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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 = 'BDBM242070'   
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))
BDBM242070
PNG
(US9415055, 2-chloro-N-[2-(4,4-difluoro-1-piperidyl...)
Show SMILES FC(F)(F)c1ncc(cn1)C(CNC(=O)c1ccccc1Cl)N1CCC(F)(F)CC1
Show InChI InChI=1S/C19H18ClF5N4O/c20-14-4-2-1-3-13(14)16(30)26-11-15(29-7-5-18(21,22)6-8-29)12-9-27-17(28-10-12)19(23,24)25/h1-4,9-10,15H,5-8,11H2,(H,26,30)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.80n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
Cell culture: 293 HEK cells, stably transfected with plasmids capable of expressing human P2X7 receptor, were cultured by standard methods. Cells wer...


US Patent US9593105 (2017)


BindingDB Entry DOI: 10.7270/Q2R49STH
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM242070
PNG
(US9415055, 2-chloro-N-[2-(4,4-difluoro-1-piperidyl...)
Show SMILES FC(F)(F)c1ncc(cn1)C(CNC(=O)c1ccccc1Cl)N1CCC(F)(F)CC1
Show InChI InChI=1S/C19H18ClF5N4O/c20-14-4-2-1-3-13(14)16(30)26-11-15(29-7-5-18(21,22)6-8-29)12-9-27-17(28-10-12)19(23,24)25/h1-4,9-10,15H,5-8,11H2,(H,26,30)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.80n/an/an/an/a7.437



H. Lundbeck A/S

US Patent


Assay Description
Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), NaH2PO42H2O (9.6 mM), HEPES (25 mM), sucrose (280...


US Patent US9415055 (2016)


BindingDB Entry DOI: 10.7270/Q2NC604C
More data for this
Ligand-Target Pair