BDBM242985 US9422277, 48

SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)C1CC1

InChI Key InChIKey=ODAJKRKMLUSTCZ-UHFFFAOYSA-N

Data  2 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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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 = 242985   

TargetBeta-secretase 2(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM242985(US9422277, 48)
Affinity DataKi:  116nM ΔG°:  -9.61kcal/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
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TargetBeta-secretase 1(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM242985(US9422277, 48)
Affinity DataKi:  882nM ΔG°:  -8.39kcal/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
In Depth
Date in BDB:
8/14/2017
Entry Details
Go to US Patent