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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 = 'BDBM50135266'   
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))		BDBM50135266
PNG
((S)-1-[(1R,3S,5S)-3-(4-Methoxy-benzo[b]thiophen-2-...)
Show SMILES COc1cccc2sc(cc12)[C@H]1C[C@@H]2CC[C@H](C1)N2C[C@H](O)COc1cccc2[nH]c(C)cc12 |THB:19:18:11.12.17:15.14|
Show InChI InChI=1S/C28H32N2O3S/c1-17-11-22-24(29-17)5-3-7-26(22)33-16-21(31)15-30-19-9-10-20(30)13-18(12-19)28-14-23-25(32-2)6-4-8-27(23)34-28/h3-8,11,14,18-21,29,31H,9-10,12-13,15-16H2,1-2H3/t18-,19-,20+,21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.690n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Affinity at the 5-HT reuptake site labeled with [3H]-paroxetine using rat frontal cortex membranes

Bioorg Med Chem Lett 13: 3939-42 (2003)


BindingDB Entry DOI: 10.7270/Q24T6HSX
More data for this
Ligand-Target Pair