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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 = 'BDBM50318016'   
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))		BDBM50318016
PNG
(2-chloro-5-(5-fluoropyrimidin-2-yl)-N-((1-hydroxyc...)
Show SMILES OC1(CNC(=O)c2cc(ccc2Cl)-c2ncc(F)cn2)CCCCC1
Show InChI InChI=1S/C18H19ClFN3O2/c19-15-5-4-12(16-21-9-13(20)10-22-16)8-14(15)17(24)23-11-18(25)6-2-1-3-7-18/h4-5,8-10,25H,1-3,6-7,11H2,(H,23,24)
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Similars
Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Pfizer St. Louis Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7R expressed in HEK293 cells assessed as inhibition of ATP-induced YO-PRO-1 uptake

Bioorg Med Chem Lett 20: 3107-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.094
BindingDB Entry DOI: 10.7270/Q2D50N4Q
More data for this
Ligand-Target Pair