BDBM120272 US8703947, GRL- 0849AL

SMILES CC(C)CN1CCN[C@@H]([C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(cc(c2)C(=O)N[C@H](C)c2ccccc2)N(C)S(C)(=O)=O)C1=O

InChI Key InChIKey=XVHBFKBJMOUAGF-UHFFFAOYSA-N

Data  2 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 120272   

TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM120272(US8703947, GRL- 0849AL)
Affinity DataKi:  13nMAssay Description:Inhibition of recombinant human BACE1 (Ala8P to Ala326 residues) expressed in Escherichia coli BL21(DE3) using Arg-Glu(EDANS)-Glu-Val-Asn-Leu-Asp-Ala...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/4/2019
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM120272(US8703947, GRL- 0849AL)
Affinity DataKi: <1.00E+3nM ΔG°: <-8.51kcal/molepH: 4.0 T: 2°CAssay Description:The potencies of compounds were determined by measurement of their inhibition of memapsin 2 catalytic activity toward a fluorescent substrate. Kineti...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/14/2014
Entry Details
Go to US Patent