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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 = 'BDBM113280'   
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))
BDBM113280
PNG
(US8633212, 58 | US9212153, 58)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22CC(=O)N(C)C(N)=N2)-c2cccc(c2)C#N)CC1
Show InChI InChI=1S/C26H28N4O2/c1-30-23(31)15-26(29-24(30)28)22-13-19(18-5-3-4-17(12-18)16-27)6-7-20(22)14-25(26)10-8-21(32-2)9-11-25/h3-7,12-13,21H,8-11,14-15H2,1-2H3,(H2,28,29)/t21-,25-,26?
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 970n/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