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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 = 'BDBM50318014'   
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))		BDBM50318014
PNG
(2-chloro-N-((1-hydroxycycloheptyl)methyl)-5-(5-met...)
Show SMILES Cc1cnc(nc1)-c1ccc(Cl)c(c1)C(=O)NCC1(O)CCCCCC1
Show InChI InChI=1S/C20H24ClN3O2/c1-14-11-22-18(23-12-14)15-6-7-17(21)16(10-15)19(25)24-13-20(26)8-4-2-3-5-9-20/h6-7,10-12,26H,2-5,8-9,13H2,1H3,(H,24,25)
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KEGG

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PC cid
PC sid
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Similars
Article
PubMed
n/an/a 8n/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