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BDBM50327120 (+/-)-threo-N-(2-Chlorobenzyl)methylphenidate::CHEMBL1253919

SMILES: COC(=O)[C@@H]([C@H]1CCCCN1Cc1ccccc1Cl)c1ccccc1

InChI Key: InChIKey=AQQXLSKTANRVGK-YLBUIOQXNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50327120   
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; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50327120
PNG
((+/-)-threo-N-(2-Chlorobenzyl)methylphenidate | CH...)
Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1Cc1ccccc1Cl)c1ccccc1
Show InChI InChI=1/C21H24ClNO2/c1-25-21(24)20(16-9-3-2-4-10-16)19-13-7-8-14-23(19)15-17-11-5-6-12-18(17)22/h2-6,9-12,19-20H,7-8,13-15H2,1H3/t19-,20-/s2
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Similars

Article
PubMed
n/an/a 240n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN 35428 from Sprague-Dawley rat striatal tissue after 2 hrs by liquid scintillation counting


Bioorg Med Chem 18: 7221-38 (2010)


Article DOI: 10.1016/j.bmc.2010.08.034
BindingDB Entry DOI: 10.7270/Q24F1QZZ
More data for this
Ligand-Target Pair