BDBM50564643 CHEMBL4798281

SMILES COc1ccc2[nH]cc(CCCN3CCN(CC3)C(=O)CN3CCN(CC3)C(=O)c3ccccc3)c2c1

InChI Key InChIKey=NTRFUQVWSMCNPW-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 = 50564643   

TargetAcetylcholinesterase(Human)
Universidad De Chile

Curated by ChEMBL
LigandPNGBDBM50564643(CHEMBL4798281)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of human plasma AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured afte...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMed
TargetSodium-dependent serotonin transporter(Human)
Universidad De Chile

Curated by ChEMBL
LigandPNGBDBM50564643(CHEMBL4798281)
Affinity DataIC50: 1.00E+6nMAssay Description:Displacement of [3H]paroxetine from human SERT expressed in human HEK293 cells incubated for 30 mins by liquid scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMed