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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 = 'BDBM50344907'   
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))		BDBM50344907
PNG
((R)-1-(3,4-difluorobenzyl)-5-ethyl-7-isopropyl-2-(...)
Show SMILES CCN1C2=N[C@@H](CN2c2c(nc(-c3ccc(nc3)C(=O)N3CCCCC3)n2Cc2ccc(F)c(F)c2)C1=O)C(C)C |r,t:3|
Show InChI InChI=1S/C30H33F2N7O2/c1-4-37-29(41)25-27(39-17-24(18(2)3)34-30(37)39)38(16-19-8-10-21(31)22(32)14-19)26(35-25)20-9-11-23(33-15-20)28(40)36-12-6-5-7-13-36/h8-11,14-15,18,24H,4-7,12-13,16-17H2,1-3H3/t24-/m0/s1
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n/an/a 42n/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