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BDBM113267 US8633212, 45

SMILES: CN1OC2(N=C1N)c1cc(ccc1CC21CCc2ccccc2C1)-c1cccc(c1)C#N

InChI Key: InChIKey=MSYXYCKNYXJRHO-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 = 113267   
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))
BDBM113267
PNG
(US8633212, 45)
Show SMILES CN1OC2(N=C1N)c1cc(ccc1CC21CCc2ccccc2C1)-c1cccc(c1)C#N
Show InChI InChI=1S/C27H24N4O/c1-31-25(29)30-27(32-31)24-14-21(20-8-4-5-18(13-20)17-28)9-10-23(24)16-26(27)12-11-19-6-2-3-7-22(19)15-26/h2-10,13-14H,11-12,15-16H2,1H3,(H2,29,30)
PDB
MMDB

B.MOAD
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PC cid
PC sid
UniChem

Similars

n/an/a 195n/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