BDBM25870 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile::CHEMBL549::CITALOPRAM::CITALOPRAM HYDROBROMIDE::Escitalopram::[3H]Citalopram::[3H]Cytalopram::[3H]Escitalopram::[3H]Lexapro

SMILES CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1

InChI Key InChIKey=WSEQXVZVJXJVFP-UHFFFAOYSA-N

Data  130 KI  25 IC50  1 EC50

PDB links: 3 PDB IDs match this monomer.

  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 = 25870   

TargetAcetylcholinesterase(Homo sapiens (Human))
Universidad De Chile

Curated by ChEMBL
LigandPNGBDBM25870(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Affinity DataIC50:  7.33E+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 DepthDetails ArticlePubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Universidad De Chile

Curated by ChEMBL
LigandPNGBDBM25870(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Affinity DataIC50:  3nMAssay 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