BDBM439199 US10604534, Example 2

SMILES COc1ccnc(Oc2ccc(F)c(c2)[C@]23CO[C@@H](C)C[C@H]2S(=O)(=O)N(C)C(=N)N3)n1

InChI Key InChIKey=XPLUJYICMPHZLT-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 = 439199   

TargetBeta-secretase 1(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM439199(US10604534, Example 2)
Affinity DataKi:  7.5nMAssay Description:BACE1: Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); A...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2020
Entry Details
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TargetBeta-secretase 2(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM439199(US10604534, Example 2)
Affinity DataKi:  9.60nMAssay Description:BACE-2: Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2020
Entry Details
Go to US Patent