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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM50216403'   
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))		BDBM50216403
PNG
(CHEMBL230295 | N-(2-oxo-2-(4-phenylpiperazin-1-yl)...)
Show SMILES O=C(CNS(=O)(=O)c1cccc2cnccc12)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C21H22N4O3S/c26-21(25-13-11-24(12-14-25)18-6-2-1-3-7-18)16-23-29(27,28)20-8-4-5-17-15-22-10-9-19(17)20/h1-10,15,23H,11-14,16H2
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium influx

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
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50216403
PNG
(CHEMBL230295 | N-(2-oxo-2-(4-phenylpiperazin-1-yl)...)
Show SMILES O=C(CNS(=O)(=O)c1cccc2cnccc12)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C21H22N4O3S/c26-21(25-13-11-24(12-14-25)18-6-2-1-3-7-18)16-23-29(27,28)20-8-4-5-17-15-22-10-9-19(17)20/h1-10,15,23H,11-14,16H2
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as effect on intracellular calcium influx

J Med Chem 50: 3706-15 (2007)


Article DOI: 10.1021/jm070443e
BindingDB Entry DOI: 10.7270/Q2PN95CS
More data for this
Ligand-Target Pair