BDBM376580 US9918985, Example 20i Isomer 2

SMILES CO[C@H]1CC[C@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)C#CC2CC2)CC1

InChI Key InChIKey=ZTHSMBOBTMQWJX-UHFFFAOYSA-N

Data  1 IC50

  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 = 376580   

TargetBeta-secretase 1 [1-460](Human)
Astrazeneca

US Patent
LigandPNGBDBM376580(US9918985, Example 20i Isomer 2)
Affinity DataIC50: 2.20nMAssay Description:The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/4/2020
Entry Details
Go to US Patent