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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 = 'BDBM50080567'   
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))
BDBM50080567
PNG
(CHEMBL121027 | N-(2-Benzhydryloxy-ethyl)-N'-[2-(4-...)
Show SMILES CN(CCOC(c1ccccc1)c1ccccc1)CCN(C)CCc1ccc(F)cc1
Show InChI InChI=1S/C27H33FN2O/c1-29(18-17-23-13-15-26(28)16-14-23)19-20-30(2)21-22-31-27(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-16,27H,17-22H2,1-2H3
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KEGG

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CHEMBL
PC cid
PC sid
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Similars

Article
PubMed
370n/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))
BDBM50080567
PNG
(CHEMBL121027 | N-(2-Benzhydryloxy-ethyl)-N'-[2-(4-...)
Show SMILES CN(CCOC(c1ccccc1)c1ccccc1)CCN(C)CCc1ccc(F)cc1
Show InChI InChI=1S/C27H33FN2O/c1-29(18-17-23-13-15-26(28)16-14-23)19-20-30(2)21-22-31-27(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-16,27H,17-22H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 279n/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