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BDBM337566 US9745324, 35

SMILES: CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(C)=O)ccc1F

InChI Key: InChIKey=KJLPAFZYFCPHIK-INIZCTEOSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 337566   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-secretase 2


(Homo sapiens (Human))
BDBM337566
PNG
(US9745324, 35)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(C)=O)ccc1F
Show InChI InChI=1S/C16H23FN4O3S/c1-10(22)19-11-6-7-13(17)12(8-11)16(4)9-21(5)25(23,24)15(2,3)14(18)20-16/h6-8H,9H2,1-5H3,(H2,18,20)(H,19,22)/t16-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
917n/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
Beta-secretase 1


(Homo sapiens (Human))
BDBM337566
PNG
(US9745324, 35)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(C)=O)ccc1F
Show InChI InChI=1S/C16H23FN4O3S/c1-10(22)19-11-6-7-13(17)12(8-11)16(4)9-21(5)25(23,24)15(2,3)14(18)20-16/h6-8H,9H2,1-5H3,(H2,18,20)(H,19,22)/t16-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
5.93E+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