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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Monoamine transporters; Norepinephrine & serotonin' and Ligand = 'BDBM50135244'   
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
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50135244
PNG
((S)-1-[(2S,4R)-4-(6-Fluoro-benzo[b]thiophen-2-yl)-...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2ccc(F)cc2s1
Show InChI InChI=1S/C26H29FN2O2S/c1-16-10-22-23(28-16)4-3-5-24(22)31-15-21(30)14-29-9-8-19(11-17(29)2)25-12-18-6-7-20(27)13-26(18)32-25/h3-7,10,12-13,17,19,21,28,30H,8-9,11,14-15H2,1-2H3/t17-,19+,21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
0.390n/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