BDBM247285 US9447085, 7

SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=N)c2ccc(Br)cn2)ccc1F

InChI Key InChIKey=LSSMWMYJRZHNEP-UHFFFAOYSA-N

Data  2 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 247285   

TargetBeta-secretase 2(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM247285(US9447085, 7)
Affinity DataKi:  148nM ΔG°:  -9.47kcal/molepH: 5.0 T: 2°CAssay Description:Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0....More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/5/2017
Entry Details
US Patent

TargetBeta-secretase 1(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM247285(US9447085, 7)
Affinity DataKi:  371nM ΔG°:  -8.91kcal/molepH: 5.0 T: 2°CAssay Description:This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/5/2017
Entry Details
US Patent