BDBM50398696 CHEMBL2178717

SMILES CN1C(=O)[C@@H]2CN(c3ncccn3)C[C@]2(c2cc(-c3cccc(C#N)c3)cs2)N=C1N

InChI Key InChIKey=AAWSEFDIDJLXJF-UHFFFAOYSA-N

Data  2 KI  2 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 4 hits for monomerid = 50398696   

TargetBeta-secretase 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50398696BDBM50398696(CHEMBL2178717)
Affinity DataKi:  11nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50398696BDBM50398696(CHEMBL2178717)
Affinity DataKi:  11nMAssay Description:Inhibition of recombinant human BACE1 expressed in HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50398696BDBM50398696(CHEMBL2178717)
Affinity DataIC50: 31nMAssay Description:Inhibition of BACE1 in HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
TBA

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50398696BDBM50398696(CHEMBL2178717)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 30 mins followed by substrate/NADPH addition measured...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed