BDBM50540167 CHEMBL4642463

SMILES CCCCNC(=O)[C@@H]1C[C@H]1[C@]23COC[C@H]2CSC(=N3)N

InChI Key InChIKey=WVAFMFLAAGBATC-UHFFFAOYSA-N

Data  3 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50540167   

TargetBeta-secretase 1(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50540167(CHEMBL4642463)
Affinity DataIC50: 6.64E+3nMAssay Description:Inhibition of human BACE1 (1 to 460 residues) expressed in HEK293 cells using mcaFRET peptide as substrate after 20 hrs by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBeta-secretase 2(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50540167(CHEMBL4642463)
Affinity DataIC50: 7.33E+3nMAssay Description:Inhibition of human BACE2More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCathepsin D(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50540167(CHEMBL4642463)
Affinity DataIC50: 3.00E+5nMAssay Description:Inhibition of human cathepsin DMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed