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SMILES: CN(C)Cc1cc(F)ccc1Sc1ccc(C)cc1N

InChI Key: InChIKey=AXPUUJUJROBSFI-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50218673   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50218673
PNG
(2-(2-((dimethylamino)methyl)-4-fluorophenylthio)-5...)
Show SMILES CN(C)Cc1cc(F)ccc1Sc1ccc(C)cc1N
Show InChI InChI=1S/C16H19FN2S/c1-11-4-6-16(14(18)8-11)20-15-7-5-13(17)9-12(15)10-19(2)3/h4-9H,10,18H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.270n/an/an/an/an/an/an/an/a



Institut für Interdisziplinäre Isotopenforschung

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in rat brain


Bioorg Med Chem Lett 17: 4991-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.082
BindingDB Entry DOI: 10.7270/Q2B27TZJ
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50218673
PNG
(2-(2-((dimethylamino)methyl)-4-fluorophenylthio)-5...)
Show SMILES CN(C)Cc1cc(F)ccc1Sc1ccc(C)cc1N
Show InChI InChI=1S/C16H19FN2S/c1-11-4-6-16(14(18)8-11)20-15-7-5-13(17)9-12(15)10-19(2)3/h4-9H,10,18H2,1-3H3
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.04E+3n/an/an/an/an/an/an/an/a



Institut für Interdisziplinäre Isotopenforschung

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat brain


Bioorg Med Chem Lett 17: 4991-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.082
BindingDB Entry DOI: 10.7270/Q2B27TZJ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50218673
PNG
(2-(2-((dimethylamino)methyl)-4-fluorophenylthio)-5...)
Show SMILES CN(C)Cc1cc(F)ccc1Sc1ccc(C)cc1N
Show InChI InChI=1S/C16H19FN2S/c1-11-4-6-16(14(18)8-11)20-15-7-5-13(17)9-12(15)10-19(2)3/h4-9H,10,18H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.65E+3n/an/an/an/an/an/an/an/a



Institut für Interdisziplinäre Isotopenforschung

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35428 from DAT in rat brain


Bioorg Med Chem Lett 17: 4991-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.082
BindingDB Entry DOI: 10.7270/Q2B27TZJ
More data for this
Ligand-Target Pair