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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 = 'BDBM113263'   
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))
BDBM113263
PNG
(US8633212, 41 | US9212153, 41)
Show SMILES CN1OC2(N=C1N)c1cc(ccc1CC21CCC(C)=C(C)C1)-c1cccc(c1)C#N
Show InChI InChI=1S/C25H26N4O/c1-16-9-10-24(13-17(16)2)14-21-8-7-20(19-6-4-5-18(11-19)15-26)12-22(21)25(24)28-23(27)29(3)30-25/h4-8,11-12H,9-10,13-14H2,1-3H3,(H2,27,28)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 161n/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