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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM50344928'   
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 7


(Homo sapiens (Human))
BDBM50344928
PNG
((R)-7-cyclopropyl-1-(3,4-difluorobenzyl)-5-ethyl-2...)
Show SMILES CCN1C2=N[C@@H](CN2c2c(nc(-c3ccc(F)cc3)n2Cc2ccc(F)c(F)c2)C1=O)C1CC1 |r,t:3|
Show InChI InChI=1S/C25H22F3N5O/c1-2-31-24(34)21-23(33-13-20(15-4-5-15)29-25(31)33)32(12-14-3-10-18(27)19(28)11-14)22(30-21)16-6-8-17(26)9-7-16/h3,6-11,15,20H,2,4-5,12-13H2,1H3/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 52n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor by calcium flux assay


Bioorg Med Chem Lett 21: 3805-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.034
BindingDB Entry DOI: 10.7270/Q25B02SR
More data for this
Ligand-Target Pair