BDBM50217565 (5-(4-(4-isopropyl-1,4-diazepan-1-yl)but-1-ynyl)-2-(4-(methylthio)phenoxy)phenyl)-N-methylmethanamine::CHEMBL398981

SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)C#CCCN1CCCN(CC1)C(C)C

InChI Key InChIKey=MKSDMOQTAOJLSE-UHFFFAOYSA-N

Data  3 KI

  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 3 hits for monomerid = 50217565   

TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM50217565((5-(4-(4-isopropyl-1,4-diazepan-1-yl)but-1-ynyl)-2...)
Affinity DataKi:  0.700nMAssay Description:Binding affinity to rat SERTMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM50217565((5-(4-(4-isopropyl-1,4-diazepan-1-yl)but-1-ynyl)-2...)
Affinity DataKi:  3.60nMAssay Description:Binding affinity to human SERTMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistamine H3 receptor(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM50217565((5-(4-(4-isopropyl-1,4-diazepan-1-yl)but-1-ynyl)-2...)
Affinity DataKi:  93nMAssay Description:Binding affinity to human histamine H3 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed