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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 = 'BDBM50353942'   
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))
BDBM50353942
PNG
(CHEMBL1830892)
Show SMILES Fc1cccc2N(CCC3CNCCO3)S(=O)(=O)N(c12)c1ccccc1F
Show InChI InChI=1S/C18H19F2N3O3S/c19-14-4-1-2-6-16(14)23-18-15(20)5-3-7-17(18)22(27(23,24)25)10-8-13-12-21-9-11-26-13/h1-7,13,21H,8-12H2
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NET expressed in MDCK-Net6 cells assessed as inhibition of norepinephrine uptake


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50353942
PNG
(CHEMBL1830892)
Show SMILES Fc1cccc2N(CCC3CNCCO3)S(=O)(=O)N(c12)c1ccccc1F
Show InChI InChI=1S/C18H19F2N3O3S/c19-14-4-1-2-6-16(14)23-18-15(20)5-3-7-17(18)22(27(23,24)25)10-8-13-12-21-9-11-26-13/h1-7,13,21H,8-12H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair