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BDBM50183146 CHEMBL426316::N-(4-fluoro-2-(trifluoromethyl)benzyl)-N-butylpiperidin-4-amine fumaric acid salt

SMILES: CCCCN(Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1

InChI Key: InChIKey=SBVQNQUTDWXCGV-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50183146   
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


(Homo sapiens (Human))
BDBM50183146
PNG
(CHEMBL426316 | N-(4-fluoro-2-(trifluoromethyl)benz...)
Show SMILES CCCCN(Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1
Show InChI InChI=1S/C17H24F4N2/c1-2-3-10-23(15-6-8-22-9-7-15)12-13-4-5-14(18)11-16(13)17(19,20)21/h4-5,11,15,22H,2-3,6-10,12H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.30n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT


Bioorg Med Chem Lett 16: 2714-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.008
BindingDB Entry DOI: 10.7270/Q2SF2VR6
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50183146
PNG
(CHEMBL426316 | N-(4-fluoro-2-(trifluoromethyl)benz...)
Show SMILES CCCCN(Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1
Show InChI InChI=1S/C17H24F4N2/c1-2-3-10-23(15-6-8-22-9-7-15)12-13-4-5-14(18)11-16(13)17(19,20)21/h4-5,11,15,22H,2-3,6-10,12H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.30n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET


Bioorg Med Chem Lett 16: 2714-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.008
BindingDB Entry DOI: 10.7270/Q2SF2VR6
More data for this
Ligand-Target Pair