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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 = 'BDBM50123081'   
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))
BDBM50123081
PNG
(4-Fluoro-2-{5-[4-(1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES Fc1cccc2C(=O)N(CCCCCN3CCC(=CC3)c3c[nH]c4ccccc34)C(=O)c12 |c:17|
Show InChI InChI=1S/C26H26FN3O2/c27-22-9-6-8-20-24(22)26(32)30(25(20)31)14-5-1-4-13-29-15-11-18(12-16-29)21-17-28-23-10-3-2-7-19(21)23/h2-3,6-11,17,28H,1,4-5,12-16H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.800n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro binding affinity for serotonin reuptake sites in rat frontal cortex membranes by [3H]-paroxetine displacement.


Bioorg Med Chem Lett 13: 405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BSX
More data for this
Ligand-Target Pair