BDBM50452875 CHEMBL4212046

SMILES [H][C@]12CSC(N)=N[C@]1(CO[C@@H](C)C2)c1ncc(s1)C(=O)Nc1cccc(OC)n1

InChI Key InChIKey=JQPUNKDGBVSSQO-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 50452875   

TargetBeta-secretase 1(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50452875(CHEMBL4212046)
Affinity DataIC50: 0.0330nMAssay Description:Inhibition of BACE1 in human H4 cells transfected with wild type APP assessed as reduction in soluble portion of APPbeta level in cells incubated for...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50452875(CHEMBL4212046)
Affinity DataIC50: 110nMAssay Description:Inhibition of human BACE1 using biotin-GLTNIKTEEISEISYEVEFR-C[Oregon green]KK-OH as substrate after 3 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
LigandPNGBDBM50452875(CHEMBL4212046)
Affinity DataIC50: 4.80E+3nMAssay Description:Inhibition of human ERG expressed in CHOK1 cells for 5 mins at -80 mV holding potential by patch clamp methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCathepsin D(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50452875(CHEMBL4212046)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of Cathepsin D (unknown origin) by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed