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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'beta-Secretase (BACE-1)' and Ligand = 'BDBM29751'   
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 (BACE-1)


(Homo sapiens (human))
BDBM29751
PNG
(macrocyclic peptidomimetic, 3e)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CCCCCCCCCCC(=O)N[C@@H](C)C(=O)N1
Show InChI InChI=1S/C24H45N3O4/c1-4-5-16-25-23(30)18(2)17-21(28)20-14-12-10-8-6-7-9-11-13-15-22(29)26-19(3)24(31)27-20/h18-21,28H,4-17H2,1-3H3,(H,25,30)(H,26,29)(H,27,31)/t18-,19+,20+,21+/m1/s1
PDB
MMDB

KEGG

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/an/an/an/a4.522



Novartis



Assay Description
Inhibition assays were done in black 96-well plates by adding test compounds to the respective enzyme in assay buffer. Plates were incubated at room ...


Bioorg Med Chem Lett 19: 1361-5 (2009)

More data for this
Ligand-Target Pair