BDBM242976 US9422277, 39

SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1cncnc1

InChI Key InChIKey=CWAHDLMWDXXDLR-HNNXBMFYSA-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:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 242976   

TargetBeta-secretase 2(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM242976(US9422277, 39)
Affinity DataKi:  1.66E+3nM ΔG°:  -8.01kcal/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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM242976(US9422277, 39)
Affinity DataKi:  5.40E+3nM ΔG°:  -7.30kcal/molepH: 5.0 T: 2°CAssay Description:Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent