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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 = 'BDBM50510522'   
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))
BDBM50510522
PNG
(CHEMBL4472623)
Show SMILES CC1(C)OB(OC1(C)C)C1=CCCC1 |t:10|
Show InChI InChI=1S/C11H19BO2/c1-10(2)11(3,4)14-12(13-10)9-7-5-6-8-9/h7H,5-6,8H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 31n/an/an/an/an/an/a



EMD Serono Research and Development Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mi...


Bioorg Med Chem Lett 29: 1660-1664 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.033
BindingDB Entry DOI: 10.7270/Q2GM8BNV
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50510522
PNG
(CHEMBL4472623)
Show SMILES CC1(C)OB(OC1(C)C)C1=CCCC1 |t:10|
Show InChI InChI=1S/C11H19BO2/c1-10(2)11(3,4)14-12(13-10)9-7-5-6-8-9/h7H,5-6,8H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 75n/an/an/an/an/an/a



EMD Serono Research and Development Institute

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7R in LPS-stimulated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated for 30 mins fol...


Bioorg Med Chem Lett 29: 1660-1664 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.033
BindingDB Entry DOI: 10.7270/Q2GM8BNV
More data for this
Ligand-Target Pair