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BDBM113285 US8633212, 63

SMILES: CN1OC2(N=C1N)c1cc(ccc1CCC21CCc2ccccc2CC1)-c1cccc(c1)C#N

InChI Key: InChIKey=GWWCGICESDTPKG-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 113285   
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))
BDBM113285
PNG
(US8633212, 63)
Show SMILES CN1OC2(N=C1N)c1cc(ccc1CCC21CCc2ccccc2CC1)-c1cccc(c1)C#N
Show InChI InChI=1S/C29H28N4O/c1-33-27(31)32-29(34-33)26-18-25(24-8-4-5-20(17-24)19-30)10-9-23(26)13-16-28(29)14-11-21-6-2-3-7-22(21)12-15-28/h2-10,17-18H,11-16H2,1H3,(H2,31,32)
PDB
MMDB

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PC cid
PC sid
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Similars

US Patent
n/an/a 5.05E+3n/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