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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 = 'BDBM173652'   
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))
BDBM173652
PNG
(US9102591, 2-chloro-N-[[4,4-difluoro-1-(6-fluoro-3...)
Show SMILES Fc1ccc(cn1)C1(CNC(=O)c2cc(ccc2Cl)C(F)(F)F)CCC(F)(F)CC1
Show InChI InChI=1S/C20H17ClF6N2O/c21-15-3-1-12(20(25,26)27)9-14(15)17(30)29-11-18(5-7-19(23,24)8-6-18)13-2-4-16(22)28-10-13/h1-4,9-10H,5-8,11H2,(H,29,30)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.20n/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))
BDBM173652
PNG
(US9102591, 2-chloro-N-[[4,4-difluoro-1-(6-fluoro-3...)
Show SMILES Fc1ccc(cn1)C1(CNC(=O)c2cc(ccc2Cl)C(F)(F)F)CCC(F)(F)CC1
Show InChI InChI=1S/C20H17ClF6N2O/c21-15-3-1-12(20(25,26)27)9-14(15)17(30)29-11-18(5-7-19(23,24)8-6-18)13-2-4-16(22)28-10-13/h1-4,9-10H,5-8,11H2,(H,29,30)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.20n/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