BDBM50599319 Aplysamine-2::CHEMBL2062972

SMILES COc1ccc(C\C(=N/O)C(=O)NCCc2cc(Br)c(OCCCN(C)C)c(Br)c2)cc1Br

InChI Key InChIKey=RCOAHKXJTMBQLI-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50599319   

TargetAcetylcholinesterase(Electric eel)
University of Riau

Curated by ChEMBL
LigandPNGBDBM50599319(CHEMBL2062972 | Aplysamine-2)
Affinity DataIC50: 460nMAssay Description:Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated with enzyme for 30 mins followed by substrate addition by Ellman's ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetCholinesterase(Horse)
University of Riau

Curated by ChEMBL
LigandPNGBDBM50599319(CHEMBL2062972 | Aplysamine-2)
Affinity DataIC50: 1.03E+3nMAssay Description:Inhibition of horse BuChE using butyrylthiocholine as substrate preincubated with enzyme for 30 mins followed by substrate addition by Ellman's metho...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed