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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 = 'BDBM50062156'   
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


(Rattus norvegicus (rat))		BDBM50062156
PNG
(CHEMBL3397081)
Show SMILES Fc1ccc2[nH]cc(C3=CCN(CCCCn4c(=O)c(-c5ccccc5F)c5ccccn5c4=O)CC3)c2c1 |t:8,(17.11,-.26,;16.72,-1.43,;17.74,-2.57,;17.26,-4.06,;15.74,-4.35,;14.96,-5.67,;13.48,-5.36,;13.34,-3.84,;12,-3.07,;12,-1.53,;10.67,-.76,;9.34,-1.53,;8,-.76,;6.67,-1.53,;5.33,-.76,;4,-1.54,;2.66,-.77,;2.66,.77,;3.73,1.38,;1.33,1.54,;1.33,3.08,;-0,3.85,;-.01,5.39,;1.33,6.16,;2.66,5.39,;2.66,3.85,;3.73,3.24,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-2.77,;9.34,-3.07,;10.67,-3.84,;14.72,-3.2,;15.19,-1.73,)|
Show InChI InChI=1S/C31H28F2N4O2/c32-22-10-11-27-24(19-22)25(20-34-27)21-12-17-35(18-13-21)14-5-6-16-37-30(38)29(23-7-1-2-8-26(23)33)28-9-3-4-15-36(28)31(37)39/h1-4,7-12,15,19-20,34H,5-6,13-14,16-18H2
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 3.90n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from rat brain cerebral cortex SERT by liquid scintillation counting analysis

Eur J Med Chem 90: 21-32 (2015)


Article DOI: 10.1016/j.ejmech.2014.10.069
BindingDB Entry DOI: 10.7270/Q2VQ34CB
More data for this
Ligand-Target Pair