BDBM120267 US8703947, Comparison compound B

SMILES COc1cccc(C[C@@H]2CC[C@@H](N2)[C@@H](O)CNC(=O)c2cc(cc(c2)C(=O)N[C@H](C)c2ccccc2)N(C)S(C)(=O)=O)c1

InChI Key InChIKey=SVEAFVVOJHTSHZ-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 120267   

TargetBeta-secretase 1(Human)
Purdue Research Foundation

US Patent
LigandPNGBDBM120267(US8703947, Comparison compound B)
Affinity DataKi: >1.00E+4nM ΔG°: >-7.09kcal/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
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