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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for assayid = 21 entry = 50042476   
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 3


(Homo sapiens (Human))
BDBM50426572
PNG
(CHEMBL2324342)
Show SMILES CC(C)N1Cc2c(nc(nc2N[C@H](C)c2cnc3ccccc3c2)N2CCN(CC2)C(C)=O)C1=O |r|
Show InChI InChI=1S/C26H31N7O2/c1-16(2)33-15-21-23(25(33)35)29-26(32-11-9-31(10-12-32)18(4)34)30-24(21)28-17(3)20-13-19-7-5-6-8-22(19)27-14-20/h5-8,13-14,16-17H,9-12,15H2,1-4H3,(H,28,29,30)/t17-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X3 expressed in rat liver endothelium cells assessed as inhibition of the intracellular calcium increase after 30 to 4...


J Med Chem 56: 593-624 (2013)


Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM50379716
PNG
(CHEMBL2011125)
Show SMILES CC(C)N1Cc2c(nc(nc2NCc2cnc3ccccc3c2)N2CCN(CC2)C(C)=O)C1=O
Show InChI InChI=1S/C25H29N7O2/c1-16(2)32-15-20-22(24(32)34)28-25(31-10-8-30(9-11-31)17(3)33)29-23(20)27-14-18-12-19-6-4-5-7-21(19)26-13-18/h4-7,12-13,16H,8-11,14-15H2,1-3H3,(H,27,28,29)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X3 expressed in rat liver endothelium cells assessed as inhibition of the intracellular calcium increase after 30 to 4...


J Med Chem 56: 593-624 (2013)


Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ
More data for this
Ligand-Target Pair