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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 = 'BDBM50307457'   
Target
(Institution)
LigandTarget
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))
BDBM50307457
PNG
((1S,2R)-1-(3,3-Dimethyl-2,3-dihydro-1H-indol-1-yl)...)
Show SMILES CNC[C@@H](O)[C@@H](N1CC(C)(C)c2ccccc12)c1cccc(F)c1
Show InChI InChI=1S/C20H25FN2O/c1-20(2)13-23(17-10-5-4-9-16(17)20)19(18(24)12-22-3)14-7-6-8-15(21)11-14/h4-11,18-19,22,24H,12-13H2,1-3H3/t18-,19+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2.60n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50307457
PNG
((1S,2R)-1-(3,3-Dimethyl-2,3-dihydro-1H-indol-1-yl)...)
Show SMILES CNC[C@@H](O)[C@@H](N1CC(C)(C)c2ccccc12)c1cccc(F)c1
Show InChI InChI=1S/C20H25FN2O/c1-20(2)13-23(17-10-5-4-9-16(17)20)19(18(24)12-22-3)14-7-6-8-15(21)11-14/h4-11,18-19,22,24H,12-13H2,1-3H3/t18-,19+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 6.30n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Citation and Details
More data for this
Ligand-Target Pair