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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 = 'BDBM50230060'   
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))		BDBM50230060
PNG
(4-((S)-2-(benzyloxycarbonyl)-3-((S)-4-(4-(dimethyl...)
Show SMILES C[C@H]1CN(CCN1C(=O)c1ccc(cc1)N(C)C)C(=O)[C@H](Cc1ccc(OS(=O)(=O)c2ccc(cc2)C#N)cc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C38H39N5O7S/c1-27-25-42(21-22-43(27)36(44)31-13-15-32(16-14-31)41(2)3)37(45)35(40-38(46)49-26-30-7-5-4-6-8-30)23-28-9-17-33(18-10-28)50-51(47,48)34-19-11-29(24-39)12-20-34/h4-20,27,35H,21-23,25-26H2,1-3H3,(H,40,46)/t27-,35-/m0/s1
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Article
PubMed
n/an/a 539n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human purinergic P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced ethidium bromide uptake

Bioorg Med Chem Lett 18: 571-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.077
BindingDB Entry DOI: 10.7270/Q2M61K0P
More data for this
Ligand-Target Pair