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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 = 'BDBM50414285'   
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))		BDBM50414285
PNG
(CHEMBL564366)
Show SMILES Cc1ccc2nc(CCNCCCO)ccc2c1NC(=O)CC12CC3CC(CC(C3)C1)C2 |TLB:23:22:25.24.29:27,29:24:31:28.27.30,29:28:31:25.24.23,21:22:25.24.29:27,THB:23:24:27:31.22.30,30:22:25:29.28.27,30:28:25:31.23.22,21:22:25:29.28.27|
Show InChI InChI=1S/C27H37N3O2/c1-18-3-6-24-23(5-4-22(29-24)7-9-28-8-2-10-31)26(18)30-25(32)17-27-14-19-11-20(15-27)13-21(12-19)16-27/h3-6,19-21,28,31H,2,7-17H2,1H3,(H,30,32)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 15.8n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7 receptor in human THP1 cells assessed as inhibition of BzATP-induced ethidium 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