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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 = 'BDBM50421612'   
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))		BDBM50421612
PNG
(CHEMBL128514)
Show SMILES CNC(=O)c1ccc(CCC(COc2ccc(cc2)-c2cccc(c2)[N+]([O-])=O)n2c(O)csc2=O)cc1
Show InChI InChI=1S/C27H25N3O6S/c1-28-26(32)20-8-5-18(6-9-20)7-12-23(29-25(31)17-37-27(29)33)16-36-24-13-10-19(11-14-24)21-3-2-4-22(15-21)30(34)35/h2-6,8-11,13-15,17,23,31H,7,12,16H2,1H3,(H,28,32)
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PC cid
PC sid
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Similars
PubMed
n/an/a 158n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro antagonism of P2X 7 receptor in THP-1 (human pre-monocytic) cells.

Bioorg Med Chem Lett 13: 4043-6 (2003)


BindingDB Entry DOI: 10.7270/Q2930VCQ
More data for this
Ligand-Target Pair