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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 = 'BDBM50264028'   
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))		BDBM50264028
PNG
(3-((dimethylamino)methyl)-N-methyl-4-(4-(methylsul...)
Show SMILES CNS(=O)(=O)c1ccc(Oc2ccc(cc2)S(C)=O)c(CN(C)C)c1
Show InChI InChI=1S/C17H22N2O4S2/c1-18-25(21,22)16-9-10-17(13(11-16)12-19(2)3)23-14-5-7-15(8-6-14)24(4)20/h5-11,18H,12H2,1-4H3
PDB

KEGG

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PC cid
PC sid
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Similars
Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells

Bioorg Med Chem Lett 18: 5303-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.040
BindingDB Entry DOI: 10.7270/Q20K28DX
More data for this
Ligand-Target Pair