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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 = 'BDBM50182565'   
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))
BDBM50182565
PNG
(4-methyl-2-pyrrolidin-1-yl-1-(4-methylphenyl)penta...)
Show SMILES CC(C)CC(N1CCCC1)C(=O)c1ccc(C)cc1
Show InChI InChI=1S/C17H25NO/c1-13(2)12-16(18-10-4-5-11-18)17(19)15-8-6-14(3)7-9-15/h6-9,13,16H,4-5,10-12H2,1-3H3
PDB

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KEGG

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
259n/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))
BDBM50182565
PNG
(4-methyl-2-pyrrolidin-1-yl-1-(4-methylphenyl)penta...)
Show SMILES CC(C)CC(N1CCCC1)C(=O)c1ccc(C)cc1
Show InChI InChI=1S/C17H25NO/c1-13(2)12-16(18-10-4-5-11-18)17(19)15-8-6-14(3)7-9-15/h6-9,13,16H,4-5,10-12H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 18n/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