BDBM376718 US9918985, Example 50 Isomer 2

SMILES CC1=N[C@@]2(CC(Oc3ccc(cc23)-c2cccc(Cl)c2)[C@H]2CCOC(C)(C)C2)N=C1N

InChI Key InChIKey=PNGMSULGCSIWPT-YHLDMFKXSA-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
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 376718   

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

US Patent
LigandPNGBDBM376718(US9918985, Example 50 Isomer 2)
Affinity DataIC50:  5nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent