,28H,13H2,1H3,(H,26,27)/b11-10+
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated fo...

Eur J Med Chem 70: 811-30 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM86478
PNG
(A-317491)
Show SMILES OC(=O)c1cc(C(O)=O)c(cc1C(O)=O)C(=O)N(Cc1cccc(Oc2ccccc2)c1)[C@H]1CCCc2ccccc12
Show InChI InChI=1S/C33H27NO8/c35-30(25-17-27(32(38)39)28(33(40)41)18-26(25)31(36)37)34(29-15-7-10-21-9-4-5-14-24(21)29)19-20-8-6-13-23(16-20)42-22-11-2-1-3-12-22/h1-6,8-9,11-14,16-18,29H,7,10,15,19H2,(H,36,37)(H,38,39)(H,40,41)/t29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
Article
PubMed
n/an/a 97n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X3 receptor transfected in human 1321N1 cells assessed as inhibition of alpha, beta me-ATP-induced current...

Eur J Med Chem 70: 811-30 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
P2X purinoceptor 1


(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 |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)17-16-11-3-2-8(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)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars
Article
PubMed
n/an/a 99n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2X1 receptor

Eur J Med Chem 70: 811-30 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM50444431
PNG
(CHEMBL3091628)
Show SMILES Cc1nc(Cc2cccc3ccccc23)c(\C=C\C(O)=O)c(C=O)c1O
Show InChI InChI=1S/C21H17NO4/c1-13-21(26)18(12-23)17(9-10-20(24)25)19(22-13)11-15-7-4-6-14-5-2-3-8-16(14)15/h2-10,12,26H,11H2,1H3,(H,24,25)/b10-9+
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 145n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated fo...

Eur J Med Chem 70: 811-30 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50087267
PNG
((1-(N,O-bis(1,5-isoquinolinesulfonyl)-N-methyl-L-t...)
Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccccc1)S(=O)(=O)c1cccc2cnccc12 |r|
Show InChI InChI=1S/C38H35N5O6S2/c1-41(50(45,46)36-11-5-7-29-26-39-19-17-33(29)36)35(38(44)43-23-21-42(22-24-43)31-9-3-2-4-10-31)25-28-13-15-32(16-14-28)49-51(47,48)37-12-6-8-30-27-40-20-18-34(30)37/h2-20,26-27,35H,21-25H2,1H3/t35-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 158n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced accumulation of ethidium+ after 120 mins...

Eur J Med Chem 70: 811-30 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50087267
PNG
((1-(N,O-bis(1,5-isoquinolinesulfonyl)-N-methyl-L-t...)
Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccccc1)S(=O)(=O)c1cccc2cnccc12 |r|
Show InChI InChI=1S/C38H35N5O6S2/c1-41(50(45,46)36-11-5-7-29-26-39-19-17-33(29)36)35(38(44)43-23-21-42(22-24-43)31-9-3-2-4-10-31)25-28-13-15-32(16-14-28)49-51(47,48)37-12-6-8-30-27-40-20-18-34(30)37/h2-20,26-27,35H,21-25H2,1H3/t35-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 210n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X7 receptor assessed as inhibition of BzATP-mediated Yo-Pro uptake measured for 1 hr by FLIPR assay

Eur J Med Chem 70: 811-30 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		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 |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)17-16-11-3-2-8(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

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars
Article
PubMed
n/an/a 240n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X3 receptor

Eur J Med Chem 70: 811-30 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH
More data for this
Ligand-Target Pair
P2X purinoceptor 1


(Mus musculus)		BDBM50444432
PNG
(CHEMBL3091610)
Show SMILES Cc1nc(CCc2ccc(cc2)C(O)=O)c(C(O)=O)c(C(O)=O)c1O
Show InChI InChI=1S/C17H15NO7/c1-8-14(19)13(17(24)25)12(16(22)23)11(18-8)7-4-9-2-5-10(6-3-9)15(20)21/h2-3,5-6,19H,4,7H2,1H3,(H,20,21)(H,22,23)(H,24,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 267n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant mouse P2X1 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated fo...

Eur J Med Chem 70: 811-30 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM50444427
PNG
(CHEMBL3091631)
Show SMILES Cc1nc(Cc2cccc(Oc3ccccc3)c2)c(CCC(O)=O)c(C=O)c1O
Show InChI InChI=1S/C23H21NO5/c1-15-23(28)20(14-25)19(10-11-22(26)27)21(24-15)13-16-6-5-9-18(12-16)29-17-7-3-2-4-8-17/h2-9,12,14,28H,10-11,13H2,1H3,(H,26,27)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 366n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated fo...

Eur J Med Chem 70: 811-30 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM50444433
PNG
(CHEMBL3091632)
Show SMILES Cc1nc(Cc2cccc(Oc3ccccc3)c2)c(\C=C\C(O)=O)c(C(O)=O)c1O
Show InChI InChI=1S/C23H19NO6/c1-14-22(27)21(23(28)29)18(10-11-20(25)26)19(24-14)13-15-6-5-9-17(12-15)30-16-7-3-2-4-8-16/h2-12,27H,13H2,1H3,(H,25,26)(H,28,29)/b11-10+
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 377n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated fo...

Eur J Med Chem 70: 811-30 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH
More data for this
Ligand-Target Pair
P2X purinoceptor 1


(Mus musculus)		BDBM50444425
PNG
(CHEMBL3091607)
Show SMILES COc1ccc(CCc2nc(C)c(O)c(C(O)=O)c2C(O)=O)cc1
Show InChI InChI=1S/C17H17NO6/c1-9-15(19)14(17(22)23)13(16(20)21)12(18-9)8-5-10-3-6-11(24-2)7-4-10/h3-4,6-7,19H,5,8H2,1-2H3,(H,20,21)(H,22,23)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 446n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant mouse P2X1 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated fo...

Eur J Med Chem 70: 811-30 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM50444432
PNG
(CHEMBL3091610)
Show SMILES Cc1nc(CCc2ccc(cc2)C(O)=O)c(C(O)=O)c(C(O)=O)c1O
Show InChI InChI=1S/C17H15NO7/c1-8-14(19)13(17(24)25)12(16(22)23)11(18-8)7-4-9-2-5-10(6-3-9)15(20)21/h2-3,5-6,19H,4,7H2,1H3,(H,20,21)(H,22,23)(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 458n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated fo...

Eur J Med Chem 70: 811-30 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM50444425
PNG
(CHEMBL3091607)
Show SMILES COc1ccc(CCc2nc(C)c(O)c(C(O)=O)c2C(O)=O)cc1
Show InChI InChI=1S/C17H17NO6/c1-9-15(19)14(17(22)23)13(16(20)21)12(18-9)8-5-10-3-6-11(24-2)7-4-10/h3-4,6-7,19H,5,8H2,1-2H3,(H,20,21)(H,22,23)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 460n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated fo...

Eur J Med Chem 70: 811-30 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM50444435
PNG
(CHEMBL3091619)
Show SMILES Cc1nc(Cc2cccc(Oc3ccccc3)c2)c(C(O)=O)c(C(O)=O)c1O
Show InChI InChI=1S/C21H17NO6/c1-12-19(23)18(21(26)27)17(20(24)25)16(22-12)11-13-6-5-9-15(10-13)28-14-7-3-2-4-8-14/h2-10,23H,11H2,1H3,(H,24,25)(H,26,27)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 474n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated fo...

Eur J Med Chem 70: 811-30 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM50444429
PNG
(CHEMBL3091620)
Show SMILES Cc1nc(CCc2cccc(Oc3ccccc3)c2)c(C(O)=O)c(C(O)=O)c1O
Show InChI InChI=1S/C22H19NO6/c1-13-20(24)19(22(27)28)18(21(25)26)17(23-13)11-10-14-6-5-9-16(12-14)29-15-7-3-2-4-8-15/h2-9,12,24H,10-11H2,1H3,(H,25,26)(H,27,28)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 587n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated fo...

Eur J Med Chem 70: 811-30 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM50444421
PNG
(CHEMBL3091629)
Show SMILES Cc1nc(Cc2cccc3ccccc23)c(CCC(O)=O)c(C=O)c1O
Show InChI InChI=1S/C21H19NO4/c1-13-21(26)18(12-23)17(9-10-20(24)25)19(22-13)11-15-7-4-6-14-5-2-3-8-16(14)15/h2-8,12,26H,9-11H2,1H3,(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 636n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated fo...

Eur J Med Chem 70: 811-30 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM50444424
PNG
(CHEMBL3091633)
Show SMILES Cc1nc(Cc2cccc(Oc3ccccc3)c2)c(CCC(O)=O)c(C(O)=O)c1O
Show InChI InChI=1S/C23H21NO6/c1-14-22(27)21(23(28)29)18(10-11-20(25)26)19(24-14)13-15-6-5-9-17(12-15)30-16-7-3-2-4-8-16/h2-9,12,27H,10-11,13H2,1H3,(H,25,26)(H,28,29)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 638n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated fo...

Eur J Med Chem 70: 811-30 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH
More data for this
Ligand-Target Pair
P2X purinoceptor 1


(Mus musculus)		BDBM50444420
PNG
(CHEMBL3091605)
Show SMILES Cc1nc(CCc2ccccc2)c(C(O)=O)c(C(O)=O)c1O
Show InChI InChI=1S/C16H15NO5/c1-9-14(18)13(16(21)22)12(15(19)20)11(17-9)8-7-10-5-3-2-4-6-10/h2-6,18H,7-8H2,1H3,(H,19,20)(H,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 645n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant mouse P2X1 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated fo...

Eur J Med Chem 70: 811-30 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM50444428
PNG
(CHEMBL3091635)
Show SMILES Cc1nc(Cc2cccc(Oc3ccccc3)c2)c2C(=O)OC(O)c2c1O
Show InChI InChI=1S/C21H17NO5/c1-12-19(23)18-17(20(24)27-21(18)25)16(22-12)11-13-6-5-9-15(10-13)26-14-7-3-2-4-8-14/h2-10,21,23,25H,11H2,1H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 652n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated fo...

Eur J Med Chem 70: 811-30 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM50444419
PNG
(CHEMBL3091625)
Show SMILES Cc1nc(NC(=O)c2ccccc2)c(C(O)=O)c(C(O)=O)c1O
Show InChI InChI=1S/C15H12N2O6/c1-7-11(18)9(14(20)21)10(15(22)23)12(16-7)17-13(19)8-5-3-2-4-6-8/h2-6,18H,1H3,(H,20,21)(H,22,23)(H,16,17,19)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 723n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated fo...

Eur J Med Chem 70: 811-30 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH
More data for this
Ligand-Target Pair
P2X purinoceptor 1


(Mus musculus)		BDBM50444418
PNG
(CHEMBL3091606)
Show SMILES Cc1nc(\C=C\c2ccccc2)c(C(O)=O)c(C(O)=O)c1O
Show InChI InChI=1S/C16H13NO5/c1-9-14(18)13(16(21)22)12(15(19)20)11(17-9)8-7-10-5-3-2-4-6-10/h2-8,18H,1H3,(H,19,20)(H,21,22)/b8-7+
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 768n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant mouse P2X1 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated fo...

Eur J Med Chem 70: 811-30 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM50444420
PNG
(CHEMBL3091605)
Show SMILES Cc1nc(CCc2ccccc2)c(C(O)=O)c(C(O)=O)c1O
Show InChI InChI=1S/C16H15NO5/c1-9-14(18)13(16(21)22)12(15(19)20)11(17-9)8-7-10-5-3-2-4-6-10/h2-6,18H,7-8H2,1H3,(H,19,20)(H,21,22)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 797n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated fo...

Eur J Med Chem 70: 811-30 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM50444426
PNG
(CHEMBL3091618)
Show SMILES Cc1nc(CC(c2ccccc2)c2ccccc2)c(C(O)=O)c(C(O)=O)c1O
Show InChI InChI=1S/C22H19NO5/c1-13-20(24)19(22(27)28)18(21(25)26)17(23-13)12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16,24H,12H2,1H3,(H,25,26)(H,27,28)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 824n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated fo...

Eur J Med Chem 70: 811-30 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM50444423
PNG
(CHEMBL3091634)
Show SMILES Cc1nc(Cc2cccc3ccccc23)c2C(=O)OC(O)c2c1O
Show InChI InChI=1S/C19H15NO4/c1-10-17(21)16-15(18(22)24-19(16)23)14(20-10)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,19,21,23H,9H2,1H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 856n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated fo...

Eur J Med Chem 70: 811-30 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM50444418
PNG
(CHEMBL3091606)
Show SMILES Cc1nc(\C=C\c2ccccc2)c(C(O)=O)c(C(O)=O)c1O
Show InChI InChI=1S/C16H13NO5/c1-9-14(18)13(16(21)22)12(15(19)20)11(17-9)8-7-10-5-3-2-4-6-10/h2-8,18H,1H3,(H,19,20)(H,21,22)/b8-7+
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 920n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated fo...

Eur J Med Chem 70: 811-30 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM50444422
PNG
(CHEMBL3091627)
Show SMILES Cc1nc(NC(=O)c2cccc(Oc3ccccc3)c2)c(C(O)=O)c(C(O)=O)c1O
Show InChI InChI=1S/C21H16N2O7/c1-11-17(24)15(20(26)27)16(21(28)29)18(22-11)23-19(25)12-6-5-9-14(10-12)30-13-7-3-2-4-8-13/h2-10,24H,1H3,(H,26,27)(H,28,29)(H,22,23,25)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 928n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated fo...

Eur J Med Chem 70: 811-30 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM50444417
PNG
(CHEMBL3091622)
Show SMILES Cc1nc(Cc2ccc(Oc3ccccc3)cc2)c(C(O)=O)c(C(O)=O)c1O
Show InChI InChI=1S/C21H17NO6/c1-12-19(23)18(21(26)27)17(20(24)25)16(22-12)11-13-7-9-15(10-8-13)28-14-5-3-2-4-6-14/h2-10,23H,11H2,1H3,(H,24,25)(H,26,27)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.05E+3n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated fo...

Eur J Med Chem 70: 811-30 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		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 |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)17-16-11-3-2-8(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

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars
PDB
Article
PubMed
n/an/a 1.18E+3n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X7 receptor assessed as inhibition of BzATP-mediated Yo-Pro uptake measured for 1 hr by FLIPR assay

Eur J Med Chem 70: 811-30 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM50444430
PNG
(CHEMBL3091617)
Show SMILES Cc1nc(Cc2cccc3ccccc23)c(C(O)=O)c(C(O)=O)c1O
Show InChI InChI=1S/C19H15NO5/c1-10-17(21)16(19(24)25)15(18(22)23)14(20-10)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,21H,9H2,1H3,(H,22,23)(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.25E+3n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated fo...

Eur J Med Chem 70: 811-30 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM50444416
PNG
(CHEMBL3091623)
Show SMILES Cc1nc(Cc2ccccc2Oc2ccccc2)c(C(O)=O)c(C(O)=O)c1O
Show InChI InChI=1S/C21H17NO6/c1-12-19(23)18(21(26)27)17(20(24)25)15(22-12)11-13-7-5-6-10-16(13)28-14-8-3-2-4-9-14/h2-10,23H,11H2,1H3,(H,24,25)(H,26,27)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.93E+3n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated fo...

Eur J Med Chem 70: 811-30 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))		BDBM50444415
PNG
(CHEMBL3091621)
Show SMILES Cc1nc(-c2cccc(Oc3ccccc3)c2)c(C(O)=O)c(C(O)=O)c1O
Show InChI InChI=1S/C20H15NO6/c1-11-18(22)16(20(25)26)15(19(23)24)17(21-11)12-6-5-9-14(10-12)27-13-7-3-2-4-8-13/h2-10,22H,1H3,(H,23,24)(H,25,26)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated fo...

Eur J Med Chem 70: 811-30 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.026
BindingDB Entry DOI: 10.7270/Q2M61MQH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%