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BDBM50142839 (R)-2-((R)-Methoxycarbonyl-phenyl-methyl)-piperidinium; chloride::(R)-methyl 2-phenyl-2-((R)-piperidin-2-yl)acetate hydrochloride::CHEMBL904::DEXMETHYLPHENIDATE HYDROCHLORIDE::Focalin::Focalin xr

SMILES: COC(=O)[C@@H]([C@H]1CCCC[NH2+]1)c1ccccc1

InChI Key: InChIKey=DUGOZIWVEXMGBE-CHWSQXEVSA-O

Data: 2 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50142839   
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
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50142839
PNG
((R)-2-((R)-Methoxycarbonyl-phenyl-methyl)-piperidi...)
Show SMILES COC(=O)[C@@H]([C@H]1CCCC[NH2+]1)c1ccccc1
Show InChI InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/p+1/t12-,13-/m1/s1
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PC sid
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Similars

Article
PubMed
75n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from DAT in Sprague-Dawley rat striatum


J Med Chem 50: 2718-31 (2007)

More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50142839
PNG
((R)-2-((R)-Methoxycarbonyl-phenyl-methyl)-piperidi...)
Show SMILES COC(=O)[C@@H]([C@H]1CCCC[NH2+]1)c1ccccc1
Show InChI InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/p+1/t12-,13-/m1/s1
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
270n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in Sprague-Dawley rat cortical tissue


J Med Chem 50: 2718-31 (2007)

More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50142839
PNG
((R)-2-((R)-Methoxycarbonyl-phenyl-methyl)-piperidi...)
Show SMILES COC(=O)[C@@H]([C@H]1CCCC[NH2+]1)c1ccccc1
Show InChI InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/p+1/t12-,13-/m1/s1
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UniProtKB/SwissProt

GoogleScholar
AffyNet 
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 230n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at DAT in Sprague-Dawley rat striatum


J Med Chem 50: 2718-31 (2007)

More data for this
Ligand-Target Pair