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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 = 'BDBM50344920'   
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))
BDBM50344920
PNG
((R)-1-(3,4-difluorobenzyl)-5-ethyl-7-isopropyl-2-(...)
Show SMILES CCN1C2=N[C@@H](CN2c2c(nc(-c3ccc(OC(F)(F)F)cc3)n2Cc2ccc(F)c(F)c2)C1=O)C(C)C |r,t:3|
Show InChI InChI=1S/C26H24F5N5O2/c1-4-34-24(37)21-23(36-13-20(14(2)3)32-25(34)36)35(12-15-5-10-18(27)19(28)11-15)22(33-21)16-6-8-17(9-7-16)38-26(29,30)31/h5-11,14,20H,4,12-13H2,1-3H3/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 25n/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