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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 337554   
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))
BDBM337554
PNG
(US9745324, 23)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F |r|
Show InChI InChI=1S/C20H22ClF2N5O3S/c1-19(2)18(24)27-20(3,10-28(4)32(19,30)31)13-8-12(5-6-14(13)22)26-17(29)16-15(23)7-11(21)9-25-16/h5-9H,10H2,1-4H3,(H2,24,27)(H,26,29)/t20-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
6.40n/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)


BindingDB Entry DOI: 10.7270/Q2MS3VW8
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM337554
PNG
(US9745324, 23)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F |r|
Show InChI InChI=1S/C20H22ClF2N5O3S/c1-19(2)18(24)27-20(3,10-28(4)32(19,30)31)13-8-12(5-6-14(13)22)26-17(29)16-15(23)7-11(21)9-25-16/h5-9H,10H2,1-4H3,(H2,24,27)(H,26,29)/t20-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
21n/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)


BindingDB Entry DOI: 10.7270/Q2MS3VW8
More data for this
Ligand-Target Pair