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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 2' and Ligand = 'BDBM291124'   
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 2


(Homo sapiens (Human))
BDBM291124
PNG
(US9580396, Example 2p)
Show SMILES CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)c4ccn(n4)C(F)F)cc23)CS1(=O)=O |r|
Show InChI InChI=1S/C17H18F2N6O4S/c1-24-16(20)22-17(9-30(24,27)28)5-7-29-13-3-2-10(8-11(13)17)21-14(26)12-4-6-25(23-12)15(18)19/h2-4,6,8,15H,5,7,9H2,1H3,(H2,20,22)(H,21,26)/t17-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
3n/an/an/an/an/an/a5.0n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US9580396 (2017)


BindingDB Entry DOI: 10.7270/Q29K4D9S
More data for this
Ligand-Target Pair