BDBM136830 US10231967, Example 67::US8865911, 67::US8865911, 68 Isomer 1::US9918985, Example 68 Isomer 2

SMILES CCC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)-c1cncc(c1)C#CC

InChI Key InChIKey=CGJQMXWLLKPNOI-JZGZJDTKSA-N

Data  7 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 136830   

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

US Patent
LigandPNGBDBM136830(US10231967, Example 67 | US8865911, 67 | US8865911...)
Affinity DataIC50:  9.97E+3nMAssay 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 DepthDetails US Patent
TargetBeta-secretase 1 [1-460](Homo sapiens (Human))
Astrazeneca

US Patent
LigandPNGBDBM136830(US10231967, Example 67 | US8865911, 67 | US8865911...)
Affinity DataIC50:  2nMAssay 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 DepthDetails US Patent
TargetBeta-secretase 1 [1-460](Homo sapiens (Human))
Astrazeneca

US Patent
LigandPNGBDBM136830(US10231967, Example 67 | US8865911, 67 | US8865911...)
Affinity DataIC50:  1.20nMAssay 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 DepthDetails US Patent