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BDBM113254 US8633212, 32

SMILES: COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cc(F)ccc2C)CC1

InChI Key: InChIKey=HMIWEFCAUJPAMA-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 113254   
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))
BDBM113254
PNG
(US8633212, 32)
Show SMILES COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cc(F)ccc2C)CC1
Show InChI InChI=1S/C24H28FN3O2/c1-15-4-7-18(25)13-20(15)16-5-6-17-14-23(10-8-19(29-3)9-11-23)24(21(17)12-16)27-22(26)28(2)30-24/h4-7,12-13,19H,8-11,14H2,1-3H3,(H2,26,27)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 74.1n/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