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BDBM136849 US8865911, 86

SMILES: CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(cc(c2)C(F)F)C#N)CC1

InChI Key: InChIKey=WHKFJZYBRJHBJY-MZBJOSPHSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 136849   
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


(Homo sapiens (Human))
BDBM136849
PNG
(US8865911, 86)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(cc(c2)C(F)F)C#N)CC1
Show InChI InChI=1S/C26H26F2N4O/c1-15-24(30)32-26(31-15)22-12-17(19-9-16(14-29)10-20(11-19)23(27)28)3-4-18(22)13-25(26)7-5-21(33-2)6-8-25/h3-4,9-12,21,23H,5-8,13H2,1-2H3,(H2,30,32)/t21-,25-,26-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.5n/an/an/an/a9.2n/a



Astrazeneca AB

US Patent


Assay Description
TR-FRET AssayThe beta-secretase enzyme used in the TR-FRET is prepared as follows: The cDNA for the soluble part of the human beta-Secretase (AA 1-AA...


US Patent US8865911 (2014)


BindingDB Entry DOI: 10.7270/Q2T72G4T
More data for this
Ligand-Target Pair