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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 = 'BDBM50182573'   
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))
BDBM50182573
PNG
(1-(3,4-dichlorophenyl)-2-pyrrolidin-1-yl-pentan-1-...)
Show SMILES CCCC(N1CCCC1)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H19Cl2NO/c1-2-5-14(18-8-3-4-9-18)15(19)11-6-7-12(16)13(17)10-11/h6-7,10,14H,2-5,8-9H2,1H3
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PC cid
PC sid
UniChem

Similars

Article
PubMed
37.8n/an/an/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human NET expressed in HEK293 cells


J Med Chem 49: 1420-32 (2006)


Article DOI: 10.1021/jm050797a
BindingDB Entry DOI: 10.7270/Q2KK9CKB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50182573
PNG
(1-(3,4-dichlorophenyl)-2-pyrrolidin-1-yl-pentan-1-...)
Show SMILES CCCC(N1CCCC1)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H19Cl2NO/c1-2-5-14(18-8-3-4-9-18)15(19)11-6-7-12(16)13(17)10-11/h6-7,10,14H,2-5,8-9H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H] norepinephrine uptake into human NET expressed in HEK293 cells


J Med Chem 49: 1420-32 (2006)


Article DOI: 10.1021/jm050797a
BindingDB Entry DOI: 10.7270/Q2KK9CKB
More data for this
Ligand-Target Pair