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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 = 'BDBM50222404'   
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))		BDBM50222404
PNG
(CHEMBL129876)
Show SMILES COC(=O)NNC(CCc1ccncc1)COc1ccc(cc1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H24N4O5/c1-31-23(28)26-25-20(8-5-17-11-13-24-14-12-17)16-32-22-9-6-18(7-10-22)19-3-2-4-21(15-19)27(29)30/h2-4,6-7,9-15,20,25H,5,8,16H2,1H3,(H,26,28)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a<1.00E+4n/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