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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transporter' and Ligand = 'BDBM50309172'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Transporter


(Rattus norvegicus (rat))
BDBM50309172
PNG
((1R,2S)-2-(4-benzylpiperazin-1-yl)-1-(5-chloro-6-m...)
Show SMILES COc1ccc2cc(ccc2c1Cl)[C@@H](O)[C@H](C)N1CCN(Cc2ccccc2)CC1 |r|
Show InChI InChI=1S/C25H29ClN2O2/c1-18(28-14-12-27(13-15-28)17-19-6-4-3-5-7-19)25(29)21-8-10-22-20(16-21)9-11-23(30-2)24(22)26/h3-11,16,18,25,29H,12-15,17H2,1-2H3/t18-,25-/m0/s1
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PC sid
UniChem

Similars

Article
PubMed
n/an/a 185n/an/an/an/an/an/a



Institute of Pharmaceutical Industry

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine reuptake at rat brain frontal cortex norepinephrine transporter


Bioorg Med Chem Lett 20: 1256-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.108
BindingDB Entry DOI: 10.7270/Q26T0MR2
More data for this
Ligand-Target Pair