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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 = 'BDBM50257088'   
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))		BDBM50257088
PNG
(CHEMBL4066784)
Show SMILES C[C@H]1C[C@@H](C)CN(CCCNC(=O)C2CCN(Cc3nc(oc3C)-c3c(C)cccc3Cl)CC2)C1 |r|
Show InChI InChI=1S/C28H41ClN4O2/c1-19-15-20(2)17-33(16-19)12-6-11-30-27(34)23-9-13-32(14-10-23)18-25-22(4)35-28(31-25)26-21(3)7-5-8-24(26)29/h5,7-8,19-20,23H,6,9-18H2,1-4H3,(H,30,34)/t19-,20+
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Similars
Article
PubMed
 1.29E+3n/an/an/an/an/an/an/an/a



Liver Diseases Branch, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health , 10 Center Drive, Bethesda, Maryland 20892-1800, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]Nisoxetine from human NET receptor expressed in HEK cell membranes after 90 mins by scintillation counting method

J Med Chem 60: 6364-6383 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00561
BindingDB Entry DOI: 10.7270/Q2DR2XXZ
More data for this
Ligand-Target Pair