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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 = 'BDBM50344933'   
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))
BDBM50344933
PNG
((R)-5-ethyl-2-(4-fluorophenyl)-7-isopropyl-1-(3,4,...)
Show SMILES CCN1C2=N[C@@H](CN2c2c(nc(-c3ccc(F)cc3)n2Cc2cc(F)c(F)c(F)c2)C1=O)C(C)C |r,t:3|
Show InChI InChI=1S/C25H23F4N5O/c1-4-32-24(35)21-23(34-12-19(13(2)3)30-25(32)34)33(11-14-9-17(27)20(29)18(28)10-14)22(31-21)15-5-7-16(26)8-6-15/h5-10,13,19H,4,11-12H2,1-3H3/t19-/m0/s1
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



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