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BDBM50057121 (2-Benzo[1,3]dioxol-5-yl-ethyl)-(7-methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-amine::CHEMBL10027

SMILES: COc1ccc2CCCC(CN(C)CCc3ccc4OCOc4c3)c2c1

InChI Key: InChIKey=YXHGDLXUJHNIIO-UHFFFAOYNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50057121   
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
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50057121
PNG
((2-Benzo[1,3]dioxol-5-yl-ethyl)-(7-methoxy-1,2,3,4...)
Show SMILES COc1ccc2CCCC(CN(C)CCc3ccc4OCOc4c3)c2c1
Show InChI InChI=1/C22H27NO3/c1-23(11-10-16-6-9-21-22(12-16)26-15-25-21)14-18-5-3-4-17-7-8-19(24-2)13-20(17)18/h6-9,12-13,18H,3-5,10-11,14-15H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.42E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of uptake of [3H]-5-HT in synaptosomes from rat cortex


J Med Chem 40: 1049-62 (1997)


Article DOI: 10.1021/jm960723m
BindingDB Entry DOI: 10.7270/Q2CF9P6W
More data for this
Ligand-Target Pair