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BDBM113225 US8633212, 3

SMILES: COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)C#CC2CC2)CC1

InChI Key: InChIKey=WFTQDRDBPXDEDS-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 113225   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-secretase 1 (BACE)


(Homo sapiens (Human))
BDBM113225
PNG
(US8633212, 3)
Show SMILES COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)C#CC2CC2)CC1
Show InChI InChI=1S/C22H27N3O2/c1-25-20(23)24-22(27-25)19-13-16(6-5-15-3-4-15)7-8-17(19)14-21(22)11-9-18(26-2)10-12-21/h7-8,13,15,18H,3-4,9-12,14H2,1-2H3,(H2,23,24)
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MMDB

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 4.5n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair