BDBM50462004 CHEMBL4226007

SMILES [H][C@@]1(OC(N)=N[C@@](C)([C@H]1F)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F)[C@@H](C)F

InChI Key InChIKey=XLLBJPJPZUZGIT-KRAREHRYSA-N

Data  5 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 = 50462004   

TargetCytochrome P450 2D6(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50462004(CHEMBL4226007)
Affinity DataIC50:  3.40E+3nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 15 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50462004(CHEMBL4226007)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of Cathepsin D (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50462004(CHEMBL4226007)
Affinity DataIC50:  1.10nMAssay Description:Inhibition of BACE1 in human SH-SY5Y cells harboring wild-type human beta-APP assessed as reduction in secreted amyloid beta (1 to 40) after 24 hrs b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50462004(CHEMBL4226007)
Affinity DataIC50:  12nMAssay Description:Inhibition of recombinant human BACE1 (43 to 454 residues) expressed in Escherichia coli BL21(DE3) using Biotin-epsilon-amino-n-capronic acid-SEVNLDA...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetBeta-secretase 2(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50462004(CHEMBL4226007)
Affinity DataIC50:  30nMAssay Description:Inhibition of BACE2 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed