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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 = 'BDBM50313550'   
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))
BDBM50313550
PNG
(CHEMBL1085198 | CHEMBL1204412 | {3-[1-(2,6-Difluor...)
Show SMILES CNCCCC1Cc2ccccc2N(c2c(F)cccc2F)S1(=O)=O
Show InChI InChI=1S/C18H20F2N2O2S/c1-21-11-5-7-14-12-13-6-2-3-10-17(13)22(25(14,23)24)18-15(19)8-4-9-16(18)20/h2-4,6,8-10,14,21H,5,7,11-12H2,1H3
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Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 20: 1555-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.056
BindingDB Entry DOI: 10.7270/Q2FN175Q
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50313550
PNG
(CHEMBL1085198 | CHEMBL1204412 | {3-[1-(2,6-Difluor...)
Show SMILES CNCCCC1Cc2ccccc2N(c2c(F)cccc2F)S1(=O)=O
Show InChI InChI=1S/C18H20F2N2O2S/c1-21-11-5-7-14-12-13-6-2-3-10-17(13)22(25(14,23)24)18-15(19)8-4-9-16(18)20/h2-4,6,8-10,14,21H,5,7,11-12H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 52n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 20: 1555-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.056
BindingDB Entry DOI: 10.7270/Q2FN175Q
More data for this
Ligand-Target Pair