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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent noradrenaline transporter' and Ligand = 'BDBM50080561'   
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
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50080561
PNG
(CHEMBL121460 | N,N'-Bis-{2-[bis-(4-fluoro-phenyl)-...)
Show SMILES CN(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)CCN(C)CCOC(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C34H36F4N2O2/c1-39(21-23-41-33(25-3-11-29(35)12-4-25)26-5-13-30(36)14-6-26)19-20-40(2)22-24-42-34(27-7-15-31(37)16-8-27)28-9-17-32(38)18-10-28/h3-18,33-34H,19-24H2,1-2H3
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KEGG

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
261n/an/an/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Inhibition of [125I]RTI-55 binding to norepinephrine transporter (NET) expressed in HEK cells


J Med Chem 42: 3647-56 (1999)


Article DOI: 10.1021/jm990161h
BindingDB Entry DOI: 10.7270/Q2BG2PPJ
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50080561
PNG
(CHEMBL121460 | N,N'-Bis-{2-[bis-(4-fluoro-phenyl)-...)
Show SMILES CN(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)CCN(C)CCOC(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C34H36F4N2O2/c1-39(21-23-41-33(25-3-11-29(35)12-4-25)26-5-13-30(36)14-6-26)19-20-40(2)22-24-42-34(27-7-15-31(37)16-8-27)28-9-17-32(38)18-10-28/h3-18,33-34H,19-24H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]- NE uptake in HEK cells expressing norepinephrine transporter


J Med Chem 42: 3647-56 (1999)


Article DOI: 10.1021/jm990161h
BindingDB Entry DOI: 10.7270/Q2BG2PPJ
More data for this
Ligand-Target Pair