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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 = 'BDBM50415900'   
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))
BDBM50415900
PNG
(CHEMBL1095783)
Show SMILES Cc1nn(c(C)c1NC(=O)NCc1ccc(F)cc1Cl)-c1ccccc1
Show InChI InChI=1S/C19H18ClFN4O/c1-12-18(13(2)25(24-12)16-6-4-3-5-7-16)23-19(26)22-11-14-8-9-15(21)10-17(14)20/h3-10H,11H2,1-2H3,(H2,22,23,26)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 251n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation


Bioorg Med Chem Lett 20: 3161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.096
BindingDB Entry DOI: 10.7270/Q2W66N1B
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50415900
PNG
(CHEMBL1095783)
Show SMILES Cc1nn(c(C)c1NC(=O)NCc1ccc(F)cc1Cl)-c1ccccc1
Show InChI InChI=1S/C19H18ClFN4O/c1-12-18(13(2)25(24-12)16-6-4-3-5-7-16)23-19(26)22-11-14-8-9-15(21)10-17(14)20/h3-10H,11H2,1-2H3,(H2,22,23,26)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<1.00E+3n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7 receptor (unknown origin)


Bioorg Med Chem 22: 54-88 (2014)


Article DOI: 10.1016/j.bmc.2013.10.054
BindingDB Entry DOI: 10.7270/Q27M0BX7
More data for this
Ligand-Target Pair