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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transporter' and Ligand = 'BDBM50264063'   
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))		BDBM50264063
PNG
((2R,3S)-iodoreboxetine | (R)-2-((S)-(2-ethoxypheno...)
Show SMILES CCOc1ccccc1O[C@H]([C@H]1CNCCO1)c1ccc(I)cc1 |r|
Show InChI InChI=1S/C19H22INO3/c1-2-22-16-5-3-4-6-17(16)24-19(18-13-21-11-12-23-18)14-7-9-15(20)10-8-14/h3-10,18-19,21H,2,11-13H2,1H3/t18-,19+/m1/s1
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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 58.2n/an/an/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NAT in Sprague-Dawley rat brain after 4 hrs by liquid scintillation analysis

Bioorg Med Chem Lett 19: 4996-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.064
BindingDB Entry DOI: 10.7270/Q22V2G5N
More data for this
Ligand-Target Pair