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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 = 'BDBM173643'   
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))
BDBM173643
PNG
(US9102591, 2,3-Dichloro-N-[4-methyl-2-(6-methyl-py...)
Show SMILES CC(C)CC(CNC(=O)c1cccc(Cl)c1Cl)c1ccc(C)nc1
Show InChI InChI=1S/C19H22Cl2N2O/c1-12(2)9-15(14-8-7-13(3)22-10-14)11-23-19(24)16-5-4-6-17(20)18(16)21/h4-8,10,12,15H,9,11H2,1-3H3,(H,23,24)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9649308 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2R29
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173643
PNG
(US9102591, 2,3-Dichloro-N-[4-methyl-2-(6-methyl-py...)
Show SMILES CC(C)CC(CNC(=O)c1cccc(Cl)c1Cl)c1ccc(C)nc1
Show InChI InChI=1S/C19H22Cl2N2O/c1-12(2)9-15(14-8-7-13(3)22-10-14)11-23-19(24)16-5-4-6-17(20)18(16)21/h4-8,10,12,15H,9,11H2,1-3H3,(H,23,24)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair