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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 = 'BDBM113257'   
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))
BDBM113257
PNG
(US8633212, 35 | US9212153, 35)
Show SMILES CN1OC2(N=C1N)c1ccccc1CC21CCc2ccccc2CC1
Show InChI InChI=1S/C21H23N3O/c1-24-19(22)23-21(25-24)18-9-5-4-8-17(18)14-20(21)12-10-15-6-2-3-7-16(15)11-13-20/h2-9H,10-14H2,1H3,(H2,22,23)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 105n/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