BDBM50172100 CHEMBL3809870

SMILES CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)-c1ccccc1CCc1ccc(NC(=O)c2ccc(F)cc2)cn1

InChI Key InChIKey=RTOUKFMBOVMEOT-UHFFFAOYSA-N

Data  3 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50172100   

TargetBeta-secretase 1(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50172100(CHEMBL3809870)
Affinity DataIC50:  0.800nMAssay Description:Inhibition of human recombinant BACE1 expressed in HEK293 cells using peptide sequence EVNLAAEF as substrate preincubated for 60 mins followed by sub...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetBeta-secretase 1(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50172100(CHEMBL3809870)
Affinity DataKd:  0.400nMAssay Description:Binding affinity to BACE1 (unknown origin) by surface plasmon resonance spectroscopic analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetBeta-secretase 1(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50172100(CHEMBL3809870)
Affinity DataIC50:  16nMAssay Description:Inhibition of BACE1 (unknown origin) by cell based assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetCathepsin D(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50172100(CHEMBL3809870)
Affinity DataIC50:  1.90E+3nMAssay Description:Inhibition of Cathepsin D (unknown origin) by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed