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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 = 'BDBM242026'   
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))
BDBM242026
PNG
(US9415055, 2-Chloro-N-[(S)-2-(4-chloro-phenyl)-2-m...)
Show SMILES Cc1cccc(C(=O)NC[C@@H](N2CCOCC2)c2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C20H22Cl2N2O2/c1-14-3-2-4-17(19(14)22)20(25)23-13-18(24-9-11-26-12-10-24)15-5-7-16(21)8-6-15/h2-8,18H,9-13H2,1H3,(H,23,25)/t18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 0.530n/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))
BDBM242026
PNG
(US9415055, 2-Chloro-N-[(S)-2-(4-chloro-phenyl)-2-m...)
Show SMILES Cc1cccc(C(=O)NC[C@@H](N2CCOCC2)c2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C20H22Cl2N2O2/c1-14-3-2-4-17(19(14)22)20(25)23-13-18(24-9-11-26-12-10-24)15-5-7-16(21)8-6-15/h2-8,18H,9-13H2,1H3,(H,23,25)/t18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.530n/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