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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 = 'BDBM337535'   
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))
BDBM337535
PNG
(US9745324, 4)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F
Show InChI InChI=1S/C21H24F3N5O4S/c1-20(2)18(25)28-21(3,11-29(4)34(20,31)32)14-9-12(5-7-15(14)22)27-17(30)16-8-6-13(10-26-16)33-19(23)24/h5-10,19H,11H2,1-4H3,(H2,25,28)(H,27,30)/t21-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
144n/an/an/an/an/an/an/an/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 US9745324 (2017)

More data for this
Ligand-Target Pair