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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 = 'BDBM50128378'   
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))		BDBM50128378
PNG
((S)-1-(1H-Indol-4-yloxy)-3-[4-(3-methyl-benzo[b]th...)
Show SMILES Cc1c(sc2ccccc12)C1CCN(C[C@H](O)COc2cccc3[nH]ccc23)CC1
Show InChI InChI=1S/C25H28N2O2S/c1-17-20-5-2-3-8-24(20)30-25(17)18-10-13-27(14-11-18)15-19(28)16-29-23-7-4-6-22-21(23)9-12-26-22/h2-9,12,18-19,26,28H,10-11,13-16H2,1H3/t19-/m0/s1
PDB

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PC cid
PC sid
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Similars
PubMed
 24n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin [5-HT] reuptake site labeled with [3H]-paroxetine as radioligand

Bioorg Med Chem Lett 13: 1903-5 (2003)


BindingDB Entry DOI: 10.7270/Q2PV6JR6
More data for this
Ligand-Target Pair