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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 = 'BDBM50432297'   
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))		BDBM50432297
PNG
(CHEMBL2347856)
Show SMILES CCN1CCC[C@@](COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C24H27F6NO/c1-2-31-11-6-9-22(10-12-31,19-7-4-3-5-8-19)17-32-16-18-13-20(23(25,26)27)15-21(14-18)24(28,29)30/h3-5,7-8,13-15H,2,6,9-12,16-17H2,1H3/t22-/m0/s1
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Similars
Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human recombinant SERT expressed in HEK293 cells after 1 hr by scintillation counting analysis

Bioorg Med Chem 21: 2217-28 (2013)


Article DOI: 10.1016/j.bmc.2013.02.010
BindingDB Entry DOI: 10.7270/Q2M90B1W
More data for this
Ligand-Target Pair