BDBM120265 US8703947, 11a::US8703947, 11b

SMILES CN(Cc1csc(C)n1)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C1NCCN(Cc2ccccc2)C1=O

InChI Key InChIKey=JCNCCHUDAASMSY-UHFFFAOYSA-N

Data  2 KI  1 IC50

  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 = 120265   

TargetBeta-secretase 1(Human)
Purdue Research Foundation

US Patent
LigandPNGBDBM120265(US8703947, 11b | US8703947, 11a)
Affinity DataKi: <1.00E+3nM ΔG°: <-8.51kcal/mole IC50: 1.00E+4nMpH: 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

TargetBeta-secretase 1(Human)
Purdue Research Foundation

US Patent
LigandPNGBDBM120265(US8703947, 11b | US8703947, 11a)
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
Go to US Patent