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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1 (BACE)' and Ligand = 'BDBM113271'   
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
Beta-secretase 1 (BACE)


(Homo sapiens (Human))
BDBM113271
PNG
(US8633212, 49)
Show SMILES CCOC1CCC2(Cc3ccc(cc3C22CC(=N)N(C)O2)-c2cccc(c2)[N+]#[C-])CC1
Show InChI InChI=1S/C26H29N3O2/c1-4-30-22-10-12-25(13-11-22)16-20-9-8-19(18-6-5-7-21(14-18)28-2)15-23(20)26(25)17-24(27)29(3)31-26/h5-9,14-15,22,27H,4,10-13,16-17H2,1,3H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 41.7n/an/an/an/a4.525



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
Inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE activity. The assay was performed at room temperature in 96-well...


US Patent US8633212 (2014)


BindingDB Entry DOI: 10.7270/Q2V123D3
More data for this
Ligand-Target Pair