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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 = 'BDBM50414303'   
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))		BDBM50414303
PNG
(CHEMBL560563)
Show SMILES CN(C)CCNC(=O)Cn1nc(cc1C)-c1ccc(Cl)c(c1)C(=O)NCC1(O)CCCCCC1
Show InChI InChI=1S/C25H36ClN5O3/c1-18-14-22(29-31(18)16-23(32)27-12-13-30(2)3)19-8-9-21(26)20(15-19)24(33)28-17-25(34)10-6-4-5-7-11-25/h8-9,14-15,34H,4-7,10-13,16-17H2,1-3H3,(H,27,32)(H,28,33)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.16n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7 receptor in human THP1 cells assessed as effect on BzATP-induced Yo-Pro uptake

J Med Chem 52: 3123-41 (2009)


Article DOI: 10.1021/jm801528x
BindingDB Entry DOI: 10.7270/Q2251KDR
More data for this
Ligand-Target Pair