BDBM50398678 CHEMBL2178152

SMILES CC#Cc1cncc(-c2csc([C@]34CN(c5cccc(OC(C)C)c5)C[C@H]3C(=O)N(C)C(N)=N4)c2)c1

InChI Key InChIKey=VYHWCJWNQFIBGN-UHFFFAOYSA-N

Data  1 KI  1 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 2 hits for monomerid = 50398678   

TargetBeta-secretase 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50398678BDBM50398678(CHEMBL2178152)
Affinity DataKi:  2nMAssay 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 50398678BDBM50398678(CHEMBL2178152)
Affinity DataIC50: 13nMAssay 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