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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 = 'BDBM50302909'   
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))
BDBM50302909
PNG
(2-(N-tert-Butylamino)-3'-chlorooctanophenone | CHE...)
Show SMILES CCCCCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C18H28ClNO/c1-5-6-7-8-12-16(20-18(2,3)4)17(21)14-10-9-11-15(19)13-14/h9-11,13,16,20H,5-8,12H2,1-4H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.58E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50302909
PNG
(2-(N-tert-Butylamino)-3'-chlorooctanophenone | CHE...)
Show SMILES CCCCCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C18H28ClNO/c1-5-6-7-8-12-16(20-18(2,3)4)17(21)14-10-9-11-15(19)13-14/h9-11,13,16,20H,5-8,12H2,1-4H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.89E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair