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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 = 'BDBM173682'   
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))
BDBM173682
PNG
(US9102591, 2-chloro-N-((4,4-difluoro-1-(6-(trifluo...)
Show SMILES Cc1cccc(C(=O)NCC2(CCC(F)(F)CC2)c2ccc(nc2)C(F)(F)F)c1Cl
Show InChI InChI=1S/C21H20ClF5N2O/c1-13-3-2-4-15(17(13)22)18(30)29-12-19(7-9-20(23,24)10-8-19)14-5-6-16(28-11-14)21(25,26)27/h2-6,11H,7-10,12H2,1H3,(H,29,30)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 0.540n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent




US Patent US9649308 (2017)


Article DOI: 10.1016/j.bmcl.2006.10.057
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173682
PNG
(US9102591, 2-chloro-N-((4,4-difluoro-1-(6-(trifluo...)
Show SMILES Cc1cccc(C(=O)NCC2(CCC(F)(F)CC2)c2ccc(nc2)C(F)(F)F)c1Cl
Show InChI InChI=1S/C21H20ClF5N2O/c1-13-3-2-4-15(17(13)22)18(30)29-12-19(7-9-20(23,24)10-8-19)14-5-6-16(28-11-14)21(25,26)27/h2-6,11H,7-10,12H2,1H3,(H,29,30)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.540n/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)

More data for this
Ligand-Target Pair