BDBM50580217 CHEMBL5093195

SMILES Cc1nc(co1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)Cn2nc(cc2C(N)=N1)C#N

InChI Key InChIKey=VDXFKYHWRXWVOF-IBGZPJMESA-N

Data  2 KI  3 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 5 hits for monomerid = 50580217   

TargetBeta-secretase 2(Homo sapiens (Human))
Shionogi Pharmaceutical Research Center

Curated by ChEMBL
LigandPNGBDBM50580217(CHEMBL5093195)
Affinity DataKi:  0.290nMAssay Description:Binding affinity to BACE2 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Shionogi Pharmaceutical Research Center

Curated by ChEMBL
LigandPNGBDBM50580217(CHEMBL5093195)
Affinity DataKi:  0.690nMAssay Description:Binding affinity to BACE1 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Janssen Research & Development

Curated by ChEMBL
LigandPNGBDBM50580217(CHEMBL5093195)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of hERG expressed in HEK293 cells at -80 mV holding potential by automated patch-clamp methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Shionogi Pharmaceutical Research Center

Curated by ChEMBL
LigandPNGBDBM50580217(CHEMBL5093195)
Affinity DataIC50:  4.5nMAssay Description:Inhibition of BACE1 (1 to 454 residues) (unknown origin) using APP harboring Swedish Lys/Met mutant-derived peptide as substrate by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetAmyloid-beta precursor protein(Homo sapiens (Human))
Janssen Research & Development

Curated by ChEMBL
LigandPNGBDBM50580217(CHEMBL5093195)
Affinity DataIC50:  4.80nMAssay Description:Inhibition of human amyloid beta (1 to 42) in human SKNBE2 cells expressing wild-type amyloid precursor protein hAPP695 incubated for 18 hrs by sandw...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed