BDBM50462002 CHEMBL4226994

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

InChI Key InChIKey=DKIWJWSKVCKJPV-RLFYNMQTSA-N

Data  5 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50462002   

TargetBeta-secretase 2(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50462002(CHEMBL4226994)
Affinity DataIC50:  44nMAssay Description:Inhibition of BACE2 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed

TargetCathepsin D(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50462002(CHEMBL4226994)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of Cathepsin D (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed

TargetBeta-secretase 1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50462002(CHEMBL4226994)
Affinity DataIC50:  1.90nMAssay 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 sidPDB
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetCytochrome P450 2D6(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50462002(CHEMBL4226994)
Affinity DataIC50:  5.10E+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 sidPDB
In DepthDetails ArticlePubMed

TargetBeta-secretase 1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50462002(CHEMBL4226994)
Affinity DataIC50:  8.70nMAssay 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 sidPDB
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)