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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 = 'BDBM113235'   
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))
BDBM113235
PNG
(US8633212, 13)
Show SMILES COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2ccc(F)c(Cl)c2)CC1
Show InChI InChI=1S/C23H25ClFN3O2/c1-28-21(26)27-23(30-28)18-11-14(15-5-6-20(25)19(24)12-15)3-4-16(18)13-22(23)9-7-17(29-2)8-10-22/h3-6,11-12,17H,7-10,13H2,1-2H3,(H2,26,27)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8.80n/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