BDBM242237 US9416129, 15::US9416129, 53

SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cccc(c1)-c1nnc(C)o1

InChI Key InChIKey=UAQNMLNBXRBMEC-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 242237   

TargetBeta-secretase 2(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM242237(US9416129, 53 | US9416129, 15)
Affinity DataKi:  3.80nM ΔG°:  -11.7kcal/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:
8/14/2017
Entry Details
US Patent

TargetBeta-secretase 1(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM242237(US9416129, 53 | US9416129, 15)
Affinity DataKi:  129nM ΔG°:  -9.55kcal/molepH: 5.0 T: 2°CAssay Description:Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 μl are preincubated with purified human BACE1 c...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2017
Entry Details
US Patent

TargetBeta-secretase 1(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM242237(US9416129, 53 | US9416129, 15)
Affinity DataKi:  129nM ΔG°:  -9.55kcal/molepH: 5.0 T: 2°CAssay Description:Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 μl are preincubated with purified human BACE1 c...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2017
Entry Details
US Patent