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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM336565'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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
Article
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)


Article DOI: 10.1073/pnas.0504952102
More data for this
Ligand-Target Pair