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BDBM50294262 CHEMBL551556::rac-3-(piperidin-4-yl(2-(trifluoromethyl)phenoxy)methyl)pyridine

SMILES: FC(F)(F)c1ccccc1OC(C1CCNCC1)c1cccnc1

InChI Key: InChIKey=ABLMTRUAAOJKSC-UHFFFAOYSA-N

Data: 2 IC50

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 = 50294262   
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))
BDBM50294262
PNG
(CHEMBL551556 | rac-3-(piperidin-4-yl(2-(trifluorom...)
Show SMILES FC(F)(F)c1ccccc1OC(C1CCNCC1)c1cccnc1
Show InChI InChI=1S/C18H19F3N2O/c19-18(20,21)15-5-1-2-6-16(15)24-17(13-7-10-22-11-8-13)14-4-3-9-23-12-14/h1-6,9,12-13,17,22H,7-8,10-11H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 77n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human 5HTT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50294262
PNG
(CHEMBL551556 | rac-3-(piperidin-4-yl(2-(trifluorom...)
Show SMILES FC(F)(F)c1ccccc1OC(C1CCNCC1)c1cccnc1
Show InChI InChI=1S/C18H19F3N2O/c19-18(20,21)15-5-1-2-6-16(15)24-17(13-7-10-22-11-8-13)14-4-3-9-23-12-14/h1-6,9,12-13,17,22H,7-8,10-11H2
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 106n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair