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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50495103'   
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 serotonin transporter


(Homo sapiens (Human))		BDBM50495103
PNG
(CHEMBL3105243)
Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(I)cc1)C(=O)OCCF)N2C\C=C\I |r|
Show InChI InChI=1S/C19H22FI2NO2/c20-8-11-25-19(24)18-16(13-2-4-14(22)5-3-13)12-15-6-7-17(18)23(15)10-1-9-21/h1-5,9,15-18H,6-8,10-12H2/b9-1+/t15-,16+,17+,18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
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PC cid
PC sid
UniChem
Article
PubMed
 2.40n/an/an/an/an/an/an/an/a



Medical University of Vienna

Curated by ChEMBL


Assay Description
Displacement of [3H]Nisoxetine from human SERT after 2 hrs by liquid scintillation counting analysis

Bioorg Med Chem 21: 7562-9 (2013)


Article DOI: 10.1016/j.bmc.2013.10.046
BindingDB Entry DOI: 10.7270/Q27P92BD
More data for this
Ligand-Target Pair