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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 = 'BDBM50319580'   
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))
BDBM50319580
PNG
((2S)-4-(2,2-Dioxido-3-phenyl-2,1,3-benzothiadiazol...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2ccccc2)S1(=O)=O |r|
Show InChI InChI=1S/C17H21N3O3S/c1-18-13-15(21)11-12-19-16-9-5-6-10-17(16)20(24(19,22)23)14-7-3-2-4-8-14/h2-10,15,18,21H,11-13H2,1H3/t15-/m0/s1
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PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cells


J Med Chem 53: 4511-21 (2010)


Article DOI: 10.1021/jm100053t
BindingDB Entry DOI: 10.7270/Q2PC32JR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50319580
PNG
((2S)-4-(2,2-Dioxido-3-phenyl-2,1,3-benzothiadiazol...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2ccccc2)S1(=O)=O |r|
Show InChI InChI=1S/C17H21N3O3S/c1-18-13-15(21)11-12-19-16-9-5-6-10-17(16)20(24(19,22)23)14-7-3-2-4-8-14/h2-10,15,18,21H,11-13H2,1H3/t15-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


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


J Med Chem 53: 4511-21 (2010)


Article DOI: 10.1021/jm100053t
BindingDB Entry DOI: 10.7270/Q2PC32JR
More data for this
Ligand-Target Pair