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Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1 (BACE)' and Ligand = 'BDBM113240'   
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))
BDBM113240
PNG
(US8633212, 18 | US9212153, 18)
Show SMILES COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cccnc2)CC1
Show InChI InChI=1S/C22H26N4O2/c1-26-20(23)25-22(28-26)19-12-15(17-4-3-11-24-14-17)5-6-16(19)13-21(22)9-7-18(27-2)8-10-21/h3-6,11-12,14,18H,7-10,13H2,1-2H3,(H2,23,25)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 16.8n/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