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 156 hits for monomerid = 25870   

TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Boots Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM25870(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Affinity DataKi:  0.650nMMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Boots Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM25870(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Affinity DataKi:  0.650nMMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Boots Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM25870(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Affinity DataKi:  0.75nMMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
University Of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM25870(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Affinity DataKi:  0.780nMAssay Description:Inhibition of [125I]IDAM uptake at SERT (unknown origin) expressed in LLC-PK1 cell membranesMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Boots Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM25870(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Affinity DataKi:  0.820nMMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
University Of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM25870(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Affinity DataKi:  1.10nMMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
University Of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM25870(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Affinity DataKi:  1.13nMMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
University Of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM25870(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Affinity DataKi:  1.16nMMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Boots Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM25870(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Affinity DataKi:  1.5nMMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Boots Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM25870(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Affinity DataKi:  1.5nMAssay Description:Inhibition of [3H]citalopram binding to Serotonin transporter of rat cerebral cortexMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
University Of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM25870(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Affinity DataKi:  1.5nMMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
University Of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM25870(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Affinity DataKi:  1.60nMMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
University Of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM25870(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Affinity DataKi:  1.60nMAssay Description:Inhibition of [125I]-RTI-55 binding to human serotonin transporter expressed in human embryonic kidney cellsMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Boots Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM25870(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Affinity DataKi:  1.60nMAssay Description:Displacement of [3H]paroxetine from serotonin transporter of rat cerebral cortexMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
University Of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM25870(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Affinity DataKi:  1.60nMAssay Description:Inhibition of SERT (unknown origin)More data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Boots Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM25870(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Affinity DataKi:  1.80nMMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Boots Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM25870(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Affinity DataKi:  1.80nMMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Boots Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM25870(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Affinity DataKi:  1.94nMAssay Description:Displacement of [3H]citalopram from SERT in rat brain stem by scintillation countingMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Boots Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM25870(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Affinity DataKi:  2.40nMMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
University Of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM25870(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Affinity DataKi:  2.5nMMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Boots Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM25870(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Affinity DataKi:  2.71nMMore data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(MOUSE)
Mcneil Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM25870(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Affinity DataKi:  2.90nMAssay Description:Tested in vitro for serotonin(5-HT) neuronal uptake inhibitionMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Boots Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM25870(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Affinity DataKi:  3.51nMMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
University Of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM25870(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Affinity DataKi:  4.38nMAssay Description:Displacement of [3H]citalopram from human SERT expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
University Of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM25870(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Affinity DataKi:  4.38nMAssay Description:Displacement of [3H]citalopram from human SERT expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
University Of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM25870(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Affinity DataKi:  8.90nMMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Boots Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM25870(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Affinity DataKi:  9.20nMMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
University Of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM25870(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Affinity DataKi:  16nMAssay Description:Inhibition of [3H]5-HT uptake at human SERT expressed in COS7 cells after 3 mins by beta-countingMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
University Of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM25870(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Affinity DataKi:  19nMMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
University Of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM25870(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Affinity DataKi:  32.8nMAssay Description:Displacement of [3H]paroxetine from human SERT expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
University Of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM25870(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Affinity DataKi:  32.8nMAssay Description:Displacement of [3H]paroxetine from human SERT expressed in HEK293 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Rattus norvegicus (Rat))
University Of Turku

Curated by PDSP Ki Database
LigandPNGBDBM25870(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Affinity DataKi:  269nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistamine H1 receptor(Cavia porcellus (domestic guinea pig))
Emory University

Curated by PDSP Ki Database
LigandPNGBDBM25870(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Affinity DataKi:  283nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSigma non-opioid intracellular receptor 1(RAT)
Soochow University

Curated by ChEMBL
LigandPNGBDBM25870(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Affinity DataKi:  292nMAssay Description:Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in Sprague-Dawley rat brain membranes by scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistamine H1 receptor(RAT)
TBA

Curated by PDSP Ki Database
LigandPNGBDBM25870(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Affinity DataKi:  350nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Institut De Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM25870(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Affinity DataKi:  617nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
Target5-hydroxytryptamine receptor 2C(Rattus norvegicus (Rat))
University Of Turku

Curated by PDSP Ki Database
LigandPNGBDBM25870(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Affinity DataKi:  630nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistamine H1 receptor(RAT)
TBA

Curated by PDSP Ki Database
LigandPNGBDBM25870(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Affinity DataKi:  743nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2A(Rattus norvegicus (rat))
University Of Turku

Curated by PDSP Ki Database
LigandPNGBDBM25870(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Affinity DataKi:  1.00E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2A(Rattus norvegicus (rat))
University Of Turku

Curated by PDSP Ki Database
LigandPNGBDBM25870(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Affinity DataKi:  1.00E+3nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
Target5-hydroxytryptamine receptor 7(Rattus norvegicus (rat))
National Institute Of Neurological Disorders And Stroke

Curated by PDSP Ki Database
LigandPNGBDBM25870(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Affinity DataKi:  1.00E+3nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
Target5-hydroxytryptamine receptor 7(Rattus norvegicus (rat))
National Institute Of Neurological Disorders And Stroke

Curated by PDSP Ki Database
LigandPNGBDBM25870(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Affinity DataKi:  1.00E+3nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSodium-dependent noradrenaline transporter(MOUSE)
Mcneil Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM25870(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Affinity DataKi: >1.00E+3nMAssay Description:Tested in vitro for norepinephrine (NE) neuronal uptake inhibitionMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Emory University

Curated by PDSP Ki Database
LigandPNGBDBM25870(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Affinity DataKi:  1.21E+3nMMore data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank

TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Emory University

Curated by PDSP Ki Database
LigandPNGBDBM25870(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Affinity DataKi:  1.24E+3nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Emory University

Curated by PDSP Ki Database
LigandPNGBDBM25870(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Affinity DataKi:  1.43E+3nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAlpha-1A adrenergic receptor(Rattus norvegicus (Rat))
TBA

Curated by PDSP Ki Database
LigandPNGBDBM25870(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Affinity DataKi:  1.60E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-1A adrenergic receptor(Rattus norvegicus (Rat))
TBA

Curated by PDSP Ki Database
LigandPNGBDBM25870(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Affinity DataKi:  1.60E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistamine H1 receptor(Cavia porcellus (domestic guinea pig))
Emory University

Curated by PDSP Ki Database
LigandPNGBDBM25870(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Affinity DataKi:  1.97E+3nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
Target5-hydroxytryptamine receptor 2C(PORCINE)
Emory University

Curated by PDSP Ki Database
LigandPNGBDBM25870(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Affinity DataKi:  2.05E+3nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
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