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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 4' and Ligand = 'BDBM50506160'   
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


(Homo sapiens (Human))
BDBM50506160
PNG
(CHEMBL4513970)
Show SMILES Cc1c(-c2cccc(c2)-c2nnn[nH]2)c2[nH]c3ccccc3c2[nH]c1=O
Show InChI InChI=1S/C19H14N6O/c1-10-15(11-5-4-6-12(9-11)18-22-24-25-23-18)17-16(21-19(10)26)13-7-2-3-8-14(13)20-17/h2-9,20H,1H3,(H,21,26)(H,22,23,24,25)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<100n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X4 receptor expressed in HEK cells assessed as reduction in ATP induced calcium influx


J Med Chem 62: 11194-11217 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01304
BindingDB Entry DOI: 10.7270/Q2M048RW
More data for this
Ligand-Target Pair