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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 = 'BDBM398155'   
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))
BDBM398155
PNG
(4-chloro-N-((3,3-difluoro-5-(trifluoromethyl) cycl...)
Show SMILES FC(F)(F)C1CC(CNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)CC(F)(F)C1
Show InChI InChI=1S/C20H20ClF5N2O2/c21-15-2-1-3-16-17(15)14(8-28(16)13-9-30-10-13)18(29)27-7-11-4-12(20(24,25)26)6-19(22,23)5-11/h1-3,8,11-13H,4-7,9-10H2,(H,27,29)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
Agonist-induced pore formation was determined by measuring cellular uptake of YO PRO fluorescence dye in HEK293 transfected with human P2X7 receptor....


US Patent US10676433 (2020)


BindingDB Entry DOI: 10.7270/Q2HD7ZQ2
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM398155
PNG
(4-chloro-N-((3,3-difluoro-5-(trifluoromethyl) cycl...)
Show SMILES FC(F)(F)C1CC(CNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)CC(F)(F)C1
Show InChI InChI=1S/C20H20ClF5N2O2/c21-15-2-1-3-16-17(15)14(8-28(16)13-9-30-10-13)18(29)27-7-11-4-12(20(24,25)26)6-19(22,23)5-11/h1-3,8,11-13H,4-7,9-10H2,(H,27,29)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/an/an/an/an/an/a



Philipps-University Marburg



Assay Description
Agonist-induced pore formation was determined by measuring cellular uptake of YO PRO fluorescence dye in HEK293 transfected with human P2X7 receptor....


Bioorg Med Chem 16: 8574-86 (2008)


BindingDB Entry DOI: 10.7270/Q26M395S
More data for this
Ligand-Target Pair