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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 = 'BDBM242222'   
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))
BDBM242222
PNG
(US9415055, 2,3-Dichloro-N-[2-(4-chloro-phenyl)-2-m...)
Show SMILES Clc1ccc(cc1)C(CNC(=O)c1cccc(Cl)c1Cl)N1CCOCC1
Show InChI InChI=1/C19H19Cl3N2O2/c20-14-6-4-13(5-7-14)17(24-8-10-26-11-9-24)12-23-19(25)15-2-1-3-16(21)18(15)22/h1-7,17H,8-12H2,(H,23,25)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 0.600n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent




US Patent US9593105 (2017)


Article DOI: 10.1021/jm020319p
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM242222
PNG
(US9415055, 2,3-Dichloro-N-[2-(4-chloro-phenyl)-2-m...)
Show SMILES Clc1ccc(cc1)C(CNC(=O)c1cccc(Cl)c1Cl)N1CCOCC1
Show InChI InChI=1/C19H19Cl3N2O2/c20-14-6-4-13(5-7-14)17(24-8-10-26-11-9-24)12-23-19(25)15-2-1-3-16(21)18(15)22/h1-7,17H,8-12H2,(H,23,25)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.600n/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)

More data for this
Ligand-Target Pair