BDBM50587068 CHEMBL5077684

SMILES Cc1nc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N

InChI Key InChIKey=MDZDVNVGBBGHLD-UHFFFAOYSA-N

Data  7 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 7 hits for monomerid = 50587068   

TargetBeta-secretase 1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50587068(CHEMBL5077684)
Affinity DataIC50: 62nMAssay Description:Inhibition of human recombinant BACE1 catalytic domain using FRET substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetBeta-secretase 2(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50587068(CHEMBL5077684)
Affinity DataIC50: 130nMAssay Description:Inhibition of human recombinant BACE2 catalytic domain using FRET substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetCathepsin D(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50587068(CHEMBL5077684)
Affinity DataIC50: 2.50E+5nMAssay Description:Inhibition of human cathepsin D using Mca-GKPILFFRLK(DNP)D-R-NH2 as a substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50587068(CHEMBL5077684)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate incubated 10 mins in presence of NADPH by solid phase extraction mass spe...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50587068(CHEMBL5077684)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate incubated 10 mins in presence of NADPH by solid phase extraction mass spe...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50587068(CHEMBL5077684)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate incubated 10 mins in presence of NADPH by solid phase extraction mass sp...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetAmyloid-beta precursor protein(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50587068(CHEMBL5077684)
Affinity DataIC50: 105nMAssay Description:Inhibition of wild type human APP751 expressed in CHO cells incubated for 24 hrs by immunoassayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed