BDBM50596248 CHEMBL5194897

SMILES C[C@]1(CS(=O)(=O)[C@@](C)(CF)C(=N)N1)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F

InChI Key InChIKey=GNWNOQLLBKOHTC-OALUTQOASA-N

Data  1 KI  2 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 = 50596248   

TargetBeta-secretase 1(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50596248(CHEMBL5194897)
Affinity DataKi:  2nMAssay Description:Inhibition of BACE1 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
LigandPNGBDBM50596248(CHEMBL5194897)
Affinity DataIC50:  5.42E+4nMAssay Description:Displacement of MK499 from human ERG expressed in HEK membrane by radio ligand binding competition assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetBeta-secretase 1(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50596248(CHEMBL5194897)
Affinity DataIC50:  3nMAssay Description:Inhibition of BACE1 (unknown origin) expressed in HEK293 cells expressing human APP with Swedish and London familial AD mutationMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed