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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 = 'BDBM50426352'   
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))
BDBM50426352
PNG
(CHEMBL2321996)
Show SMILES CN1CC=CC[C@@H](C1)c1ccc(Cl)c(Cl)c1 |r,c:3|
Show InChI InChI=1S/C13H15Cl2N/c1-16-7-3-2-4-11(9-16)10-5-6-12(14)13(15)8-10/h2-3,5-6,8,11H,4,7,9H2,1H3/t11-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
12n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NET expressed in HEK cells


ACS Med Chem Lett 4: 46-51 (2013)


Article DOI: 10.1021/ml300262e
BindingDB Entry DOI: 10.7270/Q2FQ9XXK
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50426352
PNG
(CHEMBL2321996)
Show SMILES CN1CC=CC[C@@H](C1)c1ccc(Cl)c(Cl)c1 |r,c:3|
Show InChI InChI=1S/C13H15Cl2N/c1-16-7-3-2-4-11(9-16)10-5-6-12(14)13(15)8-10/h2-3,5-6,8,11H,4,7,9H2,1H3/t11-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
57n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NET expressed in HEK cells


ACS Med Chem Lett 4: 46-51 (2013)


Article DOI: 10.1021/ml300262e
BindingDB Entry DOI: 10.7270/Q2FQ9XXK
More data for this
Ligand-Target Pair