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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 = 'BDBM402430'   
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))
BDBM402430
PNG
(US10329291, Example 21)
Show SMILES COc1cnc2c(Nc3ccc(F)c(c3)[C@]34CCC[C@H]3S(=O)(=O)N(C)C(=N)N4)ccnc2c1 |r|
Show InChI InChI=1S/C22H23FN6O3S/c1-29-21(24)28-22(8-3-4-19(22)33(29,30)31)15-10-13(5-6-16(15)23)27-17-7-9-25-18-11-14(32-2)12-26-20(17)18/h5-7,9-12,19H,3-4,8H2,1-2H3,(H2,24,28)(H,25,27)/t19-,22-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
206n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd



Assay Description
The compounds of the invention were assessed for their ability to inhibit BACE-1 using the following assay. The resulting values are reported in the ...


Bioorg Med Chem 17: 6590-605 (2009)


BindingDB Entry DOI: 10.7270/Q2ZW1P72
More data for this
Ligand-Target Pair