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BDBM113369 US8633212, 548

SMILES: CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22CC(=N)N(C(C)C)C2=O)-c2cnc(C)nc2)CC1

InChI Key: InChIKey=HCTSCAWGPPMCIN-AHQGXOPPSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 113369   
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))
BDBM113369
PNG
(US8633212, 548)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22CC(=N)N(C(C)C)C2=O)-c2cnc(C)nc2)CC1
Show InChI InChI=1S/C26H32N4O2/c1-16(2)30-23(27)13-26(24(30)31)22-11-18(20-14-28-17(3)29-15-20)5-6-19(22)12-25(26)9-7-21(32-4)8-10-25/h5-6,11,14-16,21,27H,7-10,12-13H2,1-4H3/t21-,25-,26?
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 23n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


Citation and Details
More data for this
Ligand-Target Pair