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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 = 'BDBM337565'   
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))
BDBM337565
PNG
(US9745324, 34)
Show SMILES CO[C@@H](C)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CN(C)S(=O)(=O)C(C)(C)C(=N)N1
Show InChI InChI=1S/C18H27FN4O4S/c1-11(27-6)15(24)21-12-7-8-14(19)13(9-12)18(4)10-23(5)28(25,26)17(2,3)16(20)22-18/h7-9,11H,10H2,1-6H3,(H2,20,22)(H,21,24)/t11-,18-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
3.06E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...


US Patent US9745324 (2017)

More data for this
Ligand-Target Pair