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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 = 'BDBM50417267'   
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))
BDBM50417267
PNG
(CHEMBL1271768)
Show SMILES CN1[C@@H](COC1=O)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C13H12ClF3N2O3/c1-19-9(6-22-12(19)21)11(20)18-5-7-3-2-4-8(10(7)14)13(15,16)17/h2-4,9H,5-6H2,1H3,(H,18,20)/t9-/m0/s1
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



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay


Bioorg Med Chem Lett 20: 6370-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.101
BindingDB Entry DOI: 10.7270/Q2NC62GP
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50417267
PNG
(CHEMBL1271768)
Show SMILES CN1[C@@H](COC1=O)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C13H12ClF3N2O3/c1-19-9(6-22-12(19)21)11(20)18-5-7-3-2-4-8(10(7)14)13(15,16)17/h2-4,9H,5-6H2,1H3,(H,18,20)/t9-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 expressed in human HEK293 cells assessed as reduction in BzATP-stimulated TO-PRO-3 incorporation preincubated with compound ...


J Med Chem 63: 2074-2094 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00584
BindingDB Entry DOI: 10.7270/Q2251NR2
More data for this
Ligand-Target Pair