BDBM50579156 CHEMBL4862716

SMILES CC1=CC2Cc3nc4cc(Cl)ccc4c(NCCCCCCCCCNS(=O)(=O)c4cn[nH]c4)c3C(C1)C2

InChI Key InChIKey=XVFMIEFXOOYHGW-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50579156   

TargetAcetylcholinesterase(Human)
University of Barcelona

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50579156BDBM50579156(CHEMBL4862716)
Affinity DataIC50: 2.40nMAssay Description:Inhibition of human recombinant AChE using acetylthiocholine iodide as a substrate preincubated for 20 mins followed by substrate addition by spectro...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed
TargetCholinesterase(Human)
University of Barcelona

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50579156BDBM50579156(CHEMBL4862716)
Affinity DataIC50: 50nMAssay Description:Inhibition of human serum BChE using butyrylthiocholine iodide as a substrate preincubated for 20 mins followed by substrate addition by spectrophoto...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
University of Barcelona

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50579156BDBM50579156(CHEMBL4862716)
Affinity DataIC50: 1.08E+4nMAssay Description:Inhibition of human recombinant BACE-1 expressed in Escherichia coli using panvera peptide as a substrate incubated for 1 hr by fluorescence analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed