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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent noradrenaline transporter' and Ligand = 'BDBM50373281'   
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))
BDBM50373281
PNG
(CHEMBL402441)
Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC#C)CC#C)c1ccc2OCCOc2c1
Show InChI InChI=1S/C19H20N2O3/c1-3-7-21(8-4-2)18(22)19(12-15(19)13-20)14-5-6-16-17(11-14)24-10-9-23-16/h1-2,5-6,11,15H,7-10,12-13,20H2/t15-,19+/m0/s1
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Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NET


Bioorg Med Chem Lett 18: 3328-32 (2008)

More data for this
Ligand-Target Pair