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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 = 'BDBM173667'   
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))
BDBM173667
PNG
(US9102591, 2,3-dichloro-N-((1-(6-cyclopropylpyridi...)
Show SMILES FC1(F)CCC(CNC(=O)c2cccc(Cl)c2Cl)(CC1)c1ccc(nc1)C1CC1
Show InChI InChI=1S/C22H22Cl2F2N2O/c23-17-3-1-2-16(19(17)24)20(29)28-13-21(8-10-22(25,26)11-9-21)15-6-7-18(27-12-15)14-4-5-14/h1-3,6-7,12,14H,4-5,8-11,13H2,(H,28,29)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.30n/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))
BDBM173667
PNG
(US9102591, 2,3-dichloro-N-((1-(6-cyclopropylpyridi...)
Show SMILES FC1(F)CCC(CNC(=O)c2cccc(Cl)c2Cl)(CC1)c1ccc(nc1)C1CC1
Show InChI InChI=1S/C22H22Cl2F2N2O/c23-17-3-1-2-16(19(17)24)20(29)28-13-21(8-10-22(25,26)11-9-21)15-6-7-18(27-12-15)14-4-5-14/h1-3,6-7,12,14H,4-5,8-11,13H2,(H,28,29)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.30n/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