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BDBM50136687 CHEMBL141974::Methyl-[3-(naphthalen-1-yloxy)-3-(3-trifluoromethyl-phenyl)-propyl]-amine

SMILES: CNCCC(Oc1cccc2ccccc12)c1cccc(c1)C(F)(F)F

InChI Key: InChIKey=NRBVOOUZUSJEKA-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50136687   
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))
BDBM50136687
PNG
(CHEMBL141974 | Methyl-[3-(naphthalen-1-yloxy)-3-(3...)
Show SMILES CNCCC(Oc1cccc2ccccc12)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H20F3NO/c1-25-13-12-19(16-8-4-9-17(14-16)21(22,23)24)26-20-11-5-7-15-6-2-3-10-18(15)20/h2-11,14,19,25H,12-13H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
19n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to serotonin transporter, using [3H]-citalopram as radioligand


Bioorg Med Chem Lett 13: 4477-80 (2003)


BindingDB Entry DOI: 10.7270/Q24J0DJH
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50136687
PNG
(CHEMBL141974 | Methyl-[3-(naphthalen-1-yloxy)-3-(3...)
Show SMILES CNCCC(Oc1cccc2ccccc12)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H20F3NO/c1-25-13-12-19(16-8-4-9-17(14-16)21(22,23)24)26-20-11-5-7-15-6-2-3-10-18(15)20/h2-11,14,19,25H,12-13H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
70n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-nisoxatine binding to norepinephrine (NE) transporter


Bioorg Med Chem Lett 13: 4477-80 (2003)


BindingDB Entry DOI: 10.7270/Q24J0DJH
More data for this
Ligand-Target Pair