BDBM50230706 CHEMBL253387::N,N-dimethyl-2-(2'-amino-4'-hydroxymethyl-phenylthio)-5-iodobenzylamine

SMILES CN(C)Cc1cc(I)ccc1Sc1ccc(CO)cc1N

InChI Key InChIKey=ZUJSUIUCXPKMMG-UHFFFAOYSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50230706   

TargetSodium-dependent serotonin transporter(Human)
Emory University

Curated by ChEMBL
LigandPNGBDBM50230706(N,N-dimethyl-2-(2'-amino-4'-hydroxymethyl-phenylth...)
Affinity DataKi:  0.310nMAssay Description:Displacement of [3H]citalopram from human SERT expressed in HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/11/2009
Entry Details Article
PubMed
TargetSodium-dependent noradrenaline transporter(Human)
Emory University

Curated by ChEMBL
LigandPNGBDBM50230706(N,N-dimethyl-2-(2'-amino-4'-hydroxymethyl-phenylth...)
Affinity DataKi:  467nMAssay Description:Displacement of [3H]nisoxetine from human NET t expressed in HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/11/2009
Entry Details Article
PubMed
TargetSodium-dependent dopamine transporter(Human)
Emory University

Curated by ChEMBL
LigandPNGBDBM50230706(N,N-dimethyl-2-(2'-amino-4'-hydroxymethyl-phenylth...)
Affinity DataKi: >2.00E+3nMAssay Description:Displacement of [125I]RTI-55 from human DAT expressed in MDCK cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/11/2009
Entry Details Article
PubMed