BDBM50550232 CHEMBL4762083

SMILES COc1ccc2[nH]cc(CCNC(=O)CN(CCCCCCCCNc3c4CCCCc4nc4ccccc34)C(=O)CCCC[C@@H]3CCSS3)c2c1

InChI Key InChIKey=MXODBKYHGKYPJW-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 50550232   

TargetCholinesterase(Horse)
UBFC

Curated by ChEMBL
LigandPNGBDBM50550232(CHEMBL4762083)
Affinity DataIC50: 1.30nMAssay Description:Inhibition of horse serum BuChE pre-incubated for 10 mins before addition of butyrylthiocholine iodide substrate and further incubated for 15 mins by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetAcetylcholinesterase(Electric eel)
UBFC

Curated by ChEMBL
LigandPNGBDBM50550232(CHEMBL4762083)
Affinity DataIC50: 3.60nMAssay Description:Inhibition of Electrophorus electricus AChE pre-incubated for 10 mins before addition of acetylthiocholine iodide substrate and further incubated for...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
UBFC

Curated by ChEMBL
LigandPNGBDBM50550232(CHEMBL4762083)
Affinity DataIC50: 180nMAssay Description:Inhibition of AChE in human erythrocyte hemo-lyzates pre-incubated for 5 mins before addition of acetylthiocholine iodide substrate by Ellman's metho...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetCholinesterase(Human)
UBFC

Curated by ChEMBL
LigandPNGBDBM50550232(CHEMBL4762083)
Affinity DataIC50: 211nMAssay Description:Inhibition of BuChE in human erythrocyte hemo-lyzates pre-incubated for 5 mins before addition of butyrylthiocholine iodide substrate by Ellman's met...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed