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BDBM336565 N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-::US9744173, Example 71

SMILES: CCc1cc(on1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2

InChI Key: InChIKey=FNRRGXMDMGRGGI-YMNVWFMLSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 336565   
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))
BDBM336565
PNG
(N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6- | US...)
Show SMILES CCc1cc(on1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2
Show InChI InChI=1S/C17H21N5O3S2/c1-3-11-5-12(25-22-11)14(23)19-13-7-26-15(20-13)17-8-24-9(2)4-10(17)6-27-16(18)21-17/h5,7,9-10H,3-4,6,8H2,1-2H3,(H2,18,21)(H,19,23)/t9-,10-,17-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 9.26E+3n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Beta-secretase (BACE) is one of the enzymes involved in the generation of the amyloid beta peptide found in the amyloid plaques of Alzheimer's Di...


US Patent US9744173 (2017)

More data for this
Ligand-Target Pair