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BDBM50254048 (R)-N-methyl-4-(naphthalen-1-yl)-4-(thiophen-2-yl)butan-1-amine hydrochloride::CHEMBL459519

SMILES: CNCCC[C@@H](c1cccs1)c1cccc2ccccc12

InChI Key: InChIKey=JPEHRAJRTLFJDP-LGWFVXIRNA-N

Data: 2 KI  1 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 3 hits for monomerid = 50254048   
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))
BDBM50254048
PNG
((R)-N-methyl-4-(naphthalen-1-yl)-4-(thiophen-2-yl)...)
Show SMILES CNCCC[C@@H](c1cccs1)c1cccc2ccccc12
Show InChI InChI=1/C19H21NS/c1-20-13-5-11-18(19-12-6-14-21-19)17-10-4-8-15-7-2-3-9-16(15)17/h2-4,6-10,12,14,18,20H,5,11,13H2,1H3/t18-/s2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.5n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT in Sprague-dawley rat frontal cortex by liquid scintillation spectrophotometry


Bioorg Med Chem Lett 19: 58-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.022
BindingDB Entry DOI: 10.7270/Q2N58N95
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50254048
PNG
((R)-N-methyl-4-(naphthalen-1-yl)-4-(thiophen-2-yl)...)
Show SMILES CNCCC[C@@H](c1cccs1)c1cccc2ccccc12
Show InChI InChI=1/C19H21NS/c1-20-13-5-11-18(19-12-6-14-21-19)17-10-4-8-15-7-2-3-9-16(15)17/h2-4,6-10,12,14,18,20H,5,11,13H2,1H3/t18-/s2
Reactome pathway

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
109n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from Sprague-dawley rat NET by liquid scintillation spectrophotometry


Bioorg Med Chem Lett 19: 58-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.022
BindingDB Entry DOI: 10.7270/Q2N58N95
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50254048
PNG
((R)-N-methyl-4-(naphthalen-1-yl)-4-(thiophen-2-yl)...)
Show SMILES CNCCC[C@@H](c1cccs1)c1cccc2ccccc12
Show InChI InChI=1/C19H21NS/c1-20-13-5-11-18(19-12-6-14-21-19)17-10-4-8-15-7-2-3-9-16(15)17/h2-4,6-10,12,14,18,20H,5,11,13H2,1H3/t18-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 405n/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from DAT in Sprague-dawley rat striatum by liquid scintillation spectrophotometry


Bioorg Med Chem Lett 19: 58-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.022
BindingDB Entry DOI: 10.7270/Q2N58N95
More data for this
Ligand-Target Pair